USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1085 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 88 SER OG : rot -101:sc= 0.369 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -0.707 K(o=-1,f=-2.9) USER MOD Set 1.3: A 142 CYS SG : rot 3:sc= -0.904 USER MOD Set 1.4: A 187 SER OG : rot 122:sc= 0.208 USER MOD Single : A 61 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 71 THR OG1 : rot 65:sc= 2.04 USER MOD Single : A 73 GLN : amide:sc= -4.3! C(o=-4.3!,f=-3.3!) USER MOD Single : A 79 MET CE :methyl 170:sc= 0 (180deg=-0.0553) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= -1.24 (180deg=-2.01) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= -2.58 (180deg=-2.58) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.394 K(o=-0.39,f=-0.93) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -4.24! K(o=-4.2!,f=0.19) USER MOD Single : A 107 GLN : amide:sc= -0.583 K(o=-0.58,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.598 K(o=-0.6,f=-2.5!) USER MOD Single : A 117 THR OG1 : rot -102:sc= 0.787 USER MOD Single : A 118 GLN : amide:sc= -14.1! C(o=-14!,f=-14!) USER MOD Single : A 120 TYR OH : rot 180:sc= -0.0658 USER MOD Single : A 125 GLN : amide:sc= -3.47! C(o=-3.5!,f=-4.2!) USER MOD Single : A 126 ASN : amide:sc= -5.07! K(o=-5.1!,f=-3) USER MOD Single : A 127 TYR OH : rot -131:sc= 0.325 USER MOD Single : A 128 THR OG1 : rot 30:sc= 0.116 USER MOD Single : A 135 TYR OH : rot 165:sc= -0.012 USER MOD Single : A 138 THR OG1 : rot -148:sc= 1.27 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ -119:sc=-0.00646 (180deg=-1.68!) USER MOD Single : A 157 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 LYS NZ :NH3+ -145:sc= -0.0762 (180deg=-0.788) USER MOD Single : A 192 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.0077) USER MOD Single : A 193 HIS : no HE2:sc= -0.586 X(o=-0.59,f=-0.61) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 199 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-1.9) USER MOD Single : A 202 TYR OH : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 169:sc=-0.00769 (180deg=-0.189) USER MOD Single : A 205 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 56 7.199 14.584 1.255 1.00 4.61 N ATOM 2 CA ALA A 56 6.106 15.113 0.391 1.00 3.98 C ATOM 3 C ALA A 56 6.049 14.311 -0.911 1.00 3.15 C ATOM 4 O ALA A 56 5.655 14.815 -1.944 1.00 3.23 O ATOM 5 CB ALA A 56 6.377 16.585 0.070 1.00 4.70 C ATOM 0 HA ALA A 56 5.154 15.023 0.915 1.00 3.98 H new ATOM 0 HB1 ALA A 56 5.578 16.973 -0.562 1.00 4.70 H new ATOM 0 HB2 ALA A 56 6.417 17.158 0.996 1.00 4.70 H new ATOM 0 HB3 ALA A 56 7.329 16.674 -0.453 1.00 4.70 H new ATOM 11 N TRP A 57 6.436 13.066 -0.870 1.00 2.75 N ATOM 12 CA TRP A 57 6.401 12.237 -2.109 1.00 2.31 C ATOM 13 C TRP A 57 4.948 11.900 -2.448 1.00 1.71 C ATOM 14 O TRP A 57 4.640 11.473 -3.543 1.00 2.05 O ATOM 15 CB TRP A 57 7.200 10.947 -1.893 1.00 2.59 C ATOM 16 CG TRP A 57 6.683 10.215 -0.693 1.00 2.15 C ATOM 17 CD1 TRP A 57 6.923 10.560 0.595 1.00 2.38 C ATOM 18 CD2 TRP A 57 5.856 9.016 -0.646 1.00 1.56 C ATOM 19 NE1 TRP A 57 6.290 9.653 1.426 1.00 2.03 N ATOM 20 CE2 TRP A 57 5.621 8.683 0.710 1.00 1.45 C ATOM 21 CE3 TRP A 57 5.291 8.194 -1.638 1.00 1.38 C ATOM 22 CZ2 TRP A 57 4.853 7.574 1.068 1.00 1.05 C ATOM 23 CZ3 TRP A 57 4.519 7.077 -1.280 1.00 1.05 C ATOM 24 CH2 TRP A 57 4.300 6.767 0.070 1.00 0.77 C ATOM 0 H TRP A 57 6.774 12.587 -0.035 1.00 2.75 H new ATOM 0 HA TRP A 57 6.846 12.793 -2.934 1.00 2.31 H new ATOM 0 HB2 TRP A 57 7.125 10.312 -2.776 1.00 2.59 H new ATOM 0 HB3 TRP A 57 8.256 11.182 -1.758 1.00 2.59 H new ATOM 0 HD1 TRP A 57 7.512 11.405 0.920 1.00 2.38 H new ATOM 0 HE1 TRP A 57 6.315 9.697 2.445 1.00 2.03 H new ATOM 0 HE3 TRP A 57 5.452 8.423 -2.681 1.00 1.38 H new ATOM 0 HZ2 TRP A 57 4.687 7.341 2.109 1.00 1.05 H new ATOM 0 HZ3 TRP A 57 4.091 6.452 -2.050 1.00 1.05 H new ATOM 0 HH2 TRP A 57 3.705 5.906 0.338 1.00 0.77 H new ATOM 35 N LEU A 58 4.051 12.100 -1.521 1.00 1.60 N ATOM 36 CA LEU A 58 2.615 11.805 -1.790 1.00 1.99 C ATOM 37 C LEU A 58 1.993 13.009 -2.510 1.00 2.51 C ATOM 38 O LEU A 58 1.025 12.882 -3.234 1.00 3.09 O ATOM 39 CB LEU A 58 1.878 11.541 -0.458 1.00 2.55 C ATOM 40 CG LEU A 58 2.565 12.314 0.696 1.00 2.63 C ATOM 41 CD1 LEU A 58 1.534 12.658 1.780 1.00 2.73 C ATOM 42 CD2 LEU A 58 3.681 11.453 1.318 1.00 3.22 C ATOM 0 H LEU A 58 4.252 12.456 -0.586 1.00 1.60 H new ATOM 0 HA LEU A 58 2.526 10.918 -2.417 1.00 1.99 H new ATOM 0 HB2 LEU A 58 0.836 11.850 -0.543 1.00 2.55 H new ATOM 0 HB3 LEU A 58 1.877 10.473 -0.240 1.00 2.55 H new ATOM 0 HG LEU A 58 2.995 13.231 0.294 1.00 2.63 H new ATOM 0 HD11 LEU A 58 2.023 13.201 2.588 1.00 2.73 H new ATOM 0 HD12 LEU A 58 0.747 13.278 1.350 1.00 2.73 H new ATOM 0 HD13 LEU A 58 1.098 11.739 2.172 1.00 2.73 H new ATOM 0 HD21 LEU A 58 4.158 12.005 2.128 1.00 3.22 H new ATOM 0 HD22 LEU A 58 3.253 10.531 1.710 1.00 3.22 H new ATOM 0 HD23 LEU A 58 4.423 11.213 0.556 1.00 3.22 H new ATOM 54 N GLU A 59 2.543 14.177 -2.313 1.00 2.68 N ATOM 55 CA GLU A 59 1.991 15.389 -2.980 1.00 3.25 C ATOM 56 C GLU A 59 2.427 15.407 -4.450 1.00 3.14 C ATOM 57 O GLU A 59 2.539 16.451 -5.062 1.00 3.52 O ATOM 58 CB GLU A 59 2.513 16.643 -2.263 1.00 3.87 C ATOM 59 CG GLU A 59 1.589 17.833 -2.547 1.00 4.68 C ATOM 60 CD GLU A 59 2.206 19.108 -1.971 1.00 5.43 C ATOM 61 OE1 GLU A 59 3.148 18.992 -1.203 1.00 5.92 O ATOM 62 OE2 GLU A 59 1.728 20.178 -2.308 1.00 5.81 O ATOM 0 H GLU A 59 3.354 14.343 -1.717 1.00 2.68 H new ATOM 0 HA GLU A 59 0.902 15.373 -2.932 1.00 3.25 H new ATOM 0 HB2 GLU A 59 2.567 16.462 -1.189 1.00 3.87 H new ATOM 0 HB3 GLU A 59 3.525 16.869 -2.599 1.00 3.87 H new ATOM 0 HG2 GLU A 59 1.439 17.942 -3.621 1.00 4.68 H new ATOM 0 HG3 GLU A 59 0.608 17.659 -2.104 1.00 4.68 H new ATOM 69 N ALA A 60 2.674 14.260 -5.021 1.00 3.25 N ATOM 70 CA ALA A 60 3.101 14.218 -6.448 1.00 3.79 C ATOM 71 C ALA A 60 1.911 14.574 -7.342 1.00 3.93 C ATOM 72 O ALA A 60 1.706 13.982 -8.383 1.00 4.34 O ATOM 73 CB ALA A 60 3.600 12.813 -6.792 1.00 4.57 C ATOM 0 H ALA A 60 2.599 13.352 -4.562 1.00 3.25 H new ATOM 0 HA ALA A 60 3.906 14.935 -6.610 1.00 3.79 H new ATOM 0 HB1 ALA A 60 3.912 12.783 -7.836 1.00 4.57 H new ATOM 0 HB2 ALA A 60 4.446 12.561 -6.153 1.00 4.57 H new ATOM 0 HB3 ALA A 60 2.798 12.093 -6.633 1.00 4.57 H new ATOM 79 N GLN A 61 1.124 15.535 -6.943 1.00 4.11 N ATOM 80 CA GLN A 61 -0.053 15.929 -7.767 1.00 4.74 C ATOM 81 C GLN A 61 0.399 16.216 -9.199 1.00 4.98 C ATOM 82 O GLN A 61 -0.061 15.600 -10.140 1.00 5.45 O ATOM 83 CB GLN A 61 -0.690 17.188 -7.173 1.00 5.31 C ATOM 84 CG GLN A 61 -1.995 17.500 -7.911 1.00 5.77 C ATOM 85 CD GLN A 61 -2.586 18.804 -7.373 1.00 6.31 C ATOM 86 OE1 GLN A 61 -2.964 19.673 -8.134 1.00 6.59 O ATOM 87 NE2 GLN A 61 -2.678 18.982 -6.084 1.00 6.81 N ATOM 0 H GLN A 61 1.246 16.065 -6.080 1.00 4.11 H new ATOM 0 HA GLN A 61 -0.781 15.118 -7.772 1.00 4.74 H new ATOM 0 HB2 GLN A 61 -0.887 17.042 -6.111 1.00 5.31 H new ATOM 0 HB3 GLN A 61 -0.003 18.030 -7.257 1.00 5.31 H new ATOM 0 HG2 GLN A 61 -1.808 17.587 -8.981 1.00 5.77 H new ATOM 0 HG3 GLN A 61 -2.705 16.684 -7.777 1.00 5.77 H new ATOM 0 HE21 GLN A 61 -2.361 18.253 -5.445 1.00 6.81 H new ATOM 0 HE22 GLN A 61 -3.067 19.850 -5.715 1.00 6.81 H new ATOM 96 N GLU A 62 1.297 17.149 -9.372 1.00 5.00 N ATOM 97 CA GLU A 62 1.777 17.480 -10.744 1.00 5.58 C ATOM 98 C GLU A 62 3.177 18.093 -10.660 1.00 5.55 C ATOM 99 O GLU A 62 4.154 17.489 -11.053 1.00 5.67 O ATOM 100 CB GLU A 62 0.820 18.488 -11.386 1.00 6.14 C ATOM 101 CG GLU A 62 1.169 18.661 -12.866 1.00 6.74 C ATOM 102 CD GLU A 62 0.385 19.844 -13.439 1.00 7.42 C ATOM 103 OE1 GLU A 62 -0.756 20.020 -13.045 1.00 7.69 O ATOM 104 OE2 GLU A 62 0.941 20.555 -14.260 1.00 7.91 O ATOM 0 H GLU A 62 1.719 17.696 -8.622 1.00 5.00 H new ATOM 0 HA GLU A 62 1.812 16.573 -11.347 1.00 5.58 H new ATOM 0 HB2 GLU A 62 -0.209 18.143 -11.283 1.00 6.14 H new ATOM 0 HB3 GLU A 62 0.888 19.447 -10.872 1.00 6.14 H new ATOM 0 HG2 GLU A 62 2.240 18.830 -12.981 1.00 6.74 H new ATOM 0 HG3 GLU A 62 0.929 17.751 -13.416 1.00 6.74 H new ATOM 111 N GLU A 63 3.279 19.290 -10.151 1.00 5.72 N ATOM 112 CA GLU A 63 4.613 19.944 -10.043 1.00 6.01 C ATOM 113 C GLU A 63 5.409 19.299 -8.908 1.00 5.97 C ATOM 114 O GLU A 63 5.121 19.498 -7.744 1.00 6.17 O ATOM 115 CB GLU A 63 4.427 21.435 -9.754 1.00 6.54 C ATOM 116 CG GLU A 63 5.786 22.137 -9.796 1.00 6.72 C ATOM 117 CD GLU A 63 5.603 23.623 -9.481 1.00 7.22 C ATOM 118 OE1 GLU A 63 4.538 23.981 -9.006 1.00 7.44 O ATOM 119 OE2 GLU A 63 6.531 24.378 -9.722 1.00 7.67 O ATOM 0 H GLU A 63 2.495 19.844 -9.805 1.00 5.72 H new ATOM 0 HA GLU A 63 5.155 19.820 -10.980 1.00 6.01 H new ATOM 0 HB2 GLU A 63 3.754 21.877 -10.489 1.00 6.54 H new ATOM 0 HB3 GLU A 63 3.965 21.572 -8.776 1.00 6.54 H new ATOM 0 HG2 GLU A 63 6.465 21.682 -9.074 1.00 6.72 H new ATOM 0 HG3 GLU A 63 6.239 22.016 -10.780 1.00 6.72 H new ATOM 126 N GLU A 64 6.412 18.531 -9.233 1.00 6.07 N ATOM 127 CA GLU A 64 7.226 17.882 -8.168 1.00 6.34 C ATOM 128 C GLU A 64 7.859 18.963 -7.290 1.00 6.12 C ATOM 129 O GLU A 64 7.784 20.139 -7.588 1.00 6.31 O ATOM 130 CB GLU A 64 8.326 17.035 -8.811 1.00 6.85 C ATOM 131 CG GLU A 64 9.101 17.884 -9.820 1.00 7.36 C ATOM 132 CD GLU A 64 10.188 17.033 -10.477 1.00 8.01 C ATOM 133 OE1 GLU A 64 11.174 16.753 -9.814 1.00 8.39 O ATOM 134 OE2 GLU A 64 10.017 16.675 -11.630 1.00 8.36 O ATOM 0 H GLU A 64 6.703 18.325 -10.189 1.00 6.07 H new ATOM 0 HA GLU A 64 6.589 17.242 -7.558 1.00 6.34 H new ATOM 0 HB2 GLU A 64 9.002 16.655 -8.045 1.00 6.85 H new ATOM 0 HB3 GLU A 64 7.889 16.169 -9.308 1.00 6.85 H new ATOM 0 HG2 GLU A 64 8.423 18.275 -10.578 1.00 7.36 H new ATOM 0 HG3 GLU A 64 9.549 18.743 -9.320 1.00 7.36 H new ATOM 141 N GLU A 65 8.483 18.579 -6.207 1.00 6.04 N ATOM 142 CA GLU A 65 9.121 19.591 -5.311 1.00 6.09 C ATOM 143 C GLU A 65 10.334 18.971 -4.621 1.00 5.38 C ATOM 144 O GLU A 65 10.896 19.535 -3.702 1.00 5.46 O ATOM 145 CB GLU A 65 8.108 20.054 -4.258 1.00 6.80 C ATOM 146 CG GLU A 65 7.473 18.837 -3.578 1.00 7.45 C ATOM 147 CD GLU A 65 6.449 18.198 -4.519 1.00 7.99 C ATOM 148 OE1 GLU A 65 5.421 18.813 -4.750 1.00 8.13 O ATOM 149 OE2 GLU A 65 6.710 17.104 -4.991 1.00 8.49 O ATOM 0 H GLU A 65 8.579 17.610 -5.904 1.00 6.04 H new ATOM 0 HA GLU A 65 9.443 20.448 -5.903 1.00 6.09 H new ATOM 0 HB2 GLU A 65 8.602 20.680 -3.515 1.00 6.80 H new ATOM 0 HB3 GLU A 65 7.336 20.664 -4.727 1.00 6.80 H new ATOM 0 HG2 GLU A 65 8.243 18.112 -3.316 1.00 7.45 H new ATOM 0 HG3 GLU A 65 6.989 19.138 -2.649 1.00 7.45 H new ATOM 156 N VAL A 66 10.747 17.819 -5.065 1.00 4.95 N ATOM 157 CA VAL A 66 11.921 17.156 -4.464 1.00 4.48 C ATOM 158 C VAL A 66 13.178 17.685 -5.141 1.00 4.72 C ATOM 159 O VAL A 66 13.129 18.289 -6.194 1.00 5.03 O ATOM 160 CB VAL A 66 11.813 15.645 -4.679 1.00 4.18 C ATOM 161 CG1 VAL A 66 13.081 14.957 -4.165 1.00 3.90 C ATOM 162 CG2 VAL A 66 10.599 15.110 -3.916 1.00 4.35 C ATOM 0 H VAL A 66 10.310 17.306 -5.831 1.00 4.95 H new ATOM 0 HA VAL A 66 11.964 17.362 -3.394 1.00 4.48 H new ATOM 0 HB VAL A 66 11.698 15.439 -5.743 1.00 4.18 H new ATOM 0 HG11 VAL A 66 13.000 13.881 -4.320 1.00 3.90 H new ATOM 0 HG12 VAL A 66 13.947 15.337 -4.707 1.00 3.90 H new ATOM 0 HG13 VAL A 66 13.200 15.162 -3.101 1.00 3.90 H new ATOM 0 HG21 VAL A 66 10.520 14.033 -4.067 1.00 4.35 H new ATOM 0 HG22 VAL A 66 10.716 15.319 -2.853 1.00 4.35 H new ATOM 0 HG23 VAL A 66 9.695 15.596 -4.284 1.00 4.35 H new ATOM 172 N GLY A 67 14.297 17.455 -4.544 1.00 4.94 N ATOM 173 CA GLY A 67 15.578 17.930 -5.138 1.00 5.45 C ATOM 174 C GLY A 67 15.786 17.249 -6.490 1.00 5.43 C ATOM 175 O GLY A 67 14.940 17.305 -7.359 1.00 5.79 O ATOM 0 H GLY A 67 14.390 16.954 -3.660 1.00 4.94 H new ATOM 0 HA2 GLY A 67 15.556 19.013 -5.262 1.00 5.45 H new ATOM 0 HA3 GLY A 67 16.409 17.702 -4.471 1.00 5.45 H new ATOM 179 N PHE A 68 16.902 16.595 -6.676 1.00 5.26 N ATOM 180 CA PHE A 68 17.155 15.902 -7.971 1.00 5.45 C ATOM 181 C PHE A 68 18.102 14.710 -7.762 1.00 4.79 C ATOM 182 O PHE A 68 18.989 14.476 -8.560 1.00 4.49 O ATOM 183 CB PHE A 68 17.783 16.889 -8.960 1.00 6.13 C ATOM 184 CG PHE A 68 18.825 17.717 -8.248 1.00 6.37 C ATOM 185 CD1 PHE A 68 18.439 18.843 -7.514 1.00 6.71 C ATOM 186 CD2 PHE A 68 20.177 17.361 -8.325 1.00 6.59 C ATOM 187 CE1 PHE A 68 19.403 19.615 -6.855 1.00 7.20 C ATOM 188 CE2 PHE A 68 21.142 18.133 -7.666 1.00 7.13 C ATOM 189 CZ PHE A 68 20.754 19.260 -6.931 1.00 7.40 C ATOM 0 H PHE A 68 17.649 16.511 -5.986 1.00 5.26 H new ATOM 0 HA PHE A 68 16.209 15.534 -8.368 1.00 5.45 H new ATOM 0 HB2 PHE A 68 18.237 16.349 -9.791 1.00 6.13 H new ATOM 0 HB3 PHE A 68 17.014 17.536 -9.382 1.00 6.13 H new ATOM 0 HD1 PHE A 68 17.396 19.117 -7.456 1.00 6.71 H new ATOM 0 HD2 PHE A 68 20.475 16.492 -8.892 1.00 6.59 H new ATOM 0 HE1 PHE A 68 19.104 20.484 -6.288 1.00 7.20 H new ATOM 0 HE2 PHE A 68 22.185 17.859 -7.725 1.00 7.13 H new ATOM 0 HZ PHE A 68 21.498 19.855 -6.423 1.00 7.40 H new ATOM 199 N PRO A 69 17.912 13.948 -6.711 1.00 4.86 N ATOM 200 CA PRO A 69 18.763 12.754 -6.426 1.00 4.45 C ATOM 201 C PRO A 69 18.514 11.639 -7.450 1.00 4.09 C ATOM 202 O PRO A 69 17.490 10.986 -7.427 1.00 4.61 O ATOM 203 CB PRO A 69 18.313 12.316 -5.023 1.00 5.21 C ATOM 204 CG PRO A 69 16.907 12.807 -4.913 1.00 5.88 C ATOM 205 CD PRO A 69 16.873 14.129 -5.678 1.00 5.67 C ATOM 0 HA PRO A 69 19.829 12.975 -6.483 1.00 4.45 H new ATOM 0 HB2 PRO A 69 18.366 11.233 -4.909 1.00 5.21 H new ATOM 0 HB3 PRO A 69 18.947 12.749 -4.249 1.00 5.21 H new ATOM 0 HG2 PRO A 69 16.207 12.089 -5.340 1.00 5.88 H new ATOM 0 HG3 PRO A 69 16.622 12.950 -3.871 1.00 5.88 H new ATOM 0 HD2 PRO A 69 15.894 14.313 -6.120 1.00 5.67 H new ATOM 0 HD3 PRO A 69 17.094 14.976 -5.028 1.00 5.67 H new ATOM 213 N VAL A 70 19.432 11.420 -8.353 1.00 3.53 N ATOM 214 CA VAL A 70 19.224 10.354 -9.375 1.00 3.48 C ATOM 215 C VAL A 70 19.607 8.993 -8.792 1.00 3.20 C ATOM 216 O VAL A 70 20.761 8.696 -8.557 1.00 3.15 O ATOM 217 CB VAL A 70 20.061 10.670 -10.624 1.00 3.52 C ATOM 218 CG1 VAL A 70 21.440 11.192 -10.213 1.00 4.19 C ATOM 219 CG2 VAL A 70 20.227 9.416 -11.494 1.00 3.47 C ATOM 0 H VAL A 70 20.312 11.930 -8.427 1.00 3.53 H new ATOM 0 HA VAL A 70 18.173 10.320 -9.660 1.00 3.48 H new ATOM 0 HB VAL A 70 19.540 11.434 -11.201 1.00 3.52 H new ATOM 0 HG11 VAL A 70 22.026 11.413 -11.105 1.00 4.19 H new ATOM 0 HG12 VAL A 70 21.324 12.100 -9.621 1.00 4.19 H new ATOM 0 HG13 VAL A 70 21.954 10.435 -9.620 1.00 4.19 H new ATOM 0 HG21 VAL A 70 20.823 9.660 -12.374 1.00 3.47 H new ATOM 0 HG22 VAL A 70 20.730 8.638 -10.919 1.00 3.47 H new ATOM 0 HG23 VAL A 70 19.246 9.058 -11.808 1.00 3.47 H new ATOM 229 N THR A 71 18.626 8.163 -8.577 1.00 3.33 N ATOM 230 CA THR A 71 18.871 6.794 -8.025 1.00 3.19 C ATOM 231 C THR A 71 18.115 5.777 -8.896 1.00 2.33 C ATOM 232 O THR A 71 16.930 5.585 -8.727 1.00 2.20 O ATOM 233 CB THR A 71 18.332 6.723 -6.595 1.00 3.92 C ATOM 234 OG1 THR A 71 16.948 7.044 -6.595 1.00 4.10 O ATOM 235 CG2 THR A 71 19.091 7.715 -5.712 1.00 4.65 C ATOM 0 H THR A 71 17.646 8.376 -8.763 1.00 3.33 H new ATOM 0 HA THR A 71 19.939 6.575 -8.024 1.00 3.19 H new ATOM 0 HB THR A 71 18.470 5.715 -6.204 1.00 3.92 H new ATOM 0 HG1 THR A 71 16.453 6.358 -7.089 1.00 4.10 H new ATOM 0 HG21 THR A 71 18.706 7.664 -4.693 1.00 4.65 H new ATOM 0 HG22 THR A 71 20.152 7.465 -5.712 1.00 4.65 H new ATOM 0 HG23 THR A 71 18.956 8.725 -6.100 1.00 4.65 H new ATOM 243 N PRO A 72 18.774 5.144 -9.835 1.00 2.04 N ATOM 244 CA PRO A 72 18.124 4.156 -10.739 1.00 1.36 C ATOM 245 C PRO A 72 18.188 2.711 -10.222 1.00 1.25 C ATOM 246 O PRO A 72 18.382 2.455 -9.051 1.00 1.81 O ATOM 247 CB PRO A 72 18.951 4.311 -12.014 1.00 1.84 C ATOM 248 CG PRO A 72 20.344 4.564 -11.518 1.00 2.59 C ATOM 249 CD PRO A 72 20.203 5.293 -10.166 1.00 2.69 C ATOM 0 HA PRO A 72 17.056 4.340 -10.853 1.00 1.36 H new ATOM 0 HB2 PRO A 72 18.904 3.414 -12.631 1.00 1.84 H new ATOM 0 HB3 PRO A 72 18.589 5.138 -12.626 1.00 1.84 H new ATOM 0 HG2 PRO A 72 20.889 3.628 -11.399 1.00 2.59 H new ATOM 0 HG3 PRO A 72 20.905 5.171 -12.229 1.00 2.59 H new ATOM 0 HD2 PRO A 72 20.839 4.846 -9.402 1.00 2.69 H new ATOM 0 HD3 PRO A 72 20.488 6.342 -10.245 1.00 2.69 H new ATOM 257 N GLN A 73 18.004 1.772 -11.111 1.00 1.10 N ATOM 258 CA GLN A 73 18.021 0.333 -10.741 1.00 1.44 C ATOM 259 C GLN A 73 19.230 0.004 -9.869 1.00 1.16 C ATOM 260 O GLN A 73 20.320 -0.234 -10.349 1.00 1.32 O ATOM 261 CB GLN A 73 18.080 -0.514 -12.015 1.00 2.13 C ATOM 262 CG GLN A 73 16.796 -0.319 -12.830 1.00 2.59 C ATOM 263 CD GLN A 73 16.838 1.038 -13.538 1.00 3.31 C ATOM 264 OE1 GLN A 73 17.539 1.205 -14.515 1.00 3.76 O ATOM 265 NE2 GLN A 73 16.109 2.020 -13.081 1.00 3.98 N ATOM 0 H GLN A 73 17.839 1.950 -12.102 1.00 1.10 H new ATOM 0 HA GLN A 73 17.115 0.112 -10.177 1.00 1.44 H new ATOM 0 HB2 GLN A 73 18.947 -0.230 -12.612 1.00 2.13 H new ATOM 0 HB3 GLN A 73 18.202 -1.566 -11.758 1.00 2.13 H new ATOM 0 HG2 GLN A 73 16.693 -1.120 -13.562 1.00 2.59 H new ATOM 0 HG3 GLN A 73 15.926 -0.372 -12.175 1.00 2.59 H new ATOM 0 HE21 GLN A 73 15.520 1.879 -12.260 1.00 3.98 H new ATOM 0 HE22 GLN A 73 16.128 2.928 -13.545 1.00 3.98 H new ATOM 274 N VAL A 74 19.021 -0.050 -8.590 1.00 1.04 N ATOM 275 CA VAL A 74 20.128 -0.408 -7.651 1.00 0.93 C ATOM 276 C VAL A 74 20.141 -1.939 -7.526 1.00 0.86 C ATOM 277 O VAL A 74 19.127 -2.574 -7.733 1.00 0.89 O ATOM 278 CB VAL A 74 19.855 0.227 -6.278 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.098 1.737 -6.345 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.403 -0.031 -5.874 1.00 1.38 C ATOM 0 H VAL A 74 18.124 0.139 -8.143 1.00 1.04 H new ATOM 0 HA VAL A 74 21.088 -0.045 -8.017 1.00 0.93 H new ATOM 0 HB VAL A 74 20.526 -0.216 -5.542 1.00 1.09 H new ATOM 0 HG11 VAL A 74 19.903 2.181 -5.369 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.133 1.927 -6.629 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.432 2.180 -7.085 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.211 0.420 -4.900 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.736 0.408 -6.615 1.00 1.38 H new ATOM 0 HG23 VAL A 74 18.226 -1.105 -5.818 1.00 1.38 H new ATOM 290 N PRO A 75 21.268 -2.537 -7.205 1.00 0.93 N ATOM 291 CA PRO A 75 21.376 -4.019 -7.071 1.00 1.00 C ATOM 292 C PRO A 75 20.087 -4.659 -6.539 1.00 0.88 C ATOM 293 O PRO A 75 19.653 -4.394 -5.435 1.00 0.84 O ATOM 294 CB PRO A 75 22.527 -4.178 -6.084 1.00 1.18 C ATOM 295 CG PRO A 75 23.450 -3.038 -6.401 1.00 1.37 C ATOM 296 CD PRO A 75 22.567 -1.889 -6.937 1.00 1.13 C ATOM 0 HA PRO A 75 21.542 -4.517 -8.026 1.00 1.00 H new ATOM 0 HB2 PRO A 75 22.176 -4.130 -5.053 1.00 1.18 H new ATOM 0 HB3 PRO A 75 23.026 -5.139 -6.207 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.997 -2.724 -5.512 1.00 1.37 H new ATOM 0 HG3 PRO A 75 24.191 -3.335 -7.143 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.470 -1.085 -6.207 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.988 -1.449 -7.841 1.00 1.13 H new ATOM 304 N LEU A 76 19.467 -5.486 -7.338 1.00 0.86 N ATOM 305 CA LEU A 76 18.192 -6.140 -6.915 1.00 0.77 C ATOM 306 C LEU A 76 18.432 -7.051 -5.710 1.00 0.77 C ATOM 307 O LEU A 76 18.894 -8.167 -5.848 1.00 0.85 O ATOM 308 CB LEU A 76 17.635 -6.980 -8.072 1.00 0.84 C ATOM 309 CG LEU A 76 17.312 -6.086 -9.279 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.994 -6.971 -10.490 1.00 1.01 C ATOM 311 CD2 LEU A 76 16.099 -5.185 -8.970 1.00 0.76 C ATOM 0 H LEU A 76 19.790 -5.739 -8.272 1.00 0.86 H new ATOM 0 HA LEU A 76 17.479 -5.363 -6.640 1.00 0.77 H new ATOM 0 HB2 LEU A 76 18.361 -7.741 -8.359 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.735 -7.504 -7.749 1.00 0.84 H new ATOM 0 HG LEU A 76 18.173 -5.454 -9.495 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.764 -6.342 -11.350 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.856 -7.598 -10.719 1.00 1.01 H new ATOM 0 HD13 LEU A 76 16.136 -7.603 -10.263 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.882 -4.557 -9.834 1.00 0.76 H new ATOM 0 HD22 LEU A 76 15.232 -5.806 -8.746 1.00 0.76 H new ATOM 0 HD23 LEU A 76 16.324 -4.554 -8.111 1.00 0.76 H new ATOM 323 N ARG A 77 18.099 -6.598 -4.530 1.00 0.74 N ATOM 324 CA ARG A 77 18.284 -7.456 -3.322 1.00 0.79 C ATOM 325 C ARG A 77 17.097 -8.433 -3.252 1.00 0.71 C ATOM 326 O ARG A 77 16.212 -8.386 -4.083 1.00 0.73 O ATOM 327 CB ARG A 77 18.349 -6.578 -2.045 1.00 0.85 C ATOM 328 CG ARG A 77 18.644 -5.122 -2.417 1.00 1.19 C ATOM 329 CD ARG A 77 18.863 -4.304 -1.142 1.00 1.52 C ATOM 330 NE ARG A 77 20.211 -4.604 -0.584 1.00 2.13 N ATOM 331 CZ ARG A 77 20.726 -3.828 0.330 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.054 -2.796 0.764 1.00 2.73 N ATOM 333 NH2 ARG A 77 21.911 -4.086 0.814 1.00 3.61 N ATOM 0 H ARG A 77 17.708 -5.673 -4.350 1.00 0.74 H new ATOM 0 HA ARG A 77 19.220 -8.011 -3.388 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.404 -6.638 -1.505 1.00 0.85 H new ATOM 0 HB3 ARG A 77 19.123 -6.954 -1.376 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.529 -5.070 -3.052 1.00 1.19 H new ATOM 0 HG3 ARG A 77 17.815 -4.707 -2.990 1.00 1.19 H new ATOM 0 HD2 ARG A 77 18.777 -3.240 -1.361 1.00 1.52 H new ATOM 0 HD3 ARG A 77 18.093 -4.542 -0.408 1.00 1.52 H new ATOM 0 HE ARG A 77 20.731 -5.416 -0.916 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.127 -2.597 0.389 1.00 2.73 H new ATOM 0 HH12 ARG A 77 20.456 -2.189 1.478 1.00 2.73 H new ATOM 0 HH21 ARG A 77 22.434 -4.894 0.478 1.00 3.61 H new ATOM 0 HH22 ARG A 77 22.313 -3.479 1.528 1.00 3.61 H new ATOM 347 N PRO A 78 17.070 -9.311 -2.282 1.00 0.79 N ATOM 348 CA PRO A 78 15.971 -10.299 -2.129 1.00 0.76 C ATOM 349 C PRO A 78 14.838 -9.780 -1.232 1.00 0.67 C ATOM 350 O PRO A 78 14.991 -9.665 -0.033 1.00 0.69 O ATOM 351 CB PRO A 78 16.687 -11.480 -1.473 1.00 0.86 C ATOM 352 CG PRO A 78 17.742 -10.854 -0.603 1.00 1.18 C ATOM 353 CD PRO A 78 18.073 -9.475 -1.216 1.00 1.06 C ATOM 0 HA PRO A 78 15.483 -10.538 -3.074 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.996 -12.084 -0.885 1.00 0.86 H new ATOM 0 HB3 PRO A 78 17.130 -12.139 -2.220 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.383 -10.745 0.420 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.632 -11.482 -0.563 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.001 -8.680 -0.474 1.00 1.06 H new ATOM 0 HD3 PRO A 78 19.087 -9.448 -1.614 1.00 1.06 H new ATOM 361 N MET A 79 13.702 -9.471 -1.801 1.00 0.65 N ATOM 362 CA MET A 79 12.570 -8.970 -0.969 1.00 0.61 C ATOM 363 C MET A 79 12.101 -10.096 -0.046 1.00 0.51 C ATOM 364 O MET A 79 11.347 -10.965 -0.439 1.00 0.56 O ATOM 365 CB MET A 79 11.417 -8.520 -1.872 1.00 0.66 C ATOM 366 CG MET A 79 10.410 -7.715 -1.049 1.00 0.74 C ATOM 367 SD MET A 79 11.096 -6.081 -0.685 1.00 1.25 S ATOM 368 CE MET A 79 9.666 -5.432 0.216 1.00 0.83 C ATOM 0 H MET A 79 13.510 -9.544 -2.800 1.00 0.65 H new ATOM 0 HA MET A 79 12.899 -8.118 -0.374 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.799 -7.914 -2.693 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.929 -9.387 -2.317 1.00 0.66 H new ATOM 0 HG2 MET A 79 9.474 -7.614 -1.598 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.180 -8.240 -0.121 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.933 -4.488 0.692 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.842 -5.267 -0.479 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.360 -6.149 0.978 1.00 0.83 H new ATOM 378 N THR A 80 12.562 -10.098 1.176 1.00 0.56 N ATOM 379 CA THR A 80 12.173 -11.179 2.131 1.00 0.60 C ATOM 380 C THR A 80 10.836 -10.872 2.786 1.00 0.56 C ATOM 381 O THR A 80 10.450 -9.734 2.936 1.00 0.50 O ATOM 382 CB THR A 80 13.248 -11.307 3.215 1.00 0.77 C ATOM 383 OG1 THR A 80 13.124 -10.233 4.135 1.00 0.94 O ATOM 384 CG2 THR A 80 14.633 -11.273 2.569 1.00 0.73 C ATOM 0 H THR A 80 13.195 -9.394 1.557 1.00 0.56 H new ATOM 0 HA THR A 80 12.081 -12.113 1.577 1.00 0.60 H new ATOM 0 HB THR A 80 13.120 -12.252 3.743 1.00 0.77 H new ATOM 0 HG1 THR A 80 13.811 -10.316 4.829 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.397 -11.364 3.341 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.727 -12.101 1.866 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.764 -10.330 2.039 1.00 0.73 H new ATOM 392 N TYR A 81 10.131 -11.893 3.211 1.00 0.61 N ATOM 393 CA TYR A 81 8.833 -11.655 3.899 1.00 0.60 C ATOM 394 C TYR A 81 9.137 -10.651 5.007 1.00 0.51 C ATOM 395 O TYR A 81 8.463 -9.655 5.180 1.00 0.45 O ATOM 396 CB TYR A 81 8.299 -13.005 4.455 1.00 0.69 C ATOM 397 CG TYR A 81 8.250 -13.015 5.974 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.248 -12.306 6.645 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.208 -13.732 6.702 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.203 -12.312 8.045 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.163 -13.739 8.101 1.00 0.77 C ATOM 402 CZ TYR A 81 8.160 -13.029 8.773 1.00 0.73 C ATOM 403 OH TYR A 81 8.116 -13.036 10.152 1.00 0.90 O ATOM 0 H TYR A 81 10.399 -12.872 3.110 1.00 0.61 H new ATOM 0 HA TYR A 81 8.060 -11.262 3.239 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.301 -13.191 4.059 1.00 0.69 H new ATOM 0 HB3 TYR A 81 8.936 -13.818 4.107 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.509 -11.754 6.083 1.00 0.59 H new ATOM 0 HD2 TYR A 81 9.981 -14.279 6.184 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.430 -11.764 8.563 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.902 -14.292 8.662 1.00 0.77 H new ATOM 0 HH TYR A 81 8.851 -13.582 10.500 1.00 0.90 H new ATOM 413 N LYS A 82 10.198 -10.904 5.716 1.00 0.52 N ATOM 414 CA LYS A 82 10.623 -9.970 6.776 1.00 0.48 C ATOM 415 C LYS A 82 10.884 -8.612 6.126 1.00 0.40 C ATOM 416 O LYS A 82 10.729 -7.580 6.746 1.00 0.38 O ATOM 417 CB LYS A 82 11.904 -10.488 7.436 1.00 0.55 C ATOM 418 CG LYS A 82 12.138 -9.748 8.755 1.00 0.60 C ATOM 419 CD LYS A 82 13.570 -9.999 9.235 1.00 0.92 C ATOM 420 CE LYS A 82 13.821 -11.505 9.343 1.00 1.49 C ATOM 421 NZ LYS A 82 12.629 -12.164 9.948 1.00 2.32 N ATOM 0 H LYS A 82 10.790 -11.726 5.601 1.00 0.52 H new ATOM 0 HA LYS A 82 9.851 -9.881 7.541 1.00 0.48 H new ATOM 0 HB2 LYS A 82 11.823 -11.560 7.618 1.00 0.55 H new ATOM 0 HB3 LYS A 82 12.754 -10.341 6.769 1.00 0.55 H new ATOM 0 HG2 LYS A 82 11.971 -8.679 8.619 1.00 0.60 H new ATOM 0 HG3 LYS A 82 11.426 -10.089 9.507 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.281 -9.551 8.540 1.00 0.92 H new ATOM 0 HD3 LYS A 82 13.728 -9.524 10.203 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.020 -11.923 8.356 1.00 1.49 H new ATOM 0 HE3 LYS A 82 14.704 -11.695 9.953 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 12.921 -13.043 10.420 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 12.195 -11.525 10.644 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 11.938 -12.384 9.202 1.00 2.32 H new ATOM 435 N ALA A 83 11.276 -8.597 4.867 1.00 0.42 N ATOM 436 CA ALA A 83 11.530 -7.280 4.211 1.00 0.41 C ATOM 437 C ALA A 83 10.217 -6.495 4.133 1.00 0.35 C ATOM 438 O ALA A 83 10.191 -5.292 4.302 1.00 0.34 O ATOM 439 CB ALA A 83 12.090 -7.493 2.802 1.00 0.52 C ATOM 0 H ALA A 83 11.426 -9.420 4.284 1.00 0.42 H new ATOM 0 HA ALA A 83 12.259 -6.720 4.797 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.272 -6.526 2.333 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.026 -8.048 2.863 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.372 -8.056 2.206 1.00 0.52 H new ATOM 445 N ALA A 84 9.125 -7.167 3.884 1.00 0.34 N ATOM 446 CA ALA A 84 7.816 -6.459 3.801 1.00 0.31 C ATOM 447 C ALA A 84 7.496 -5.826 5.156 1.00 0.28 C ATOM 448 O ALA A 84 7.175 -4.656 5.245 1.00 0.28 O ATOM 449 CB ALA A 84 6.717 -7.458 3.432 1.00 0.34 C ATOM 0 H ALA A 84 9.083 -8.175 3.735 1.00 0.34 H new ATOM 0 HA ALA A 84 7.869 -5.682 3.039 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.760 -6.940 3.371 1.00 0.34 H new ATOM 0 HB2 ALA A 84 6.946 -7.911 2.467 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.661 -8.235 4.194 1.00 0.34 H new ATOM 455 N VAL A 85 7.582 -6.584 6.217 1.00 0.29 N ATOM 456 CA VAL A 85 7.284 -6.015 7.562 1.00 0.29 C ATOM 457 C VAL A 85 8.302 -4.918 7.868 1.00 0.29 C ATOM 458 O VAL A 85 7.959 -3.863 8.365 1.00 0.30 O ATOM 459 CB VAL A 85 7.372 -7.112 8.632 1.00 0.33 C ATOM 460 CG1 VAL A 85 6.819 -6.579 9.958 1.00 0.37 C ATOM 461 CG2 VAL A 85 6.546 -8.331 8.206 1.00 0.38 C ATOM 0 H VAL A 85 7.845 -7.569 6.210 1.00 0.29 H new ATOM 0 HA VAL A 85 6.275 -5.602 7.567 1.00 0.29 H new ATOM 0 HB VAL A 85 8.415 -7.403 8.752 1.00 0.33 H new ATOM 0 HG11 VAL A 85 6.882 -7.358 10.718 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.403 -5.715 10.275 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.778 -6.284 9.826 1.00 0.37 H new ATOM 0 HG21 VAL A 85 6.615 -9.103 8.972 1.00 0.38 H new ATOM 0 HG22 VAL A 85 5.504 -8.038 8.079 1.00 0.38 H new ATOM 0 HG23 VAL A 85 6.931 -8.720 7.263 1.00 0.38 H new ATOM 471 N ASP A 86 9.548 -5.147 7.559 1.00 0.30 N ATOM 472 CA ASP A 86 10.572 -4.102 7.818 1.00 0.32 C ATOM 473 C ASP A 86 10.216 -2.875 6.982 1.00 0.30 C ATOM 474 O ASP A 86 10.214 -1.759 7.463 1.00 0.31 O ATOM 475 CB ASP A 86 11.953 -4.621 7.412 1.00 0.36 C ATOM 476 CG ASP A 86 12.386 -5.728 8.376 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.541 -6.204 9.117 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.552 -6.084 8.354 1.00 1.05 O ATOM 0 H ASP A 86 9.898 -6.009 7.140 1.00 0.30 H new ATOM 0 HA ASP A 86 10.593 -3.846 8.877 1.00 0.32 H new ATOM 0 HB2 ASP A 86 11.924 -5.003 6.392 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.678 -3.807 7.427 1.00 0.36 H new ATOM 483 N LEU A 87 9.896 -3.080 5.733 1.00 0.29 N ATOM 484 CA LEU A 87 9.515 -1.936 4.862 1.00 0.30 C ATOM 485 C LEU A 87 8.274 -1.260 5.448 1.00 0.29 C ATOM 486 O LEU A 87 8.161 -0.050 5.456 1.00 0.30 O ATOM 487 CB LEU A 87 9.200 -2.449 3.449 1.00 0.33 C ATOM 488 CG LEU A 87 9.018 -1.263 2.477 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.381 -0.786 1.959 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.161 -1.700 1.282 1.00 0.44 C ATOM 0 H LEU A 87 9.883 -3.993 5.279 1.00 0.29 H new ATOM 0 HA LEU A 87 10.336 -1.221 4.809 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.007 -3.093 3.100 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.294 -3.055 3.468 1.00 0.33 H new ATOM 0 HG LEU A 87 8.527 -0.449 3.011 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.238 0.050 1.275 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.998 -0.466 2.799 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.877 -1.603 1.435 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.035 -0.860 0.598 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.654 -2.521 0.761 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.184 -2.030 1.636 1.00 0.44 H new ATOM 502 N SER A 88 7.340 -2.032 5.941 1.00 0.30 N ATOM 503 CA SER A 88 6.112 -1.426 6.524 1.00 0.34 C ATOM 504 C SER A 88 6.506 -0.373 7.562 1.00 0.33 C ATOM 505 O SER A 88 5.952 0.708 7.604 1.00 0.36 O ATOM 506 CB SER A 88 5.275 -2.519 7.194 1.00 0.40 C ATOM 507 OG SER A 88 5.749 -2.725 8.519 1.00 0.44 O ATOM 0 H SER A 88 7.377 -3.051 5.964 1.00 0.30 H new ATOM 0 HA SER A 88 5.528 -0.954 5.734 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.224 -2.230 7.212 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.341 -3.445 6.623 1.00 0.40 H new ATOM 0 HG SER A 88 6.307 -3.530 8.545 1.00 0.44 H new ATOM 513 N HIS A 89 7.454 -0.682 8.403 1.00 0.34 N ATOM 514 CA HIS A 89 7.878 0.302 9.440 1.00 0.36 C ATOM 515 C HIS A 89 8.700 1.421 8.801 1.00 0.36 C ATOM 516 O HIS A 89 8.588 2.570 9.175 1.00 0.41 O ATOM 517 CB HIS A 89 8.723 -0.402 10.503 1.00 0.41 C ATOM 518 CG HIS A 89 7.962 -1.569 11.067 1.00 0.52 C ATOM 519 ND1 HIS A 89 8.597 -2.639 11.678 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.618 -1.849 11.123 1.00 1.01 C ATOM 521 CE1 HIS A 89 7.646 -3.504 12.072 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.421 -3.072 11.758 1.00 0.82 N ATOM 0 H HIS A 89 7.953 -1.571 8.418 1.00 0.34 H new ATOM 0 HA HIS A 89 6.989 0.730 9.902 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.661 -0.744 10.067 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.978 0.297 11.300 1.00 0.41 H new ATOM 0 HD1 HIS A 89 9.603 -2.750 11.806 1.00 1.43 H new ATOM 0 HD2 HIS A 89 5.834 -1.217 10.734 1.00 1.01 H new ATOM 0 HE1 HIS A 89 7.848 -4.435 12.581 1.00 1.27 H new ATOM 530 N PHE A 90 9.527 1.107 7.843 1.00 0.34 N ATOM 531 CA PHE A 90 10.340 2.178 7.209 1.00 0.37 C ATOM 532 C PHE A 90 9.397 3.256 6.678 1.00 0.40 C ATOM 533 O PHE A 90 9.470 4.406 7.064 1.00 0.47 O ATOM 534 CB PHE A 90 11.157 1.592 6.054 1.00 0.38 C ATOM 535 CG PHE A 90 12.233 2.573 5.648 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.312 2.821 6.507 1.00 0.57 C ATOM 537 CD2 PHE A 90 12.154 3.236 4.416 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.310 3.729 6.133 1.00 0.69 C ATOM 539 CE2 PHE A 90 13.152 4.145 4.044 1.00 0.70 C ATOM 540 CZ PHE A 90 14.230 4.391 4.902 1.00 0.72 C ATOM 0 H PHE A 90 9.673 0.167 7.476 1.00 0.34 H new ATOM 0 HA PHE A 90 11.023 2.609 7.941 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.607 0.647 6.356 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.506 1.378 5.206 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.374 2.312 7.457 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.323 3.046 3.753 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.142 3.919 6.795 1.00 0.69 H new ATOM 0 HE2 PHE A 90 13.090 4.656 3.095 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.000 5.091 4.614 1.00 0.72 H new ATOM 550 N LEU A 91 8.509 2.891 5.799 1.00 0.37 N ATOM 551 CA LEU A 91 7.553 3.887 5.243 1.00 0.42 C ATOM 552 C LEU A 91 6.675 4.454 6.365 1.00 0.47 C ATOM 553 O LEU A 91 6.151 5.543 6.257 1.00 0.57 O ATOM 554 CB LEU A 91 6.668 3.212 4.190 1.00 0.41 C ATOM 555 CG LEU A 91 7.499 2.874 2.938 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.779 1.795 2.123 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.688 4.123 2.059 1.00 0.54 C ATOM 0 H LEU A 91 8.403 1.942 5.440 1.00 0.37 H new ATOM 0 HA LEU A 91 8.112 4.702 4.783 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.229 2.303 4.601 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.842 3.871 3.921 1.00 0.41 H new ATOM 0 HG LEU A 91 8.477 2.514 3.258 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.367 1.556 1.237 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.659 0.899 2.732 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.798 2.162 1.820 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.278 3.863 1.180 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.714 4.498 1.745 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.207 4.894 2.629 1.00 0.54 H new ATOM 569 N LYS A 92 6.497 3.732 7.440 1.00 0.45 N ATOM 570 CA LYS A 92 5.640 4.260 8.538 1.00 0.53 C ATOM 571 C LYS A 92 6.269 5.532 9.113 1.00 0.63 C ATOM 572 O LYS A 92 5.580 6.443 9.527 1.00 0.85 O ATOM 573 CB LYS A 92 5.503 3.201 9.645 1.00 0.54 C ATOM 574 CG LYS A 92 4.512 3.678 10.741 1.00 0.73 C ATOM 575 CD LYS A 92 5.271 4.292 11.940 1.00 1.20 C ATOM 576 CE LYS A 92 5.651 3.198 12.944 1.00 1.61 C ATOM 577 NZ LYS A 92 6.077 1.973 12.212 1.00 2.27 N ATOM 0 H LYS A 92 6.903 2.811 7.603 1.00 0.45 H new ATOM 0 HA LYS A 92 4.651 4.494 8.143 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.154 2.262 9.216 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.478 3.005 10.090 1.00 0.54 H new ATOM 0 HG2 LYS A 92 3.828 4.416 10.322 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.906 2.838 11.080 1.00 0.73 H new ATOM 0 HD2 LYS A 92 6.169 4.801 11.589 1.00 1.20 H new ATOM 0 HD3 LYS A 92 4.649 5.043 12.427 1.00 1.20 H new ATOM 0 HE2 LYS A 92 6.457 3.547 13.589 1.00 1.61 H new ATOM 0 HE3 LYS A 92 4.802 2.972 13.589 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 6.334 1.232 12.895 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 5.295 1.636 11.614 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 6.899 2.194 11.615 1.00 2.27 H new ATOM 591 N GLU A 93 7.572 5.601 9.145 1.00 0.62 N ATOM 592 CA GLU A 93 8.240 6.810 9.697 1.00 0.76 C ATOM 593 C GLU A 93 8.099 7.978 8.721 1.00 0.77 C ATOM 594 O GLU A 93 7.277 8.856 8.894 1.00 1.05 O ATOM 595 CB GLU A 93 9.725 6.511 9.917 1.00 0.94 C ATOM 596 CG GLU A 93 9.870 5.325 10.874 1.00 1.22 C ATOM 597 CD GLU A 93 11.305 4.799 10.821 1.00 2.00 C ATOM 598 OE1 GLU A 93 12.179 5.461 11.359 1.00 2.54 O ATOM 599 OE2 GLU A 93 11.508 3.744 10.245 1.00 2.73 O ATOM 0 H GLU A 93 8.202 4.871 8.812 1.00 0.62 H new ATOM 0 HA GLU A 93 7.771 7.077 10.644 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.206 6.285 8.965 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.226 7.387 10.328 1.00 0.94 H new ATOM 0 HG2 GLU A 93 9.621 5.631 11.890 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.171 4.535 10.599 1.00 1.22 H new ATOM 606 N LYS A 94 8.913 7.999 7.704 1.00 0.80 N ATOM 607 CA LYS A 94 8.858 9.115 6.713 1.00 1.02 C ATOM 608 C LYS A 94 7.730 8.889 5.700 1.00 0.96 C ATOM 609 O LYS A 94 6.988 9.795 5.379 1.00 1.41 O ATOM 610 CB LYS A 94 10.197 9.201 5.976 1.00 1.39 C ATOM 611 CG LYS A 94 11.345 9.069 6.981 1.00 1.63 C ATOM 612 CD LYS A 94 11.169 10.091 8.110 1.00 2.18 C ATOM 613 CE LYS A 94 12.486 10.245 8.875 1.00 2.61 C ATOM 614 NZ LYS A 94 12.281 11.157 10.036 1.00 2.96 N ATOM 0 H LYS A 94 9.619 7.288 7.513 1.00 0.80 H new ATOM 0 HA LYS A 94 8.663 10.046 7.245 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.263 8.412 5.227 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.272 10.150 5.446 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.366 8.060 7.392 1.00 1.63 H new ATOM 0 HG3 LYS A 94 12.299 9.229 6.479 1.00 1.63 H new ATOM 0 HD2 LYS A 94 10.861 11.052 7.699 1.00 2.18 H new ATOM 0 HD3 LYS A 94 10.379 9.767 8.788 1.00 2.18 H new ATOM 0 HE2 LYS A 94 12.835 9.272 9.220 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.257 10.645 8.216 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 13.175 11.263 10.557 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 11.967 12.088 9.695 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 11.558 10.758 10.668 1.00 2.96 H new ATOM 628 N GLY A 95 7.606 7.694 5.183 1.00 1.12 N ATOM 629 CA GLY A 95 6.537 7.415 4.176 1.00 1.51 C ATOM 630 C GLY A 95 5.214 8.052 4.613 1.00 1.10 C ATOM 631 O GLY A 95 4.721 8.969 3.986 1.00 1.71 O ATOM 0 H GLY A 95 8.200 6.898 5.415 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.833 7.807 3.203 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.409 6.339 4.060 1.00 1.51 H new ATOM 635 N GLY A 96 4.635 7.578 5.680 1.00 1.17 N ATOM 636 CA GLY A 96 3.346 8.163 6.148 1.00 0.99 C ATOM 637 C GLY A 96 2.224 7.762 5.188 1.00 0.81 C ATOM 638 O GLY A 96 1.374 8.559 4.842 1.00 0.83 O ATOM 0 H GLY A 96 4.997 6.812 6.248 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.120 7.812 7.155 1.00 0.99 H new ATOM 0 HA3 GLY A 96 3.425 9.249 6.199 1.00 0.99 H new ATOM 642 N LEU A 97 2.212 6.530 4.759 1.00 0.67 N ATOM 643 CA LEU A 97 1.144 6.071 3.825 1.00 0.55 C ATOM 644 C LEU A 97 -0.113 5.740 4.634 1.00 0.46 C ATOM 645 O LEU A 97 -1.216 5.734 4.124 1.00 0.49 O ATOM 646 CB LEU A 97 1.637 4.817 3.089 1.00 0.54 C ATOM 647 CG LEU A 97 0.595 4.346 2.063 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.440 5.384 0.938 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.057 3.011 1.468 1.00 0.66 C ATOM 0 H LEU A 97 2.897 5.819 5.015 1.00 0.67 H new ATOM 0 HA LEU A 97 0.912 6.850 3.099 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.580 5.032 2.585 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.833 4.021 3.807 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.369 4.225 2.558 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.302 5.034 0.220 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.115 6.334 1.362 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.397 5.520 0.434 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.325 2.666 0.738 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.022 3.145 0.979 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.153 2.272 2.263 1.00 0.66 H new ATOM 661 N GLU A 98 0.055 5.466 5.898 1.00 0.44 N ATOM 662 CA GLU A 98 -1.110 5.133 6.768 1.00 0.40 C ATOM 663 C GLU A 98 -2.194 6.206 6.648 1.00 0.40 C ATOM 664 O GLU A 98 -1.922 7.376 6.461 1.00 0.58 O ATOM 665 CB GLU A 98 -0.632 5.058 8.223 1.00 0.49 C ATOM 666 CG GLU A 98 -1.828 4.899 9.172 1.00 0.48 C ATOM 667 CD GLU A 98 -1.323 4.594 10.584 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.139 4.341 10.727 1.00 2.03 O ATOM 669 OE2 GLU A 98 -2.131 4.620 11.498 1.00 1.94 O ATOM 0 H GLU A 98 0.959 5.458 6.371 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.529 4.177 6.454 1.00 0.40 H new ATOM 0 HB2 GLU A 98 0.051 4.218 8.345 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.076 5.960 8.477 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.425 5.811 9.177 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.477 4.095 8.825 1.00 0.48 H new ATOM 676 N GLY A 99 -3.422 5.801 6.796 1.00 0.39 N ATOM 677 CA GLY A 99 -4.562 6.759 6.742 1.00 0.42 C ATOM 678 C GLY A 99 -4.616 7.504 5.402 1.00 0.42 C ATOM 679 O GLY A 99 -5.528 8.267 5.156 1.00 0.46 O ATOM 0 H GLY A 99 -3.690 4.830 6.955 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.497 6.221 6.897 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.471 7.479 7.555 1.00 0.42 H new ATOM 683 N LEU A 100 -3.665 7.303 4.532 1.00 0.41 N ATOM 684 CA LEU A 100 -3.712 8.026 3.224 1.00 0.43 C ATOM 685 C LEU A 100 -4.787 7.380 2.340 1.00 0.42 C ATOM 686 O LEU A 100 -4.712 6.212 2.011 1.00 0.44 O ATOM 687 CB LEU A 100 -2.335 7.950 2.533 1.00 0.45 C ATOM 688 CG LEU A 100 -2.114 9.189 1.636 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.569 10.355 2.471 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.105 8.858 0.529 1.00 1.17 C ATOM 0 H LEU A 100 -2.868 6.680 4.664 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.958 9.075 3.388 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.547 7.891 3.284 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.272 7.042 1.933 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.069 9.472 1.194 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.417 11.223 1.829 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.283 10.605 3.256 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.620 10.067 2.922 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.954 9.735 -0.100 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.156 8.565 0.978 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.488 8.038 -0.079 1.00 1.17 H new ATOM 702 N ILE A 101 -5.798 8.121 1.969 1.00 0.44 N ATOM 703 CA ILE A 101 -6.878 7.530 1.130 1.00 0.45 C ATOM 704 C ILE A 101 -6.322 7.049 -0.218 1.00 0.46 C ATOM 705 O ILE A 101 -6.003 7.832 -1.091 1.00 0.49 O ATOM 706 CB ILE A 101 -8.018 8.554 0.939 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.945 8.534 2.179 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.836 8.243 -0.322 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.941 7.349 2.115 1.00 0.52 C ATOM 0 H ILE A 101 -5.921 9.104 2.210 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.285 6.658 1.642 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.575 9.543 0.823 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.343 8.458 3.085 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.496 9.473 2.240 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.631 8.980 -0.431 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.185 8.279 -1.196 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.273 7.248 -0.236 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.578 7.361 2.999 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.558 7.440 1.221 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.388 6.410 2.080 1.00 0.52 H new ATOM 721 N HIS A 102 -6.232 5.753 -0.392 1.00 0.47 N ATOM 722 CA HIS A 102 -5.729 5.195 -1.678 1.00 0.51 C ATOM 723 C HIS A 102 -6.747 5.510 -2.782 1.00 0.58 C ATOM 724 O HIS A 102 -7.750 4.831 -2.933 1.00 0.64 O ATOM 725 CB HIS A 102 -5.539 3.669 -1.534 1.00 0.57 C ATOM 726 CG HIS A 102 -5.514 3.001 -2.887 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.357 1.949 -3.207 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.757 3.226 -4.009 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.090 1.583 -4.473 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.121 2.331 -5.009 1.00 0.70 N ATOM 0 H HIS A 102 -6.488 5.057 0.308 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.769 5.641 -1.937 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.609 3.462 -1.004 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.347 3.253 -0.933 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -3.993 3.984 -4.102 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.596 0.783 -4.993 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.732 2.261 -5.949 1.00 0.70 H new ATOM 738 N SER A 103 -6.495 6.536 -3.550 1.00 0.60 N ATOM 739 CA SER A 103 -7.433 6.901 -4.647 1.00 0.69 C ATOM 740 C SER A 103 -7.372 5.831 -5.738 1.00 0.76 C ATOM 741 O SER A 103 -8.256 5.008 -5.863 1.00 0.85 O ATOM 742 CB SER A 103 -7.031 8.255 -5.235 1.00 0.74 C ATOM 743 OG SER A 103 -7.093 9.246 -4.218 1.00 1.49 O ATOM 0 H SER A 103 -5.676 7.138 -3.463 1.00 0.60 H new ATOM 0 HA SER A 103 -8.448 6.966 -4.254 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.023 8.201 -5.645 1.00 0.74 H new ATOM 0 HB3 SER A 103 -7.696 8.519 -6.057 1.00 0.74 H new ATOM 0 HG SER A 103 -6.834 10.114 -4.591 1.00 1.49 H new ATOM 749 N GLN A 104 -6.331 5.838 -6.527 1.00 0.81 N ATOM 750 CA GLN A 104 -6.208 4.823 -7.612 1.00 0.92 C ATOM 751 C GLN A 104 -4.818 4.916 -8.248 1.00 0.93 C ATOM 752 O GLN A 104 -4.198 3.918 -8.556 1.00 1.37 O ATOM 753 CB GLN A 104 -7.274 5.088 -8.679 1.00 1.06 C ATOM 754 CG GLN A 104 -7.319 3.917 -9.662 1.00 1.76 C ATOM 755 CD GLN A 104 -8.493 4.105 -10.624 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.246 3.185 -10.870 1.00 2.64 O ATOM 757 NE2 GLN A 104 -8.683 5.269 -11.183 1.00 2.70 N ATOM 0 H GLN A 104 -5.560 6.503 -6.467 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.349 3.826 -7.193 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -8.249 5.219 -8.209 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -7.049 6.013 -9.210 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -6.384 3.860 -10.219 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -7.426 2.977 -9.120 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -8.051 6.043 -10.977 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -9.463 5.405 -11.826 1.00 2.70 H new ATOM 766 N ARG A 105 -4.327 6.110 -8.455 1.00 0.83 N ATOM 767 CA ARG A 105 -2.979 6.276 -9.081 1.00 0.87 C ATOM 768 C ARG A 105 -1.901 6.307 -7.992 1.00 0.74 C ATOM 769 O ARG A 105 -0.767 5.924 -8.217 1.00 0.70 O ATOM 770 CB ARG A 105 -2.936 7.598 -9.863 1.00 1.06 C ATOM 771 CG ARG A 105 -3.917 7.557 -11.058 1.00 1.71 C ATOM 772 CD ARG A 105 -5.301 8.088 -10.641 1.00 1.99 C ATOM 773 NE ARG A 105 -6.360 7.427 -11.469 1.00 2.86 N ATOM 774 CZ ARG A 105 -6.283 7.400 -12.774 1.00 3.60 C ATOM 775 NH1 ARG A 105 -5.387 8.112 -13.399 1.00 3.73 N ATOM 776 NH2 ARG A 105 -7.149 6.703 -13.459 1.00 4.61 N ATOM 0 H ARG A 105 -4.802 6.981 -8.217 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.794 5.440 -9.755 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -3.194 8.426 -9.202 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.924 7.781 -10.223 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.524 8.156 -11.879 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -4.009 6.535 -11.425 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -5.475 7.890 -9.583 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -5.343 9.169 -10.774 1.00 1.99 H new ATOM 0 HE ARG A 105 -7.157 6.990 -11.006 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -4.739 8.696 -12.870 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -5.334 8.085 -14.417 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -7.881 6.183 -12.976 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -7.093 6.679 -14.477 1.00 4.61 H new ATOM 790 N ARG A 106 -2.238 6.768 -6.820 1.00 0.71 N ATOM 791 CA ARG A 106 -1.227 6.835 -5.725 1.00 0.65 C ATOM 792 C ARG A 106 -0.564 5.468 -5.542 1.00 0.54 C ATOM 793 O ARG A 106 0.563 5.371 -5.098 1.00 0.50 O ATOM 794 CB ARG A 106 -1.913 7.247 -4.422 1.00 0.70 C ATOM 795 CG ARG A 106 -2.515 8.645 -4.581 1.00 1.01 C ATOM 796 CD ARG A 106 -2.971 9.162 -3.216 1.00 1.24 C ATOM 797 NE ARG A 106 -3.845 10.352 -3.402 1.00 1.86 N ATOM 798 CZ ARG A 106 -4.587 10.778 -2.415 1.00 2.48 C ATOM 799 NH1 ARG A 106 -4.562 10.161 -1.265 1.00 2.86 N ATOM 800 NH2 ARG A 106 -5.354 11.821 -2.577 1.00 3.29 N ATOM 0 H ARG A 106 -3.169 7.102 -6.572 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.465 7.570 -5.986 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.694 6.530 -4.167 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.194 7.240 -3.602 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.778 9.323 -5.011 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -3.359 8.613 -5.270 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -3.511 8.381 -2.682 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -2.106 9.425 -2.607 1.00 1.24 H new ATOM 0 HE ARG A 106 -3.865 10.835 -4.300 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -3.963 9.346 -1.137 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -5.142 10.494 -0.495 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -5.375 12.304 -3.475 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -5.933 12.153 -1.806 1.00 3.29 H new ATOM 814 N GLN A 107 -1.250 4.410 -5.875 1.00 0.55 N ATOM 815 CA GLN A 107 -0.650 3.056 -5.712 1.00 0.52 C ATOM 816 C GLN A 107 0.558 2.909 -6.642 1.00 0.49 C ATOM 817 O GLN A 107 1.591 2.398 -6.257 1.00 0.44 O ATOM 818 CB GLN A 107 -1.692 1.991 -6.061 1.00 0.63 C ATOM 819 CG GLN A 107 -1.139 0.605 -5.721 1.00 1.11 C ATOM 820 CD GLN A 107 -2.248 -0.438 -5.867 1.00 1.53 C ATOM 821 OE1 GLN A 107 -2.270 -1.423 -5.155 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.177 -0.263 -6.766 1.00 2.12 N ATOM 0 H GLN A 107 -2.198 4.424 -6.252 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.327 2.928 -4.679 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.613 2.173 -5.507 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.942 2.045 -7.121 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.307 0.362 -6.382 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -0.750 0.597 -4.703 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -3.159 0.563 -7.364 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -3.921 -0.952 -6.871 1.00 2.12 H new ATOM 831 N ASP A 108 0.436 3.349 -7.864 1.00 0.56 N ATOM 832 CA ASP A 108 1.573 3.230 -8.819 1.00 0.59 C ATOM 833 C ASP A 108 2.802 3.952 -8.262 1.00 0.54 C ATOM 834 O ASP A 108 3.893 3.416 -8.246 1.00 0.54 O ATOM 835 CB ASP A 108 1.182 3.854 -10.159 1.00 0.72 C ATOM 836 CG ASP A 108 0.028 3.059 -10.773 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.295 2.033 -11.375 1.00 1.42 O ATOM 838 OD2 ASP A 108 -1.105 3.492 -10.631 1.00 1.33 O ATOM 0 H ASP A 108 -0.404 3.787 -8.243 1.00 0.56 H new ATOM 0 HA ASP A 108 1.810 2.176 -8.960 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.886 4.893 -10.016 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.037 3.856 -10.835 1.00 0.72 H new ATOM 843 N ILE A 109 2.640 5.165 -7.807 1.00 0.55 N ATOM 844 CA ILE A 109 3.809 5.913 -7.258 1.00 0.54 C ATOM 845 C ILE A 109 4.492 5.059 -6.181 1.00 0.47 C ATOM 846 O ILE A 109 5.692 4.876 -6.191 1.00 0.53 O ATOM 847 CB ILE A 109 3.331 7.247 -6.652 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.998 8.240 -7.775 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.433 7.851 -5.771 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.755 7.776 -8.542 1.00 1.47 C ATOM 0 H ILE A 109 1.753 5.669 -7.791 1.00 0.55 H new ATOM 0 HA ILE A 109 4.521 6.124 -8.056 1.00 0.54 H new ATOM 0 HB ILE A 109 2.443 7.056 -6.050 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.826 9.231 -7.355 1.00 0.70 H new ATOM 0 HG13 ILE A 109 3.844 8.326 -8.457 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.085 8.793 -5.348 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.675 7.158 -4.965 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.323 8.031 -6.374 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.530 8.489 -9.335 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.942 6.795 -8.978 1.00 1.47 H new ATOM 0 HD13 ILE A 109 0.908 7.714 -7.859 1.00 1.47 H new ATOM 862 N LEU A 110 3.736 4.544 -5.251 1.00 0.43 N ATOM 863 CA LEU A 110 4.339 3.710 -4.170 1.00 0.39 C ATOM 864 C LEU A 110 5.313 2.694 -4.778 1.00 0.38 C ATOM 865 O LEU A 110 6.513 2.798 -4.620 1.00 0.38 O ATOM 866 CB LEU A 110 3.219 2.971 -3.425 1.00 0.42 C ATOM 867 CG LEU A 110 3.794 2.115 -2.284 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.463 3.012 -1.228 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.653 1.321 -1.639 1.00 0.66 C ATOM 0 H LEU A 110 2.725 4.664 -5.192 1.00 0.43 H new ATOM 0 HA LEU A 110 4.884 4.350 -3.476 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.507 3.692 -3.022 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.670 2.336 -4.121 1.00 0.42 H new ATOM 0 HG LEU A 110 4.544 1.433 -2.685 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.865 2.392 -0.427 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.272 3.577 -1.691 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.726 3.703 -0.818 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.048 0.710 -0.828 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.908 2.011 -1.243 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.190 0.677 -2.387 1.00 0.66 H new ATOM 881 N ASP A 111 4.802 1.706 -5.456 1.00 0.40 N ATOM 882 CA ASP A 111 5.687 0.670 -6.062 1.00 0.42 C ATOM 883 C ASP A 111 6.778 1.329 -6.911 1.00 0.43 C ATOM 884 O ASP A 111 7.920 0.914 -6.896 1.00 0.42 O ATOM 885 CB ASP A 111 4.849 -0.256 -6.943 1.00 0.50 C ATOM 886 CG ASP A 111 3.775 -0.932 -6.090 1.00 0.59 C ATOM 887 OD1 ASP A 111 4.067 -1.970 -5.517 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.678 -0.402 -6.023 1.00 1.19 O ATOM 0 H ASP A 111 3.804 1.569 -5.618 1.00 0.40 H new ATOM 0 HA ASP A 111 6.160 0.098 -5.264 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.385 0.312 -7.749 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.486 -1.008 -7.409 1.00 0.50 H new ATOM 893 N LEU A 112 6.439 2.341 -7.661 1.00 0.48 N ATOM 894 CA LEU A 112 7.466 3.007 -8.515 1.00 0.52 C ATOM 895 C LEU A 112 8.540 3.638 -7.630 1.00 0.48 C ATOM 896 O LEU A 112 9.720 3.412 -7.815 1.00 0.47 O ATOM 897 CB LEU A 112 6.792 4.091 -9.366 1.00 0.60 C ATOM 898 CG LEU A 112 7.796 4.698 -10.359 1.00 0.70 C ATOM 899 CD1 LEU A 112 8.185 3.667 -11.435 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.155 5.922 -11.025 1.00 1.26 C ATOM 0 H LEU A 112 5.500 2.735 -7.720 1.00 0.48 H new ATOM 0 HA LEU A 112 7.931 2.269 -9.169 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.948 3.664 -9.908 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.393 4.873 -8.720 1.00 0.60 H new ATOM 0 HG LEU A 112 8.698 4.992 -9.822 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.896 4.116 -12.128 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.641 2.799 -10.959 1.00 1.45 H new ATOM 0 HD13 LEU A 112 7.294 3.356 -11.980 1.00 1.45 H new ATOM 0 HD21 LEU A 112 7.858 6.362 -11.732 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.252 5.617 -11.554 1.00 1.26 H new ATOM 0 HD23 LEU A 112 6.899 6.658 -10.263 1.00 1.26 H new ATOM 912 N TRP A 113 8.150 4.425 -6.666 1.00 0.48 N ATOM 913 CA TRP A 113 9.160 5.060 -5.775 1.00 0.48 C ATOM 914 C TRP A 113 10.109 3.982 -5.251 1.00 0.43 C ATOM 915 O TRP A 113 11.309 4.168 -5.198 1.00 0.45 O ATOM 916 CB TRP A 113 8.445 5.736 -4.602 1.00 0.52 C ATOM 917 CG TRP A 113 9.449 6.324 -3.664 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.074 7.511 -3.838 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.950 5.779 -2.409 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.926 7.728 -2.770 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.884 6.688 -1.862 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.684 4.594 -1.699 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.535 6.430 -0.655 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.336 4.331 -0.484 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.260 5.248 0.037 1.00 0.67 C ATOM 0 H TRP A 113 7.178 4.655 -6.457 1.00 0.48 H new ATOM 0 HA TRP A 113 9.728 5.808 -6.328 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.779 6.516 -4.971 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.825 5.010 -4.076 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.931 8.180 -4.674 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.514 8.555 -2.666 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.973 3.882 -2.091 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.247 7.139 -0.259 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.125 3.418 0.052 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.759 5.041 0.972 1.00 0.67 H new ATOM 936 N ILE A 114 9.580 2.852 -4.873 1.00 0.39 N ATOM 937 CA ILE A 114 10.451 1.757 -4.364 1.00 0.37 C ATOM 938 C ILE A 114 11.465 1.373 -5.444 1.00 0.39 C ATOM 939 O ILE A 114 12.579 0.987 -5.156 1.00 0.44 O ATOM 940 CB ILE A 114 9.592 0.529 -4.027 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.598 0.862 -2.888 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.500 -0.636 -3.623 1.00 0.42 C ATOM 943 CD1 ILE A 114 9.261 0.721 -1.507 1.00 1.00 C ATOM 0 H ILE A 114 8.583 2.640 -4.895 1.00 0.39 H new ATOM 0 HA ILE A 114 10.972 2.097 -3.469 1.00 0.37 H new ATOM 0 HB ILE A 114 9.017 0.243 -4.907 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.226 1.879 -3.013 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.736 0.198 -2.949 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.890 -1.507 -3.384 1.00 0.42 H new ATOM 0 HG22 ILE A 114 11.170 -0.878 -4.448 1.00 0.42 H new ATOM 0 HG23 ILE A 114 11.087 -0.354 -2.749 1.00 0.42 H new ATOM 0 HD11 ILE A 114 8.536 0.962 -0.729 1.00 1.00 H new ATOM 0 HD12 ILE A 114 9.610 -0.303 -1.374 1.00 1.00 H new ATOM 0 HD13 ILE A 114 10.107 1.404 -1.438 1.00 1.00 H new ATOM 955 N TYR A 115 11.076 1.460 -6.689 1.00 0.40 N ATOM 956 CA TYR A 115 12.003 1.083 -7.795 1.00 0.46 C ATOM 957 C TYR A 115 13.223 2.020 -7.826 1.00 0.51 C ATOM 958 O TYR A 115 14.343 1.602 -7.612 1.00 0.54 O ATOM 959 CB TYR A 115 11.245 1.163 -9.131 1.00 0.53 C ATOM 960 CG TYR A 115 11.896 0.257 -10.158 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.787 -1.136 -10.036 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.606 0.809 -11.234 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.386 -1.972 -10.986 1.00 0.65 C ATOM 964 CE2 TYR A 115 13.204 -0.029 -12.183 1.00 0.82 C ATOM 965 CZ TYR A 115 13.095 -1.419 -12.059 1.00 0.77 C ATOM 966 OH TYR A 115 13.685 -2.243 -12.995 1.00 0.87 O ATOM 0 H TYR A 115 10.154 1.777 -6.988 1.00 0.40 H new ATOM 0 HA TYR A 115 12.361 0.066 -7.631 1.00 0.46 H new ATOM 0 HB2 TYR A 115 10.205 0.871 -8.985 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.240 2.191 -9.494 1.00 0.53 H new ATOM 0 HD1 TYR A 115 11.241 -1.564 -9.209 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.692 1.881 -11.331 1.00 0.74 H new ATOM 0 HE1 TYR A 115 12.301 -3.044 -10.891 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.750 0.398 -13.012 1.00 0.82 H new ATOM 0 HH TYR A 115 14.136 -1.698 -13.673 1.00 0.87 H new ATOM 976 N HIS A 116 13.021 3.278 -8.111 1.00 0.58 N ATOM 977 CA HIS A 116 14.174 4.229 -8.181 1.00 0.67 C ATOM 978 C HIS A 116 14.898 4.309 -6.830 1.00 0.67 C ATOM 979 O HIS A 116 16.048 4.693 -6.762 1.00 0.81 O ATOM 980 CB HIS A 116 13.655 5.619 -8.551 1.00 0.79 C ATOM 981 CG HIS A 116 13.211 5.626 -9.987 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.573 4.543 -10.570 1.00 1.99 N ATOM 983 CD2 HIS A 116 13.301 6.580 -10.970 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.307 4.868 -11.849 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.731 6.100 -12.144 1.00 2.74 N ATOM 0 H HIS A 116 12.108 3.691 -8.299 1.00 0.58 H new ATOM 0 HA HIS A 116 14.876 3.871 -8.934 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.823 5.892 -7.901 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.437 6.363 -8.398 1.00 0.79 H new ATOM 0 HD2 HIS A 116 13.747 7.556 -10.850 1.00 2.05 H new ATOM 0 HE1 HIS A 116 11.812 4.213 -12.551 1.00 2.71 H new ATOM 0 HE2 HIS A 116 12.653 6.584 -13.038 1.00 2.74 H new ATOM 993 N THR A 117 14.242 3.974 -5.747 1.00 0.63 N ATOM 994 CA THR A 117 14.910 4.067 -4.407 1.00 0.68 C ATOM 995 C THR A 117 15.460 2.705 -3.971 1.00 0.66 C ATOM 996 O THR A 117 16.653 2.481 -3.983 1.00 0.73 O ATOM 997 CB THR A 117 13.897 4.560 -3.367 1.00 0.80 C ATOM 998 OG1 THR A 117 12.762 3.706 -3.382 1.00 0.85 O ATOM 999 CG2 THR A 117 13.456 6.004 -3.687 1.00 0.91 C ATOM 0 H THR A 117 13.278 3.642 -5.730 1.00 0.63 H new ATOM 0 HA THR A 117 15.741 4.768 -4.484 1.00 0.68 H new ATOM 0 HB THR A 117 14.363 4.546 -2.382 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.031 4.142 -3.867 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.737 6.339 -2.939 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.325 6.661 -3.674 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.994 6.033 -4.674 1.00 0.91 H new ATOM 1007 N GLN A 118 14.612 1.801 -3.560 1.00 0.73 N ATOM 1008 CA GLN A 118 15.116 0.474 -3.097 1.00 0.83 C ATOM 1009 C GLN A 118 15.457 -0.405 -4.308 1.00 0.72 C ATOM 1010 O GLN A 118 16.455 -1.097 -4.320 1.00 0.91 O ATOM 1011 CB GLN A 118 14.042 -0.201 -2.216 1.00 1.06 C ATOM 1012 CG GLN A 118 14.702 -0.909 -1.026 1.00 1.48 C ATOM 1013 CD GLN A 118 15.687 -1.959 -1.544 1.00 2.12 C ATOM 1014 OE1 GLN A 118 16.701 -2.215 -0.926 1.00 2.89 O ATOM 1015 NE2 GLN A 118 15.428 -2.581 -2.663 1.00 2.13 N ATOM 0 H GLN A 118 13.600 1.921 -3.524 1.00 0.73 H new ATOM 0 HA GLN A 118 16.022 0.609 -2.506 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.334 0.546 -1.857 1.00 1.06 H new ATOM 0 HB3 GLN A 118 13.475 -0.920 -2.808 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.222 -0.184 -0.400 1.00 1.48 H new ATOM 0 HG3 GLN A 118 13.943 -1.382 -0.403 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.576 -2.365 -3.181 1.00 2.13 H new ATOM 0 HE22 GLN A 118 16.077 -3.282 -3.019 1.00 2.13 H new ATOM 1024 N GLY A 119 14.646 -0.375 -5.329 1.00 0.86 N ATOM 1025 CA GLY A 119 14.940 -1.199 -6.541 1.00 0.85 C ATOM 1026 C GLY A 119 14.320 -2.592 -6.413 1.00 0.65 C ATOM 1027 O GLY A 119 14.612 -3.475 -7.193 1.00 0.67 O ATOM 0 H GLY A 119 13.793 0.182 -5.379 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.548 -0.702 -7.428 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.018 -1.287 -6.674 1.00 0.85 H new ATOM 1031 N TYR A 120 13.460 -2.808 -5.456 1.00 0.54 N ATOM 1032 CA TYR A 120 12.841 -4.157 -5.337 1.00 0.44 C ATOM 1033 C TYR A 120 11.849 -4.328 -6.487 1.00 0.49 C ATOM 1034 O TYR A 120 11.049 -3.458 -6.767 1.00 0.70 O ATOM 1035 CB TYR A 120 12.099 -4.283 -3.997 1.00 0.48 C ATOM 1036 CG TYR A 120 13.053 -4.717 -2.902 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.700 -5.957 -2.983 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.283 -3.882 -1.801 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.578 -6.358 -1.970 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.160 -4.284 -0.786 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.808 -5.521 -0.872 1.00 0.75 C ATOM 1042 OH TYR A 120 15.673 -5.918 0.129 1.00 0.91 O ATOM 0 H TYR A 120 13.163 -2.122 -4.762 1.00 0.54 H new ATOM 0 HA TYR A 120 13.613 -4.925 -5.380 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.645 -3.327 -3.735 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.289 -5.006 -4.090 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.521 -6.604 -3.829 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.783 -2.927 -1.735 1.00 0.60 H new ATOM 0 HE1 TYR A 120 15.078 -7.313 -2.035 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.336 -3.640 0.063 1.00 0.71 H new ATOM 0 HH TYR A 120 15.720 -5.221 0.816 1.00 0.91 H new ATOM 1052 N PHE A 121 11.896 -5.442 -7.160 1.00 0.48 N ATOM 1053 CA PHE A 121 10.957 -5.660 -8.291 1.00 0.57 C ATOM 1054 C PHE A 121 9.524 -5.722 -7.732 1.00 0.55 C ATOM 1055 O PHE A 121 9.292 -6.348 -6.717 1.00 0.59 O ATOM 1056 CB PHE A 121 11.303 -6.983 -8.988 1.00 0.68 C ATOM 1057 CG PHE A 121 10.707 -7.002 -10.377 1.00 1.42 C ATOM 1058 CD1 PHE A 121 11.369 -6.361 -11.430 1.00 2.32 C ATOM 1059 CD2 PHE A 121 9.494 -7.663 -10.611 1.00 2.33 C ATOM 1060 CE1 PHE A 121 10.820 -6.379 -12.718 1.00 3.44 C ATOM 1061 CE2 PHE A 121 8.945 -7.681 -11.899 1.00 3.43 C ATOM 1062 CZ PHE A 121 9.608 -7.038 -12.952 1.00 3.85 C ATOM 0 H PHE A 121 12.543 -6.209 -6.976 1.00 0.48 H new ATOM 0 HA PHE A 121 11.036 -4.847 -9.012 1.00 0.57 H new ATOM 0 HB2 PHE A 121 12.385 -7.102 -9.045 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.920 -7.822 -8.407 1.00 0.68 H new ATOM 0 HD1 PHE A 121 12.304 -5.852 -11.249 1.00 2.32 H new ATOM 0 HD2 PHE A 121 8.983 -8.158 -9.799 1.00 2.33 H new ATOM 0 HE1 PHE A 121 11.332 -5.885 -13.530 1.00 3.44 H new ATOM 0 HE2 PHE A 121 8.010 -8.191 -12.081 1.00 3.43 H new ATOM 0 HZ PHE A 121 9.184 -7.051 -13.945 1.00 3.85 H new ATOM 1072 N PRO A 122 8.563 -5.085 -8.365 1.00 0.64 N ATOM 1073 CA PRO A 122 7.155 -5.098 -7.873 1.00 0.67 C ATOM 1074 C PRO A 122 6.442 -6.420 -8.176 1.00 0.73 C ATOM 1075 O PRO A 122 5.907 -6.625 -9.248 1.00 1.19 O ATOM 1076 CB PRO A 122 6.505 -3.939 -8.635 1.00 0.80 C ATOM 1077 CG PRO A 122 7.247 -3.885 -9.930 1.00 1.05 C ATOM 1078 CD PRO A 122 8.691 -4.286 -9.604 1.00 0.87 C ATOM 0 HA PRO A 122 7.098 -4.995 -6.789 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.441 -4.114 -8.793 1.00 0.80 H new ATOM 0 HB3 PRO A 122 6.595 -3.002 -8.086 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.808 -4.565 -10.660 1.00 1.05 H new ATOM 0 HG3 PRO A 122 7.207 -2.885 -10.362 1.00 1.05 H new ATOM 0 HD2 PRO A 122 9.137 -4.867 -10.411 1.00 0.87 H new ATOM 0 HD3 PRO A 122 9.325 -3.412 -9.453 1.00 0.87 H new ATOM 1086 N ASP A 123 6.425 -7.311 -7.226 1.00 0.56 N ATOM 1087 CA ASP A 123 5.743 -8.623 -7.420 1.00 0.64 C ATOM 1088 C ASP A 123 5.285 -9.126 -6.056 1.00 0.58 C ATOM 1089 O ASP A 123 4.926 -10.274 -5.887 1.00 0.65 O ATOM 1090 CB ASP A 123 6.719 -9.626 -8.040 1.00 0.74 C ATOM 1091 CG ASP A 123 7.947 -9.769 -7.138 1.00 0.77 C ATOM 1092 OD1 ASP A 123 8.744 -8.847 -7.106 1.00 1.38 O ATOM 1093 OD2 ASP A 123 8.070 -10.800 -6.497 1.00 1.27 O ATOM 0 H ASP A 123 6.859 -7.186 -6.312 1.00 0.56 H new ATOM 0 HA ASP A 123 4.888 -8.509 -8.087 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.232 -10.593 -8.165 1.00 0.74 H new ATOM 0 HB3 ASP A 123 7.021 -9.290 -9.032 1.00 0.74 H new ATOM 1098 N TRP A 124 5.296 -8.255 -5.080 1.00 0.53 N ATOM 1099 CA TRP A 124 4.865 -8.628 -3.702 1.00 0.52 C ATOM 1100 C TRP A 124 3.533 -7.953 -3.415 1.00 0.51 C ATOM 1101 O TRP A 124 2.821 -8.297 -2.492 1.00 0.55 O ATOM 1102 CB TRP A 124 5.912 -8.125 -2.711 1.00 0.49 C ATOM 1103 CG TRP A 124 6.081 -6.651 -2.902 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.006 -6.065 -3.702 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.309 -5.568 -2.309 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.853 -4.692 -3.627 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.821 -4.338 -2.782 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.228 -5.536 -1.410 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.277 -3.118 -2.381 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.677 -4.310 -1.004 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.202 -3.104 -1.488 1.00 0.55 C ATOM 0 H TRP A 124 5.591 -7.284 -5.183 1.00 0.53 H new ATOM 0 HA TRP A 124 4.761 -9.709 -3.611 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.600 -8.341 -1.689 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.860 -8.638 -2.870 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.741 -6.584 -4.299 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.432 -4.023 -4.134 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.819 -6.460 -1.029 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.683 -2.191 -2.758 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 2.845 -4.296 -0.316 1.00 0.58 H new ATOM 0 HH2 TRP A 124 3.776 -2.164 -1.171 1.00 0.55 H new ATOM 1122 N GLN A 125 3.203 -6.994 -4.216 1.00 0.53 N ATOM 1123 CA GLN A 125 1.921 -6.260 -4.039 1.00 0.60 C ATOM 1124 C GLN A 125 0.772 -7.125 -4.560 1.00 0.66 C ATOM 1125 O GLN A 125 0.699 -7.438 -5.732 1.00 0.84 O ATOM 1126 CB GLN A 125 1.978 -4.939 -4.821 1.00 0.69 C ATOM 1127 CG GLN A 125 2.718 -5.158 -6.152 1.00 1.56 C ATOM 1128 CD GLN A 125 2.320 -4.071 -7.156 1.00 2.18 C ATOM 1129 OE1 GLN A 125 3.036 -3.108 -7.341 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.202 -4.190 -7.817 1.00 2.82 N ATOM 0 H GLN A 125 3.772 -6.678 -5.001 1.00 0.53 H new ATOM 0 HA GLN A 125 1.760 -6.043 -2.983 1.00 0.60 H new ATOM 0 HB2 GLN A 125 0.969 -4.573 -5.010 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.488 -4.177 -4.231 1.00 0.69 H new ATOM 0 HG2 GLN A 125 3.795 -5.136 -5.987 1.00 1.56 H new ATOM 0 HG3 GLN A 125 2.477 -6.142 -6.554 1.00 1.56 H new ATOM 0 HE21 GLN A 125 0.601 -4.999 -7.661 1.00 2.82 H new ATOM 0 HE22 GLN A 125 0.929 -3.474 -8.490 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.125 -7.515 -3.701 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.266 -8.360 -4.147 1.00 0.72 C ATOM 1141 C ASN A 126 -2.425 -8.194 -3.166 1.00 0.69 C ATOM 1142 O ASN A 126 -2.228 -7.843 -2.021 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.826 -9.825 -4.189 1.00 0.84 C ATOM 1144 CG ASN A 126 0.072 -10.053 -5.409 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -0.390 -10.494 -6.443 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.345 -9.769 -5.332 1.00 0.88 N ATOM 0 H ASN A 126 -0.118 -7.285 -2.707 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.588 -8.054 -5.143 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.289 -10.081 -3.276 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.698 -10.477 -4.239 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.950 -9.917 -6.139 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.733 -9.399 -4.465 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.629 -8.443 -3.606 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.811 -8.294 -2.707 1.00 0.61 C ATOM 1155 C TYR A 127 -5.993 -9.055 -3.308 1.00 0.63 C ATOM 1156 O TYR A 127 -5.965 -9.456 -4.455 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.200 -6.813 -2.588 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.007 -5.979 -2.179 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.171 -5.428 -3.156 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.741 -5.754 -0.821 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.067 -4.653 -2.778 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.637 -4.979 -0.444 1.00 1.19 C ATOM 1163 CZ TYR A 127 -1.801 -4.428 -1.423 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.713 -3.664 -1.052 1.00 1.48 O ATOM 0 H TYR A 127 -3.846 -8.745 -4.556 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.559 -8.687 -1.722 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.590 -6.456 -3.541 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.998 -6.699 -1.855 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.377 -5.600 -4.202 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.387 -6.178 -0.066 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -1.421 -4.229 -3.533 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.430 -4.806 0.602 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.205 -4.134 -0.358 1.00 1.48 H new ATOM 1174 N THR A 128 -7.031 -9.263 -2.545 1.00 0.62 N ATOM 1175 CA THR A 128 -8.209 -10.001 -3.081 1.00 0.68 C ATOM 1176 C THR A 128 -8.832 -9.193 -4.236 1.00 0.75 C ATOM 1177 O THR A 128 -9.012 -7.997 -4.116 1.00 0.97 O ATOM 1178 CB THR A 128 -9.247 -10.178 -1.970 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.525 -8.917 -1.378 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.703 -11.136 -0.909 1.00 0.90 C ATOM 0 H THR A 128 -7.114 -8.955 -1.576 1.00 0.62 H new ATOM 0 HA THR A 128 -7.893 -10.979 -3.445 1.00 0.68 H new ATOM 0 HB THR A 128 -10.164 -10.590 -2.391 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.404 -8.209 -2.045 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.443 -11.261 -0.118 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.492 -12.103 -1.366 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.785 -10.727 -0.486 1.00 0.90 H new ATOM 1188 N PRO A 129 -9.167 -9.820 -5.346 1.00 0.88 N ATOM 1189 CA PRO A 129 -9.778 -9.106 -6.507 1.00 1.15 C ATOM 1190 C PRO A 129 -11.269 -8.817 -6.291 1.00 1.51 C ATOM 1191 O PRO A 129 -12.123 -9.487 -6.835 1.00 2.29 O ATOM 1192 CB PRO A 129 -9.581 -10.091 -7.664 1.00 1.51 C ATOM 1193 CG PRO A 129 -9.644 -11.434 -7.016 1.00 1.27 C ATOM 1194 CD PRO A 129 -9.008 -11.263 -5.632 1.00 1.09 C ATOM 0 HA PRO A 129 -9.323 -8.130 -6.678 1.00 1.15 H new ATOM 0 HB2 PRO A 129 -10.357 -9.977 -8.421 1.00 1.51 H new ATOM 0 HB3 PRO A 129 -8.625 -9.934 -8.162 1.00 1.51 H new ATOM 0 HG2 PRO A 129 -10.674 -11.779 -6.932 1.00 1.27 H new ATOM 0 HG3 PRO A 129 -9.106 -12.177 -7.604 1.00 1.27 H new ATOM 0 HD2 PRO A 129 -9.509 -11.877 -4.883 1.00 1.09 H new ATOM 0 HD3 PRO A 129 -7.958 -11.557 -5.635 1.00 1.09 H new ATOM 1202 N GLY A 130 -11.588 -7.827 -5.502 1.00 1.64 N ATOM 1203 CA GLY A 130 -13.024 -7.507 -5.261 1.00 2.18 C ATOM 1204 C GLY A 130 -13.138 -6.156 -4.551 1.00 1.76 C ATOM 1205 O GLY A 130 -12.166 -5.624 -4.056 1.00 1.92 O ATOM 0 H GLY A 130 -10.920 -7.229 -5.016 1.00 1.64 H new ATOM 0 HA2 GLY A 130 -13.564 -7.478 -6.207 1.00 2.18 H new ATOM 0 HA3 GLY A 130 -13.484 -8.287 -4.655 1.00 2.18 H new ATOM 1209 N PRO A 131 -14.325 -5.609 -4.497 1.00 1.94 N ATOM 1210 CA PRO A 131 -14.582 -4.297 -3.832 1.00 2.04 C ATOM 1211 C PRO A 131 -14.595 -4.420 -2.302 1.00 1.43 C ATOM 1212 O PRO A 131 -14.318 -5.467 -1.750 1.00 1.44 O ATOM 1213 CB PRO A 131 -15.968 -3.904 -4.357 1.00 2.91 C ATOM 1214 CG PRO A 131 -16.654 -5.208 -4.614 1.00 3.25 C ATOM 1215 CD PRO A 131 -15.560 -6.179 -5.069 1.00 2.75 C ATOM 0 HA PRO A 131 -13.807 -3.562 -4.051 1.00 2.04 H new ATOM 0 HB2 PRO A 131 -16.514 -3.305 -3.628 1.00 2.91 H new ATOM 0 HB3 PRO A 131 -15.894 -3.308 -5.267 1.00 2.91 H new ATOM 0 HG2 PRO A 131 -17.149 -5.572 -3.714 1.00 3.25 H new ATOM 0 HG3 PRO A 131 -17.423 -5.100 -5.379 1.00 3.25 H new ATOM 0 HD2 PRO A 131 -15.743 -7.189 -4.701 1.00 2.75 H new ATOM 0 HD3 PRO A 131 -15.506 -6.241 -6.156 1.00 2.75 H new ATOM 1223 N GLY A 132 -14.921 -3.358 -1.616 1.00 1.58 N ATOM 1224 CA GLY A 132 -14.959 -3.410 -0.128 1.00 1.44 C ATOM 1225 C GLY A 132 -13.542 -3.582 0.423 1.00 1.21 C ATOM 1226 O GLY A 132 -12.572 -3.181 -0.189 1.00 1.21 O ATOM 0 H GLY A 132 -15.163 -2.455 -2.024 1.00 1.58 H new ATOM 0 HA2 GLY A 132 -15.403 -2.496 0.265 1.00 1.44 H new ATOM 0 HA3 GLY A 132 -15.589 -4.237 0.200 1.00 1.44 H new ATOM 1230 N ILE A 133 -13.418 -4.178 1.578 1.00 1.11 N ATOM 1231 CA ILE A 133 -12.071 -4.381 2.178 1.00 0.94 C ATOM 1232 C ILE A 133 -11.130 -4.983 1.133 1.00 0.92 C ATOM 1233 O ILE A 133 -11.528 -5.299 0.030 1.00 1.52 O ATOM 1234 CB ILE A 133 -12.209 -5.334 3.371 1.00 0.99 C ATOM 1235 CG1 ILE A 133 -13.169 -4.716 4.399 1.00 1.14 C ATOM 1236 CG2 ILE A 133 -10.839 -5.582 4.028 1.00 0.98 C ATOM 1237 CD1 ILE A 133 -13.676 -5.810 5.333 1.00 1.56 C ATOM 0 H ILE A 133 -14.196 -4.534 2.133 1.00 1.11 H new ATOM 0 HA ILE A 133 -11.659 -3.429 2.512 1.00 0.94 H new ATOM 0 HB ILE A 133 -12.602 -6.288 3.020 1.00 0.99 H new ATOM 0 HG12 ILE A 133 -12.659 -3.941 4.971 1.00 1.14 H new ATOM 0 HG13 ILE A 133 -14.007 -4.238 3.891 1.00 1.14 H new ATOM 0 HG21 ILE A 133 -10.958 -6.261 4.873 1.00 0.98 H new ATOM 0 HG22 ILE A 133 -10.161 -6.025 3.299 1.00 0.98 H new ATOM 0 HG23 ILE A 133 -10.427 -4.636 4.378 1.00 0.98 H new ATOM 0 HD11 ILE A 133 -14.358 -5.377 6.065 1.00 1.56 H new ATOM 0 HD12 ILE A 133 -14.201 -6.569 4.753 1.00 1.56 H new ATOM 0 HD13 ILE A 133 -12.832 -6.267 5.850 1.00 1.56 H new ATOM 1249 N ARG A 134 -9.886 -5.144 1.477 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.907 -5.725 0.520 1.00 0.49 C ATOM 1251 C ARG A 134 -7.678 -6.173 1.316 1.00 0.40 C ATOM 1252 O ARG A 134 -6.781 -5.398 1.588 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.519 -4.651 -0.530 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.963 -5.083 -1.934 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.616 -3.982 -2.937 1.00 1.37 C ATOM 1256 NE ARG A 134 -9.097 -4.371 -4.292 1.00 1.86 N ATOM 1257 CZ ARG A 134 -9.181 -3.474 -5.236 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -8.845 -2.236 -4.991 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -9.600 -3.814 -6.424 1.00 3.36 N ATOM 0 H ARG A 134 -9.501 -4.896 2.389 1.00 0.51 H new ATOM 0 HA ARG A 134 -9.333 -6.579 -0.006 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.983 -3.699 -0.273 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.440 -4.494 -0.516 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -8.469 -6.014 -2.213 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.036 -5.276 -1.945 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -9.075 -3.041 -2.633 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -7.538 -3.819 -2.955 1.00 1.37 H new ATOM 0 HE ARG A 134 -9.361 -5.338 -4.482 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -8.517 -1.971 -4.062 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -8.910 -1.534 -5.728 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -9.862 -4.781 -6.615 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -9.666 -3.113 -7.162 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.638 -7.419 1.704 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.480 -7.918 2.494 1.00 0.39 C ATOM 1275 C TYR A 135 -5.332 -8.282 1.540 1.00 0.36 C ATOM 1276 O TYR A 135 -5.567 -8.667 0.411 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.909 -9.161 3.288 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.341 -9.005 3.739 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.387 -9.347 2.873 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.625 -8.522 5.022 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.716 -9.208 3.290 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.954 -8.382 5.439 1.00 0.85 C ATOM 1283 CZ TYR A 135 -11.000 -8.726 4.572 1.00 0.92 C ATOM 1284 OH TYR A 135 -12.309 -8.592 4.982 1.00 1.17 O ATOM 0 H TYR A 135 -8.359 -8.113 1.507 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.143 -7.145 3.184 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -6.807 -10.053 2.670 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.258 -9.296 4.152 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.168 -9.718 1.883 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.819 -8.257 5.690 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.522 -9.473 2.622 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -10.173 -8.009 6.429 1.00 0.85 H new ATOM 0 HH TYR A 135 -12.337 -8.480 5.955 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.099 -8.171 1.981 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.922 -8.506 1.132 1.00 0.38 C ATOM 1296 C PRO A 136 -2.702 -10.019 1.035 1.00 0.37 C ATOM 1297 O PRO A 136 -2.477 -10.685 2.026 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.761 -7.835 1.866 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.157 -7.885 3.305 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.680 -7.717 3.324 1.00 0.44 C ATOM 0 HA PRO A 136 -3.040 -8.168 0.102 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.823 -8.362 1.693 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.617 -6.809 1.528 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.862 -8.831 3.759 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.669 -7.093 3.873 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.139 -8.316 4.111 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -3.966 -6.681 3.504 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.758 -10.565 -0.147 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.544 -12.031 -0.288 1.00 0.43 C ATOM 1310 C LEU A 137 -1.141 -12.375 0.211 1.00 0.41 C ATOM 1311 O LEU A 137 -0.944 -13.334 0.929 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.681 -12.432 -1.758 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.077 -12.045 -2.267 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.189 -12.340 -3.775 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.159 -12.816 -1.479 1.00 0.92 C ATOM 0 H LEU A 137 -2.941 -10.063 -1.016 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.287 -12.572 0.298 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.915 -11.936 -2.354 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.526 -13.505 -1.869 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.231 -10.977 -2.112 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.182 -12.062 -4.127 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.438 -11.763 -4.315 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -4.026 -13.403 -3.951 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -6.146 -12.535 -1.847 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -5.013 -13.888 -1.614 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -5.083 -12.570 -0.420 1.00 0.92 H new ATOM 1327 N THR A 138 -0.166 -11.590 -0.157 1.00 0.50 N ATOM 1328 CA THR A 138 1.222 -11.863 0.306 1.00 0.55 C ATOM 1329 C THR A 138 1.294 -11.646 1.818 1.00 0.47 C ATOM 1330 O THR A 138 0.534 -10.886 2.385 1.00 0.50 O ATOM 1331 CB THR A 138 2.201 -10.913 -0.405 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.566 -9.660 -0.623 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.618 -11.513 -1.749 1.00 1.04 C ATOM 0 H THR A 138 -0.271 -10.772 -0.758 1.00 0.50 H new ATOM 0 HA THR A 138 1.494 -12.892 0.071 1.00 0.55 H new ATOM 0 HB THR A 138 3.085 -10.773 0.217 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.909 -9.258 -1.448 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.311 -10.837 -2.250 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.104 -12.474 -1.583 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.736 -11.656 -2.373 1.00 1.04 H new ATOM 1341 N PHE A 139 2.204 -12.313 2.474 1.00 0.51 N ATOM 1342 CA PHE A 139 2.339 -12.158 3.955 1.00 0.49 C ATOM 1343 C PHE A 139 3.467 -11.172 4.270 1.00 0.65 C ATOM 1344 O PHE A 139 4.321 -10.907 3.449 1.00 1.43 O ATOM 1345 CB PHE A 139 2.669 -13.515 4.577 1.00 0.52 C ATOM 1346 CG PHE A 139 2.588 -13.415 6.083 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.339 -13.369 6.715 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.760 -13.369 6.849 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.262 -13.278 8.109 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.683 -13.278 8.244 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.435 -13.232 8.874 1.00 0.66 C ATOM 0 H PHE A 139 2.864 -12.963 2.047 1.00 0.51 H new ATOM 0 HA PHE A 139 1.402 -11.781 4.365 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.973 -14.271 4.215 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.668 -13.831 4.277 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.435 -13.404 6.126 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.724 -13.404 6.363 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.298 -13.243 8.595 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.587 -13.243 8.834 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.376 -13.161 9.950 1.00 0.66 H new ATOM 1361 N GLY A 140 3.476 -10.632 5.459 1.00 0.46 N ATOM 1362 CA GLY A 140 4.550 -9.666 5.847 1.00 0.43 C ATOM 1363 C GLY A 140 4.062 -8.232 5.627 1.00 0.35 C ATOM 1364 O GLY A 140 4.356 -7.340 6.397 1.00 0.32 O ATOM 0 H GLY A 140 2.783 -10.818 6.184 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.822 -9.811 6.893 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.447 -9.849 5.256 1.00 0.43 H new ATOM 1368 N TRP A 141 3.318 -8.005 4.584 1.00 0.34 N ATOM 1369 CA TRP A 141 2.809 -6.627 4.313 1.00 0.29 C ATOM 1370 C TRP A 141 1.648 -6.341 5.268 1.00 0.32 C ATOM 1371 O TRP A 141 0.537 -6.792 5.074 1.00 0.40 O ATOM 1372 CB TRP A 141 2.367 -6.549 2.846 1.00 0.33 C ATOM 1373 CG TRP A 141 2.121 -5.133 2.395 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.006 -4.742 1.734 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.962 -3.932 2.512 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.097 -3.399 1.440 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.273 -2.850 1.902 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.230 -3.661 3.081 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.814 -1.566 1.851 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.771 -2.365 3.030 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.065 -1.320 2.417 1.00 0.33 C ATOM 0 H TRP A 141 3.038 -8.712 3.904 1.00 0.34 H new ATOM 0 HA TRP A 141 3.582 -5.877 4.478 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.132 -7.001 2.214 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.457 -7.133 2.712 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.175 -5.383 1.477 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.379 -2.874 0.940 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.785 -4.456 3.557 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.267 -0.765 1.375 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.740 -2.172 3.467 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.489 -0.327 2.383 1.00 0.33 H new ATOM 1392 N CYS A 142 1.924 -5.624 6.328 1.00 0.31 N ATOM 1393 CA CYS A 142 0.878 -5.332 7.344 1.00 0.40 C ATOM 1394 C CYS A 142 -0.024 -4.170 6.908 1.00 0.39 C ATOM 1395 O CYS A 142 -0.457 -3.384 7.729 1.00 0.48 O ATOM 1396 CB CYS A 142 1.583 -4.973 8.654 1.00 0.47 C ATOM 1397 SG CYS A 142 3.151 -5.872 8.759 1.00 1.45 S ATOM 0 H CYS A 142 2.841 -5.226 6.531 1.00 0.31 H new ATOM 0 HA CYS A 142 0.243 -6.209 7.467 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.763 -3.899 8.700 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.948 -5.227 9.503 1.00 0.47 H new ATOM 0 HG CYS A 142 3.331 -6.559 7.670 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.315 -4.052 5.639 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.197 -2.935 5.160 1.00 0.40 C ATOM 1405 C TYR A 143 -2.525 -3.529 4.674 1.00 0.43 C ATOM 1406 O TYR A 143 -2.562 -4.337 3.768 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.485 -2.191 4.008 1.00 0.55 C ATOM 1408 CG TYR A 143 0.202 -0.943 4.530 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.564 0.171 4.890 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.598 -0.901 4.651 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.063 1.328 5.372 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.225 0.255 5.132 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.457 1.370 5.492 1.00 3.52 C ATOM 1414 OH TYR A 143 2.074 2.510 5.967 1.00 4.57 O ATOM 0 H TYR A 143 0.019 -4.680 4.908 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.395 -2.230 5.967 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.248 -2.848 3.540 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.209 -1.921 3.239 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.639 0.139 4.796 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.190 -1.760 4.373 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.529 2.187 5.651 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.300 0.287 5.225 1.00 3.14 H new ATOM 0 HH TYR A 143 3.044 2.372 5.989 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.615 -3.125 5.282 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.962 -3.646 4.883 1.00 0.51 C ATOM 1426 C LYS A 144 -5.840 -2.477 4.436 1.00 0.43 C ATOM 1427 O LYS A 144 -6.136 -1.584 5.204 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.619 -4.330 6.091 1.00 0.70 C ATOM 1429 CG LYS A 144 -6.807 -5.182 5.626 1.00 1.21 C ATOM 1430 CD LYS A 144 -7.745 -5.452 6.806 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.957 -6.078 7.958 1.00 1.57 C ATOM 1432 NZ LYS A 144 -7.907 -6.611 8.975 1.00 2.32 N ATOM 0 H LYS A 144 -3.629 -2.449 6.046 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.851 -4.361 4.068 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -4.891 -4.956 6.606 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -5.956 -3.580 6.806 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -7.347 -4.667 4.831 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.450 -6.124 5.210 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -8.210 -4.522 7.134 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -8.550 -6.120 6.498 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -6.320 -6.879 7.584 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -6.301 -5.334 8.411 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -7.373 -7.037 9.759 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -8.497 -5.836 9.339 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -8.515 -7.333 8.538 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.270 -2.478 3.205 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.135 -1.366 2.726 1.00 0.37 C ATOM 1448 C LEU A 145 -8.530 -1.539 3.334 1.00 0.38 C ATOM 1449 O LEU A 145 -8.997 -2.646 3.522 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.215 -1.401 1.193 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.933 -0.795 0.578 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.700 -1.382 -0.820 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.069 0.733 0.464 1.00 0.52 C ATOM 0 H LEU A 145 -6.061 -3.198 2.513 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.720 -0.405 3.030 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.340 -2.428 0.851 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.088 -0.844 0.854 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.089 -1.036 1.225 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.795 -0.952 -1.249 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.588 -2.464 -0.746 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.551 -1.148 -1.459 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.160 1.148 0.029 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.919 0.976 -0.173 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.225 1.159 1.455 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.191 -0.458 3.658 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.547 -0.559 4.281 1.00 0.50 C ATOM 1467 C VAL A 146 -11.293 0.776 4.075 1.00 0.59 C ATOM 1468 O VAL A 146 -10.754 1.826 4.368 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.387 -0.786 5.803 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.757 -0.758 6.492 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.732 -2.144 6.080 1.00 0.56 C ATOM 0 H VAL A 146 -8.850 0.493 3.518 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.099 -1.382 3.827 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.757 0.012 6.195 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.629 -0.919 7.562 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.229 0.210 6.324 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.388 -1.545 6.079 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.628 -2.285 7.156 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.354 -2.939 5.668 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.747 -2.175 5.613 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.528 0.757 3.603 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.318 2.009 3.419 1.00 0.81 C ATOM 1483 C PRO A 147 -13.940 2.466 4.742 1.00 0.91 C ATOM 1484 O PRO A 147 -15.031 2.066 5.097 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.408 1.597 2.430 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.655 0.152 2.727 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.307 -0.429 3.184 1.00 0.75 C ATOM 0 HA PRO A 147 -12.711 2.844 3.069 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.312 2.190 2.566 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.084 1.741 1.399 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.411 0.038 3.504 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.024 -0.369 1.844 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.434 -1.133 4.006 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.811 -0.968 2.377 1.00 0.75 H new ATOM 1495 N VAL A 148 -13.253 3.291 5.479 1.00 1.17 N ATOM 1496 CA VAL A 148 -13.799 3.760 6.779 1.00 1.29 C ATOM 1497 C VAL A 148 -14.714 4.954 6.538 1.00 1.32 C ATOM 1498 O VAL A 148 -15.502 4.978 5.617 1.00 1.88 O ATOM 1499 CB VAL A 148 -12.635 4.165 7.701 1.00 1.89 C ATOM 1500 CG1 VAL A 148 -13.089 4.138 9.171 1.00 2.07 C ATOM 1501 CG2 VAL A 148 -11.473 3.186 7.505 1.00 2.31 C ATOM 0 H VAL A 148 -12.334 3.661 5.236 1.00 1.17 H new ATOM 0 HA VAL A 148 -14.370 2.962 7.253 1.00 1.29 H new ATOM 0 HB VAL A 148 -12.313 5.176 7.450 1.00 1.89 H new ATOM 0 HG11 VAL A 148 -12.257 4.426 9.814 1.00 2.07 H new ATOM 0 HG12 VAL A 148 -13.914 4.837 9.310 1.00 2.07 H new ATOM 0 HG13 VAL A 148 -13.418 3.132 9.432 1.00 2.07 H new ATOM 0 HG21 VAL A 148 -10.646 3.468 8.156 1.00 2.31 H new ATOM 0 HG22 VAL A 148 -11.802 2.177 7.753 1.00 2.31 H new ATOM 0 HG23 VAL A 148 -11.144 3.215 6.466 1.00 2.31 H new ATOM 1511 N GLU A 149 -14.606 5.932 7.378 1.00 1.71 N ATOM 1512 CA GLU A 149 -15.453 7.159 7.266 1.00 2.15 C ATOM 1513 C GLU A 149 -14.709 8.324 7.928 1.00 2.52 C ATOM 1514 O GLU A 149 -14.922 8.613 9.089 1.00 2.96 O ATOM 1515 CB GLU A 149 -16.771 6.968 8.036 1.00 3.00 C ATOM 1516 CG GLU A 149 -17.546 5.756 7.517 1.00 3.61 C ATOM 1517 CD GLU A 149 -17.861 5.938 6.031 1.00 4.55 C ATOM 1518 OE1 GLU A 149 -18.001 7.075 5.610 1.00 5.02 O ATOM 1519 OE2 GLU A 149 -17.957 4.938 5.338 1.00 5.12 O ATOM 0 H GLU A 149 -13.952 5.941 8.161 1.00 1.71 H new ATOM 0 HA GLU A 149 -15.657 7.352 6.213 1.00 2.15 H new ATOM 0 HB2 GLU A 149 -16.559 6.840 9.098 1.00 3.00 H new ATOM 0 HB3 GLU A 149 -17.385 7.864 7.939 1.00 3.00 H new ATOM 0 HG2 GLU A 149 -16.961 4.848 7.665 1.00 3.61 H new ATOM 0 HG3 GLU A 149 -18.470 5.635 8.082 1.00 3.61 H new ATOM 1526 N PRO A 150 -13.836 8.986 7.211 1.00 3.13 N ATOM 1527 CA PRO A 150 -13.056 10.127 7.769 1.00 4.08 C ATOM 1528 C PRO A 150 -13.926 11.058 8.610 1.00 4.33 C ATOM 1529 O PRO A 150 -13.481 11.648 9.575 1.00 4.84 O ATOM 1530 CB PRO A 150 -12.519 10.830 6.520 1.00 4.93 C ATOM 1531 CG PRO A 150 -12.363 9.734 5.515 1.00 4.81 C ATOM 1532 CD PRO A 150 -13.494 8.735 5.798 1.00 3.63 C ATOM 0 HA PRO A 150 -12.267 9.804 8.449 1.00 4.08 H new ATOM 0 HB2 PRO A 150 -13.209 11.597 6.168 1.00 4.93 H new ATOM 0 HB3 PRO A 150 -11.568 11.324 6.720 1.00 4.93 H new ATOM 0 HG2 PRO A 150 -12.432 10.124 4.499 1.00 4.81 H new ATOM 0 HG3 PRO A 150 -11.388 9.256 5.608 1.00 4.81 H new ATOM 0 HD2 PRO A 150 -14.349 8.902 5.143 1.00 3.63 H new ATOM 0 HD3 PRO A 150 -13.169 7.707 5.641 1.00 3.63 H new ATOM 1540 N GLU A 151 -15.168 11.175 8.257 1.00 4.44 N ATOM 1541 CA GLU A 151 -16.091 12.048 9.034 1.00 5.08 C ATOM 1542 C GLU A 151 -16.232 11.488 10.450 1.00 5.48 C ATOM 1543 O GLU A 151 -16.736 10.400 10.646 1.00 5.61 O ATOM 1544 CB GLU A 151 -17.463 12.073 8.357 1.00 5.57 C ATOM 1545 CG GLU A 151 -17.314 12.579 6.921 1.00 5.87 C ATOM 1546 CD GLU A 151 -18.691 12.662 6.263 1.00 6.47 C ATOM 1547 OE1 GLU A 151 -19.613 13.121 6.918 1.00 6.96 O ATOM 1548 OE2 GLU A 151 -18.802 12.266 5.114 1.00 6.74 O ATOM 0 H GLU A 151 -15.591 10.702 7.458 1.00 4.44 H new ATOM 0 HA GLU A 151 -15.691 13.061 9.075 1.00 5.08 H new ATOM 0 HB2 GLU A 151 -17.899 11.074 8.358 1.00 5.57 H new ATOM 0 HB3 GLU A 151 -18.143 12.719 8.913 1.00 5.57 H new ATOM 0 HG2 GLU A 151 -16.838 13.560 6.917 1.00 5.87 H new ATOM 0 HG3 GLU A 151 -16.668 11.909 6.353 1.00 5.87 H new ATOM 1555 N LYS A 152 -15.787 12.211 11.442 1.00 6.06 N ATOM 1556 CA LYS A 152 -15.893 11.706 12.838 1.00 6.80 C ATOM 1557 C LYS A 152 -17.280 12.041 13.395 1.00 7.18 C ATOM 1558 O LYS A 152 -18.291 11.716 12.806 1.00 7.59 O ATOM 1559 CB LYS A 152 -14.804 12.366 13.693 1.00 7.59 C ATOM 1560 CG LYS A 152 -14.578 11.555 14.973 1.00 7.87 C ATOM 1561 CD LYS A 152 -13.376 12.126 15.729 1.00 8.73 C ATOM 1562 CE LYS A 152 -13.251 11.436 17.089 1.00 9.22 C ATOM 1563 NZ LYS A 152 -14.302 11.957 18.008 1.00 9.63 N ATOM 0 H LYS A 152 -15.355 13.130 11.344 1.00 6.06 H new ATOM 0 HA LYS A 152 -15.757 10.625 12.856 1.00 6.80 H new ATOM 0 HB2 LYS A 152 -13.875 12.432 13.126 1.00 7.59 H new ATOM 0 HB3 LYS A 152 -15.096 13.385 13.946 1.00 7.59 H new ATOM 0 HG2 LYS A 152 -15.468 11.591 15.602 1.00 7.87 H new ATOM 0 HG3 LYS A 152 -14.403 10.508 14.727 1.00 7.87 H new ATOM 0 HD2 LYS A 152 -12.465 11.978 15.149 1.00 8.73 H new ATOM 0 HD3 LYS A 152 -13.496 13.201 15.865 1.00 8.73 H new ATOM 0 HE2 LYS A 152 -13.356 10.357 16.973 1.00 9.22 H new ATOM 0 HE3 LYS A 152 -12.262 11.616 17.511 1.00 9.22 H new ATOM 0 HZ1 LYS A 152 -13.852 12.408 18.830 1.00 9.63 H new ATOM 0 HZ2 LYS A 152 -14.887 12.656 17.506 1.00 9.63 H new ATOM 0 HZ3 LYS A 152 -14.902 11.171 18.330 1.00 9.63 H new ATOM 1577 N LEU A 153 -17.333 12.686 14.527 1.00 7.34 N ATOM 1578 CA LEU A 153 -18.653 13.043 15.131 1.00 7.98 C ATOM 1579 C LEU A 153 -19.136 14.374 14.540 1.00 8.11 C ATOM 1580 O LEU A 153 -18.777 15.436 15.008 1.00 8.31 O ATOM 1581 CB LEU A 153 -18.500 13.168 16.664 1.00 8.45 C ATOM 1582 CG LEU A 153 -18.826 11.831 17.349 1.00 8.93 C ATOM 1583 CD1 LEU A 153 -17.787 10.777 16.962 1.00 9.23 C ATOM 1584 CD2 LEU A 153 -18.809 12.022 18.868 1.00 9.46 C ATOM 0 H LEU A 153 -16.518 12.983 15.064 1.00 7.34 H new ATOM 0 HA LEU A 153 -19.384 12.266 14.909 1.00 7.98 H new ATOM 0 HB2 LEU A 153 -17.482 13.471 16.910 1.00 8.45 H new ATOM 0 HB3 LEU A 153 -19.164 13.947 17.039 1.00 8.45 H new ATOM 0 HG LEU A 153 -19.813 11.497 17.028 1.00 8.93 H new ATOM 0 HD11 LEU A 153 -18.026 9.833 17.452 1.00 9.23 H new ATOM 0 HD12 LEU A 153 -17.796 10.637 15.881 1.00 9.23 H new ATOM 0 HD13 LEU A 153 -16.798 11.109 17.277 1.00 9.23 H new ATOM 0 HD21 LEU A 153 -19.040 11.075 19.356 1.00 9.46 H new ATOM 0 HD22 LEU A 153 -17.821 12.360 19.181 1.00 9.46 H new ATOM 0 HD23 LEU A 153 -19.554 12.767 19.149 1.00 9.46 H new ATOM 1596 N GLU A 154 -19.957 14.321 13.527 1.00 8.27 N ATOM 1597 CA GLU A 154 -20.473 15.578 12.911 1.00 8.64 C ATOM 1598 C GLU A 154 -21.742 15.260 12.119 1.00 8.97 C ATOM 1599 O GLU A 154 -22.287 14.178 12.210 1.00 9.31 O ATOM 1600 CB GLU A 154 -19.424 16.164 11.955 1.00 9.08 C ATOM 1601 CG GLU A 154 -18.256 16.773 12.745 1.00 9.38 C ATOM 1602 CD GLU A 154 -17.478 17.740 11.848 1.00 9.91 C ATOM 1603 OE1 GLU A 154 -17.395 17.476 10.660 1.00 10.18 O ATOM 1604 OE2 GLU A 154 -16.981 18.726 12.365 1.00 10.25 O ATOM 0 H GLU A 154 -20.294 13.459 13.098 1.00 8.27 H new ATOM 0 HA GLU A 154 -20.688 16.301 13.698 1.00 8.64 H new ATOM 0 HB2 GLU A 154 -19.053 15.384 11.290 1.00 9.08 H new ATOM 0 HB3 GLU A 154 -19.883 16.927 11.326 1.00 9.08 H new ATOM 0 HG2 GLU A 154 -18.632 17.298 13.623 1.00 9.38 H new ATOM 0 HG3 GLU A 154 -17.596 15.984 13.104 1.00 9.38 H new ATOM 1611 N GLU A 155 -22.219 16.194 11.342 1.00 9.09 N ATOM 1612 CA GLU A 155 -23.455 15.942 10.547 1.00 9.60 C ATOM 1613 C GLU A 155 -23.600 17.020 9.472 1.00 9.70 C ATOM 1614 O GLU A 155 -23.507 18.200 9.744 1.00 10.09 O ATOM 1615 CB GLU A 155 -24.672 15.978 11.474 1.00 10.07 C ATOM 1616 CG GLU A 155 -25.933 15.650 10.672 1.00 10.61 C ATOM 1617 CD GLU A 155 -27.085 15.351 11.634 1.00 11.03 C ATOM 1618 OE1 GLU A 155 -26.886 14.557 12.539 1.00 11.33 O ATOM 1619 OE2 GLU A 155 -28.147 15.924 11.450 1.00 11.24 O ATOM 0 H GLU A 155 -21.807 17.120 11.223 1.00 9.09 H new ATOM 0 HA GLU A 155 -23.388 14.963 10.072 1.00 9.60 H new ATOM 0 HB2 GLU A 155 -24.547 15.260 12.285 1.00 10.07 H new ATOM 0 HB3 GLU A 155 -24.765 16.963 11.932 1.00 10.07 H new ATOM 0 HG2 GLU A 155 -26.193 16.487 10.025 1.00 10.61 H new ATOM 0 HG3 GLU A 155 -25.753 14.791 10.025 1.00 10.61 H new ATOM 1626 N ALA A 156 -23.828 16.623 8.250 1.00 9.56 N ATOM 1627 CA ALA A 156 -23.981 17.623 7.157 1.00 9.82 C ATOM 1628 C ALA A 156 -24.670 16.967 5.960 1.00 9.59 C ATOM 1629 O ALA A 156 -24.631 15.764 5.792 1.00 9.64 O ATOM 1630 CB ALA A 156 -22.602 18.134 6.735 1.00 9.95 C ATOM 0 H ALA A 156 -23.915 15.648 7.962 1.00 9.56 H new ATOM 0 HA ALA A 156 -24.584 18.459 7.511 1.00 9.82 H new ATOM 0 HB1 ALA A 156 -22.714 18.866 5.935 1.00 9.95 H new ATOM 0 HB2 ALA A 156 -22.110 18.602 7.588 1.00 9.95 H new ATOM 0 HB3 ALA A 156 -21.997 17.299 6.381 1.00 9.95 H new ATOM 1636 N ASN A 157 -25.300 17.747 5.125 1.00 9.56 N ATOM 1637 CA ASN A 157 -25.992 17.168 3.937 1.00 9.52 C ATOM 1638 C ASN A 157 -24.974 16.934 2.818 1.00 9.04 C ATOM 1639 O ASN A 157 -24.650 17.831 2.065 1.00 9.05 O ATOM 1640 CB ASN A 157 -27.071 18.142 3.454 1.00 10.08 C ATOM 1641 CG ASN A 157 -27.848 18.681 4.657 1.00 10.54 C ATOM 1642 OD1 ASN A 157 -28.444 17.926 5.398 1.00 10.93 O ATOM 1643 ND2 ASN A 157 -27.865 19.967 4.885 1.00 10.75 N ATOM 0 H ASN A 157 -25.366 18.761 5.213 1.00 9.56 H new ATOM 0 HA ASN A 157 -26.454 16.219 4.209 1.00 9.52 H new ATOM 0 HB2 ASN A 157 -26.613 18.965 2.905 1.00 10.08 H new ATOM 0 HB3 ASN A 157 -27.749 17.638 2.766 1.00 10.08 H new ATOM 0 HD21 ASN A 157 -28.379 20.336 5.685 1.00 10.75 H new ATOM 0 HD22 ASN A 157 -27.365 20.602 4.263 1.00 10.75 H new ATOM 1650 N LYS A 158 -24.463 15.736 2.703 1.00 8.83 N ATOM 1651 CA LYS A 158 -23.465 15.452 1.632 1.00 8.52 C ATOM 1652 C LYS A 158 -23.426 13.948 1.350 1.00 8.03 C ATOM 1653 O LYS A 158 -23.365 13.137 2.253 1.00 8.18 O ATOM 1654 CB LYS A 158 -22.077 15.914 2.090 1.00 8.88 C ATOM 1655 CG LYS A 158 -21.092 15.872 0.906 1.00 9.31 C ATOM 1656 CD LYS A 158 -19.653 15.748 1.422 1.00 9.87 C ATOM 1657 CE LYS A 158 -19.282 16.997 2.224 1.00 10.59 C ATOM 1658 NZ LYS A 158 -19.501 18.211 1.388 1.00 10.96 N ATOM 0 H LYS A 158 -24.694 14.944 3.303 1.00 8.83 H new ATOM 0 HA LYS A 158 -23.750 15.986 0.726 1.00 8.52 H new ATOM 0 HB2 LYS A 158 -22.135 16.926 2.490 1.00 8.88 H new ATOM 0 HB3 LYS A 158 -21.718 15.273 2.895 1.00 8.88 H new ATOM 0 HG2 LYS A 158 -21.328 15.029 0.257 1.00 9.31 H new ATOM 0 HG3 LYS A 158 -21.195 16.776 0.305 1.00 9.31 H new ATOM 0 HD2 LYS A 158 -19.556 14.861 2.048 1.00 9.87 H new ATOM 0 HD3 LYS A 158 -18.966 15.624 0.585 1.00 9.87 H new ATOM 0 HE2 LYS A 158 -19.886 17.053 3.130 1.00 10.59 H new ATOM 0 HE3 LYS A 158 -18.240 16.943 2.539 1.00 10.59 H new ATOM 0 HZ1 LYS A 158 -18.775 18.922 1.611 1.00 10.96 H new ATOM 0 HZ2 LYS A 158 -19.438 17.956 0.382 1.00 10.96 H new ATOM 0 HZ3 LYS A 158 -20.443 18.604 1.587 1.00 10.96 H new ATOM 1672 N ASP A 174 -23.447 13.570 0.098 1.00 7.70 N ATOM 1673 CA ASP A 174 -23.398 12.118 -0.255 1.00 7.46 C ATOM 1674 C ASP A 174 -21.943 11.717 -0.504 1.00 6.93 C ATOM 1675 O ASP A 174 -21.201 12.422 -1.160 1.00 7.21 O ATOM 1676 CB ASP A 174 -24.220 11.875 -1.522 1.00 7.83 C ATOM 1677 CG ASP A 174 -25.684 12.228 -1.256 1.00 8.11 C ATOM 1678 OD1 ASP A 174 -25.927 13.043 -0.383 1.00 8.38 O ATOM 1679 OD2 ASP A 174 -26.538 11.675 -1.930 1.00 8.32 O ATOM 0 H ASP A 174 -23.496 14.206 -0.698 1.00 7.70 H new ATOM 0 HA ASP A 174 -23.810 11.524 0.561 1.00 7.46 H new ATOM 0 HB2 ASP A 174 -23.832 12.480 -2.341 1.00 7.83 H new ATOM 0 HB3 ASP A 174 -24.136 10.832 -1.828 1.00 7.83 H new ATOM 1684 N ASP A 175 -21.523 10.595 0.016 1.00 6.43 N ATOM 1685 CA ASP A 175 -20.109 10.159 -0.188 1.00 6.11 C ATOM 1686 C ASP A 175 -19.989 9.411 -1.528 1.00 5.51 C ATOM 1687 O ASP A 175 -20.936 8.797 -1.979 1.00 5.46 O ATOM 1688 CB ASP A 175 -19.703 9.223 0.954 1.00 6.61 C ATOM 1689 CG ASP A 175 -20.828 8.219 1.213 1.00 7.27 C ATOM 1690 OD1 ASP A 175 -21.305 7.632 0.255 1.00 7.57 O ATOM 1691 OD2 ASP A 175 -21.194 8.054 2.365 1.00 7.70 O ATOM 0 H ASP A 175 -22.096 9.961 0.573 1.00 6.43 H new ATOM 0 HA ASP A 175 -19.455 11.031 -0.201 1.00 6.11 H new ATOM 0 HB2 ASP A 175 -18.783 8.697 0.698 1.00 6.61 H new ATOM 0 HB3 ASP A 175 -19.500 9.799 1.857 1.00 6.61 H new ATOM 1696 N PRO A 176 -18.836 9.450 -2.160 1.00 5.43 N ATOM 1697 CA PRO A 176 -18.613 8.751 -3.462 1.00 5.29 C ATOM 1698 C PRO A 176 -18.458 7.235 -3.275 1.00 4.96 C ATOM 1699 O PRO A 176 -17.575 6.774 -2.580 1.00 4.91 O ATOM 1700 CB PRO A 176 -17.309 9.372 -3.978 1.00 5.76 C ATOM 1701 CG PRO A 176 -16.559 9.741 -2.740 1.00 6.11 C ATOM 1702 CD PRO A 176 -17.618 10.160 -1.716 1.00 5.94 C ATOM 0 HA PRO A 176 -19.451 8.871 -4.148 1.00 5.29 H new ATOM 0 HB2 PRO A 176 -16.746 8.665 -4.588 1.00 5.76 H new ATOM 0 HB3 PRO A 176 -17.504 10.246 -4.600 1.00 5.76 H new ATOM 0 HG2 PRO A 176 -15.973 8.899 -2.373 1.00 6.11 H new ATOM 0 HG3 PRO A 176 -15.860 10.555 -2.935 1.00 6.11 H new ATOM 0 HD2 PRO A 176 -17.333 9.871 -0.704 1.00 5.94 H new ATOM 0 HD3 PRO A 176 -17.764 11.240 -1.710 1.00 5.94 H new ATOM 1710 N GLU A 177 -19.311 6.460 -3.887 1.00 5.10 N ATOM 1711 CA GLU A 177 -19.214 4.980 -3.739 1.00 5.19 C ATOM 1712 C GLU A 177 -18.137 4.428 -4.680 1.00 4.50 C ATOM 1713 O GLU A 177 -18.180 3.283 -5.079 1.00 4.75 O ATOM 1714 CB GLU A 177 -20.564 4.346 -4.077 1.00 6.10 C ATOM 1715 CG GLU A 177 -21.595 4.752 -3.021 1.00 6.79 C ATOM 1716 CD GLU A 177 -22.984 4.283 -3.453 1.00 7.52 C ATOM 1717 OE1 GLU A 177 -23.256 4.315 -4.642 1.00 7.81 O ATOM 1718 OE2 GLU A 177 -23.754 3.899 -2.589 1.00 8.01 O ATOM 0 H GLU A 177 -20.071 6.788 -4.483 1.00 5.10 H new ATOM 0 HA GLU A 177 -18.944 4.740 -2.711 1.00 5.19 H new ATOM 0 HB2 GLU A 177 -20.893 4.669 -5.065 1.00 6.10 H new ATOM 0 HB3 GLU A 177 -20.470 3.261 -4.111 1.00 6.10 H new ATOM 0 HG2 GLU A 177 -21.335 4.313 -2.057 1.00 6.79 H new ATOM 0 HG3 GLU A 177 -21.590 5.834 -2.890 1.00 6.79 H new ATOM 1725 N ARG A 178 -17.169 5.230 -5.032 1.00 3.95 N ATOM 1726 CA ARG A 178 -16.091 4.741 -5.940 1.00 3.61 C ATOM 1727 C ARG A 178 -15.101 3.899 -5.125 1.00 3.28 C ATOM 1728 O ARG A 178 -15.290 3.671 -3.947 1.00 3.07 O ATOM 1729 CB ARG A 178 -15.363 5.944 -6.566 1.00 3.75 C ATOM 1730 CG ARG A 178 -16.083 6.393 -7.848 1.00 4.06 C ATOM 1731 CD ARG A 178 -17.572 6.641 -7.566 1.00 4.58 C ATOM 1732 NE ARG A 178 -18.322 5.363 -7.713 1.00 5.19 N ATOM 1733 CZ ARG A 178 -19.543 5.266 -7.262 1.00 5.87 C ATOM 1734 NH1 ARG A 178 -20.108 6.288 -6.682 1.00 6.06 N ATOM 1735 NH2 ARG A 178 -20.199 4.144 -7.393 1.00 6.66 N ATOM 0 H ARG A 178 -17.078 6.200 -4.731 1.00 3.95 H new ATOM 0 HA ARG A 178 -16.521 4.133 -6.736 1.00 3.61 H new ATOM 0 HB2 ARG A 178 -15.327 6.768 -5.853 1.00 3.75 H new ATOM 0 HB3 ARG A 178 -14.332 5.675 -6.795 1.00 3.75 H new ATOM 0 HG2 ARG A 178 -15.622 7.303 -8.232 1.00 4.06 H new ATOM 0 HG3 ARG A 178 -15.974 5.631 -8.620 1.00 4.06 H new ATOM 0 HD2 ARG A 178 -17.702 7.038 -6.559 1.00 4.58 H new ATOM 0 HD3 ARG A 178 -17.965 7.388 -8.256 1.00 4.58 H new ATOM 0 HE ARG A 178 -17.881 4.563 -8.167 1.00 5.19 H new ATOM 0 HH11 ARG A 178 -19.596 7.164 -6.580 1.00 6.06 H new ATOM 0 HH12 ARG A 178 -21.062 6.211 -6.330 1.00 6.06 H new ATOM 0 HH21 ARG A 178 -19.757 3.345 -7.847 1.00 6.66 H new ATOM 0 HH22 ARG A 178 -21.153 4.067 -7.041 1.00 6.66 H new ATOM 1749 N GLU A 179 -14.050 3.436 -5.744 1.00 3.66 N ATOM 1750 CA GLU A 179 -13.056 2.612 -5.002 1.00 3.59 C ATOM 1751 C GLU A 179 -12.201 3.518 -4.118 1.00 2.48 C ATOM 1752 O GLU A 179 -10.992 3.561 -4.229 1.00 2.75 O ATOM 1753 CB GLU A 179 -12.163 1.869 -5.988 1.00 4.67 C ATOM 1754 CG GLU A 179 -11.783 2.797 -7.144 1.00 5.63 C ATOM 1755 CD GLU A 179 -10.656 2.163 -7.958 1.00 6.37 C ATOM 1756 OE1 GLU A 179 -10.884 1.108 -8.529 1.00 6.71 O ATOM 1757 OE2 GLU A 179 -9.582 2.742 -7.999 1.00 6.87 O ATOM 0 H GLU A 179 -13.837 3.592 -6.729 1.00 3.66 H new ATOM 0 HA GLU A 179 -13.582 1.888 -4.379 1.00 3.59 H new ATOM 0 HB2 GLU A 179 -11.264 1.515 -5.483 1.00 4.67 H new ATOM 0 HB3 GLU A 179 -12.681 0.990 -6.371 1.00 4.67 H new ATOM 0 HG2 GLU A 179 -12.650 2.976 -7.781 1.00 5.63 H new ATOM 0 HG3 GLU A 179 -11.466 3.766 -6.758 1.00 5.63 H new ATOM 1764 N VAL A 180 -12.831 4.234 -3.243 1.00 1.65 N ATOM 1765 CA VAL A 180 -12.090 5.151 -2.327 1.00 0.77 C ATOM 1766 C VAL A 180 -11.726 4.394 -1.051 1.00 0.63 C ATOM 1767 O VAL A 180 -12.490 4.336 -0.108 1.00 0.64 O ATOM 1768 CB VAL A 180 -12.978 6.355 -2.003 1.00 1.22 C ATOM 1769 CG1 VAL A 180 -12.375 7.166 -0.852 1.00 2.08 C ATOM 1770 CG2 VAL A 180 -13.065 7.233 -3.249 1.00 1.28 C ATOM 0 H VAL A 180 -13.843 4.228 -3.116 1.00 1.65 H new ATOM 0 HA VAL A 180 -11.174 5.504 -2.801 1.00 0.77 H new ATOM 0 HB VAL A 180 -13.968 6.011 -1.704 1.00 1.22 H new ATOM 0 HG11 VAL A 180 -13.017 8.019 -0.633 1.00 2.08 H new ATOM 0 HG12 VAL A 180 -12.294 6.536 0.034 1.00 2.08 H new ATOM 0 HG13 VAL A 180 -11.385 7.521 -1.137 1.00 2.08 H new ATOM 0 HG21 VAL A 180 -13.694 8.099 -3.041 1.00 1.28 H new ATOM 0 HG22 VAL A 180 -12.066 7.569 -3.528 1.00 1.28 H new ATOM 0 HG23 VAL A 180 -13.497 6.659 -4.069 1.00 1.28 H new ATOM 1780 N LEU A 181 -10.560 3.804 -1.030 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.111 3.023 0.172 1.00 0.52 C ATOM 1782 C LEU A 181 -8.862 3.667 0.780 1.00 0.47 C ATOM 1783 O LEU A 181 -8.111 4.329 0.098 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.767 1.593 -0.258 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.997 0.914 -0.898 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.540 -0.167 -1.888 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.867 0.263 0.192 1.00 0.87 C ATOM 0 H LEU A 181 -9.890 3.827 -1.799 1.00 0.58 H new ATOM 0 HA LEU A 181 -10.912 3.015 0.911 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.941 1.609 -0.969 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.433 1.017 0.605 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.579 1.670 -1.424 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.413 -0.642 -2.336 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.933 0.289 -2.670 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.949 -0.916 -1.361 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.732 -0.213 -0.269 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.282 -0.486 0.725 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.204 1.027 0.893 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.633 3.468 2.061 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.420 4.052 2.726 1.00 0.45 C ATOM 1801 C GLU A 182 -6.493 2.947 3.233 1.00 0.42 C ATOM 1802 O GLU A 182 -6.925 1.901 3.675 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.851 4.924 3.908 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.855 4.156 4.771 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.001 4.851 6.125 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.589 5.921 6.160 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -8.521 4.306 7.105 1.00 1.49 O ATOM 0 H GLU A 182 -9.238 2.924 2.676 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.884 4.654 1.992 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.982 5.203 4.504 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.299 5.849 3.546 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.821 4.109 4.269 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.519 3.129 4.912 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.210 3.197 3.175 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.213 2.198 3.653 1.00 0.38 C ATOM 1816 C TRP A 183 -4.234 2.183 5.185 1.00 0.37 C ATOM 1817 O TRP A 183 -3.788 3.115 5.825 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.812 2.616 3.171 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.552 2.110 1.786 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.379 0.810 1.447 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.412 2.874 0.555 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.142 0.732 0.085 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.154 1.979 -0.508 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.485 4.245 0.264 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.971 2.430 -1.816 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.303 4.705 -1.051 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.046 3.800 -2.088 1.00 0.41 C ATOM 0 H TRP A 183 -4.808 4.062 2.812 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.454 1.209 3.265 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.726 3.702 3.188 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.057 2.226 3.853 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.419 -0.028 2.127 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.979 -0.140 -0.419 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.683 4.952 1.057 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.773 1.727 -2.612 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.362 5.762 -1.263 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.906 4.159 -3.097 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.743 1.139 5.778 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.785 1.072 7.270 1.00 0.35 C ATOM 1840 C ARG A 184 -3.533 0.340 7.765 1.00 0.31 C ATOM 1841 O ARG A 184 -3.464 -0.873 7.756 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.062 0.315 7.699 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.619 0.875 9.022 1.00 0.98 C ATOM 1844 CD ARG A 184 -5.677 0.548 10.204 1.00 1.51 C ATOM 1845 NE ARG A 184 -4.997 1.794 10.655 1.00 1.57 N ATOM 1846 CZ ARG A 184 -4.422 1.832 11.826 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -4.440 0.779 12.597 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -3.829 2.924 12.226 1.00 2.61 N ATOM 0 H ARG A 184 -5.132 0.328 5.296 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.805 2.073 7.702 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.818 0.398 6.918 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.839 -0.746 7.815 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -6.744 1.955 8.940 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -7.606 0.454 9.212 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -6.245 0.113 11.026 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -4.938 -0.193 9.900 1.00 1.51 H new ATOM 0 HE ARG A 184 -4.981 2.615 10.050 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -4.904 -0.074 12.284 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -3.990 0.809 13.512 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -3.815 3.747 11.623 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -3.379 2.954 13.141 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.542 1.073 8.189 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.289 0.426 8.675 1.00 0.31 C ATOM 1864 C PHE A 185 -1.578 -0.357 9.961 1.00 0.31 C ATOM 1865 O PHE A 185 -2.237 0.124 10.861 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.242 1.517 8.946 1.00 0.40 C ATOM 1867 CG PHE A 185 0.904 0.968 9.770 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.759 0.830 11.155 1.00 0.65 C ATOM 1869 CD2 PHE A 185 2.108 0.606 9.153 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.816 0.331 11.924 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.167 0.108 9.923 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.020 -0.030 11.309 1.00 0.71 C ATOM 0 H PHE A 185 -2.544 2.093 8.221 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.910 -0.265 7.922 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.137 1.907 8.001 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.707 2.351 9.471 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.170 1.109 11.631 1.00 0.65 H new ATOM 0 HD2 PHE A 185 2.220 0.711 8.084 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.703 0.224 12.993 1.00 0.75 H new ATOM 0 HE2 PHE A 185 4.096 -0.169 9.448 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.836 -0.415 11.903 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.092 -1.568 10.046 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.335 -2.392 11.258 1.00 0.32 C ATOM 1884 C ASP A 186 -0.217 -3.432 11.397 1.00 0.30 C ATOM 1885 O ASP A 186 -0.436 -4.611 11.204 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.677 -3.097 11.088 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.193 -3.572 12.449 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.162 -2.784 13.380 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -3.607 -4.716 12.537 1.00 1.16 O ATOM 0 H ASP A 186 -0.535 -2.021 9.322 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.349 -1.767 12.151 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.399 -2.419 10.632 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.568 -3.947 10.414 1.00 0.37 H new ATOM 1894 N SER A 187 0.977 -2.998 11.725 1.00 0.33 N ATOM 1895 CA SER A 187 2.126 -3.949 11.874 1.00 0.34 C ATOM 1896 C SER A 187 1.671 -5.219 12.603 1.00 0.35 C ATOM 1897 O SER A 187 2.309 -6.249 12.522 1.00 0.37 O ATOM 1898 CB SER A 187 3.240 -3.280 12.684 1.00 0.40 C ATOM 1899 OG SER A 187 3.991 -4.278 13.364 1.00 1.32 O ATOM 0 H SER A 187 1.207 -2.019 11.897 1.00 0.33 H new ATOM 0 HA SER A 187 2.494 -4.215 10.883 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.890 -2.706 12.024 1.00 0.40 H new ATOM 0 HB3 SER A 187 2.813 -2.578 13.401 1.00 0.40 H new ATOM 0 HG SER A 187 4.931 -4.222 13.093 1.00 1.32 H new ATOM 1905 N ARG A 188 0.571 -5.165 13.305 1.00 0.40 N ATOM 1906 CA ARG A 188 0.094 -6.384 14.016 1.00 0.46 C ATOM 1907 C ARG A 188 -0.240 -7.448 12.973 1.00 0.42 C ATOM 1908 O ARG A 188 -0.056 -8.629 13.189 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.161 -6.056 14.831 1.00 0.58 C ATOM 1910 CG ARG A 188 -0.888 -4.863 15.755 1.00 1.40 C ATOM 1911 CD ARG A 188 -1.953 -4.804 16.860 1.00 1.75 C ATOM 1912 NE ARG A 188 -2.071 -3.406 17.360 1.00 2.37 N ATOM 1913 CZ ARG A 188 -3.101 -3.058 18.080 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -4.020 -3.938 18.372 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -3.213 -1.831 18.510 1.00 3.87 N ATOM 0 H ARG A 188 -0.013 -4.336 13.416 1.00 0.40 H new ATOM 0 HA ARG A 188 0.868 -6.746 14.693 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.990 -5.826 14.161 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.459 -6.923 15.421 1.00 0.58 H new ATOM 0 HG2 ARG A 188 0.104 -4.954 16.198 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.896 -3.937 15.180 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -2.913 -5.146 16.473 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -1.682 -5.472 17.677 1.00 1.75 H new ATOM 0 HE ARG A 188 -1.347 -2.722 17.140 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -3.932 -4.897 18.037 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -4.826 -3.666 18.935 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -2.495 -1.143 18.283 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -4.019 -1.560 19.073 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.711 -7.029 11.830 1.00 0.43 N ATOM 1930 CA LEU A 189 -1.036 -8.000 10.753 1.00 0.46 C ATOM 1931 C LEU A 189 0.261 -8.736 10.376 1.00 0.41 C ATOM 1932 O LEU A 189 0.275 -9.647 9.574 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.639 -7.216 9.564 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.588 -8.004 8.240 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.374 -9.305 8.364 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -2.208 -7.149 7.113 1.00 1.78 C ATOM 0 H LEU A 189 -0.885 -6.051 11.597 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.768 -8.743 11.068 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -2.675 -6.962 9.790 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -1.099 -6.277 9.443 1.00 0.57 H new ATOM 0 HG LEU A 189 -0.548 -8.236 8.010 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -2.328 -9.849 7.421 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -1.943 -9.916 9.157 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -3.414 -9.081 8.603 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -2.174 -7.703 6.175 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -3.244 -6.918 7.360 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -1.644 -6.222 7.008 1.00 1.78 H new ATOM 1948 N ALA A 190 1.356 -8.363 10.989 1.00 0.37 N ATOM 1949 CA ALA A 190 2.645 -9.052 10.696 1.00 0.42 C ATOM 1950 C ALA A 190 2.599 -10.447 11.317 1.00 0.44 C ATOM 1951 O ALA A 190 3.544 -11.208 11.238 1.00 0.53 O ATOM 1952 CB ALA A 190 3.800 -8.264 11.318 1.00 0.47 C ATOM 0 H ALA A 190 1.411 -7.613 11.678 1.00 0.37 H new ATOM 0 HA ALA A 190 2.795 -9.120 9.618 1.00 0.42 H new ATOM 0 HB1 ALA A 190 4.742 -8.769 11.103 1.00 0.47 H new ATOM 0 HB2 ALA A 190 3.823 -7.259 10.897 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.659 -8.203 12.397 1.00 0.47 H new ATOM 1958 N PHE A 191 1.496 -10.784 11.940 1.00 0.42 N ATOM 1959 CA PHE A 191 1.353 -12.129 12.583 1.00 0.51 C ATOM 1960 C PHE A 191 0.018 -12.750 12.165 1.00 0.56 C ATOM 1961 O PHE A 191 -0.058 -13.915 11.830 1.00 0.96 O ATOM 1962 CB PHE A 191 1.378 -11.969 14.104 1.00 0.58 C ATOM 1963 CG PHE A 191 2.641 -11.250 14.516 1.00 1.14 C ATOM 1964 CD1 PHE A 191 3.834 -11.964 14.669 1.00 1.81 C ATOM 1965 CD2 PHE A 191 2.617 -9.869 14.744 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.005 -11.298 15.051 1.00 2.75 C ATOM 1967 CE2 PHE A 191 3.787 -9.202 15.126 1.00 2.87 C ATOM 1968 CZ PHE A 191 4.981 -9.916 15.279 1.00 3.15 C ATOM 0 H PHE A 191 0.680 -10.179 12.032 1.00 0.42 H new ATOM 0 HA PHE A 191 2.174 -12.773 12.268 1.00 0.51 H new ATOM 0 HB2 PHE A 191 0.504 -11.409 14.435 1.00 0.58 H new ATOM 0 HB3 PHE A 191 1.331 -12.947 14.584 1.00 0.58 H new ATOM 0 HD1 PHE A 191 3.852 -13.029 14.492 1.00 1.81 H new ATOM 0 HD2 PHE A 191 1.696 -9.318 14.625 1.00 1.98 H new ATOM 0 HE1 PHE A 191 5.926 -11.849 15.170 1.00 2.75 H new ATOM 0 HE2 PHE A 191 3.768 -8.137 15.303 1.00 2.87 H new ATOM 0 HZ PHE A 191 5.884 -9.401 15.573 1.00 3.15 H new ATOM 1978 N HIS A 192 -1.037 -11.981 12.182 1.00 0.64 N ATOM 1979 CA HIS A 192 -2.366 -12.528 11.785 1.00 0.72 C ATOM 1980 C HIS A 192 -2.406 -12.712 10.267 1.00 0.67 C ATOM 1981 O HIS A 192 -1.579 -12.189 9.547 1.00 1.26 O ATOM 1982 CB HIS A 192 -3.467 -11.554 12.209 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.600 -11.566 13.707 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.676 -10.984 14.360 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -2.800 -12.087 14.695 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -4.496 -11.167 15.680 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -3.367 -11.833 15.940 1.00 3.35 N ATOM 0 H HIS A 192 -1.036 -10.998 12.454 1.00 0.64 H new ATOM 0 HA HIS A 192 -2.524 -13.489 12.274 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -3.230 -10.548 11.863 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -4.413 -11.835 11.747 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -1.872 -12.614 14.530 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -5.181 -10.818 16.438 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -3.000 -12.098 16.854 1.00 3.35 H new ATOM 1995 N HIS A 193 -3.363 -13.451 9.774 1.00 0.77 N ATOM 1996 CA HIS A 193 -3.457 -13.669 8.301 1.00 0.85 C ATOM 1997 C HIS A 193 -4.899 -14.025 7.931 1.00 0.74 C ATOM 1998 O HIS A 193 -5.252 -15.182 7.814 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.529 -14.814 7.894 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.379 -14.834 6.397 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -1.383 -15.561 5.764 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -3.089 -14.221 5.395 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -1.521 -15.368 4.439 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -2.546 -14.560 4.159 1.00 3.87 N ATOM 0 H HIS A 193 -4.084 -13.913 10.328 1.00 0.77 H new ATOM 0 HA HIS A 193 -3.161 -12.759 7.779 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -1.554 -14.691 8.366 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -2.933 -15.765 8.242 1.00 1.28 H new ATOM 0 HD1 HIS A 193 -0.675 -16.137 6.219 1.00 2.84 H new ATOM 0 HD2 HIS A 193 -3.940 -13.573 5.543 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -0.880 -15.813 3.693 1.00 3.75 H new ATOM 2012 N MET A 194 -5.734 -13.041 7.746 1.00 0.73 N ATOM 2013 CA MET A 194 -7.152 -13.322 7.384 1.00 0.79 C ATOM 2014 C MET A 194 -7.248 -13.630 5.889 1.00 0.75 C ATOM 2015 O MET A 194 -7.998 -14.487 5.469 1.00 0.90 O ATOM 2016 CB MET A 194 -8.011 -12.100 7.706 1.00 0.91 C ATOM 2017 CG MET A 194 -7.968 -11.825 9.211 1.00 1.47 C ATOM 2018 SD MET A 194 -8.986 -13.045 10.078 1.00 2.35 S ATOM 2019 CE MET A 194 -9.321 -12.053 11.555 1.00 2.94 C ATOM 0 H MET A 194 -5.496 -12.053 7.830 1.00 0.73 H new ATOM 0 HA MET A 194 -7.508 -14.180 7.955 1.00 0.79 H new ATOM 0 HB2 MET A 194 -7.647 -11.232 7.157 1.00 0.91 H new ATOM 0 HB3 MET A 194 -9.039 -12.271 7.386 1.00 0.91 H new ATOM 0 HG2 MET A 194 -6.940 -11.872 9.571 1.00 1.47 H new ATOM 0 HG3 MET A 194 -8.332 -10.819 9.418 1.00 1.47 H new ATOM 0 HE1 MET A 194 -9.947 -12.623 12.242 1.00 2.94 H new ATOM 0 HE2 MET A 194 -8.381 -11.801 12.045 1.00 2.94 H new ATOM 0 HE3 MET A 194 -9.838 -11.137 11.269 1.00 2.94 H new ATOM 2029 N ALA A 195 -6.495 -12.935 5.081 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.547 -13.180 3.610 1.00 0.76 C ATOM 2031 C ALA A 195 -6.476 -14.685 3.331 1.00 0.90 C ATOM 2032 O ALA A 195 -6.870 -15.152 2.280 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.363 -12.473 2.938 1.00 0.82 C ATOM 0 H ALA A 195 -5.845 -12.207 5.376 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.482 -12.789 3.209 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.397 -12.649 1.863 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.421 -11.402 3.132 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.429 -12.865 3.341 1.00 0.82 H new ATOM 2039 N ARG A 196 -5.974 -15.446 4.263 1.00 0.89 N ATOM 2040 CA ARG A 196 -5.874 -16.917 4.053 1.00 1.09 C ATOM 2041 C ARG A 196 -7.261 -17.559 4.158 1.00 1.21 C ATOM 2042 O ARG A 196 -7.635 -18.385 3.352 1.00 1.44 O ATOM 2043 CB ARG A 196 -4.955 -17.519 5.120 1.00 1.11 C ATOM 2044 CG ARG A 196 -4.805 -19.022 4.879 1.00 1.34 C ATOM 2045 CD ARG A 196 -3.792 -19.598 5.869 1.00 1.43 C ATOM 2046 NE ARG A 196 -4.287 -19.395 7.259 1.00 1.90 N ATOM 2047 CZ ARG A 196 -3.754 -20.061 8.246 1.00 2.46 C ATOM 2048 NH1 ARG A 196 -2.788 -20.908 8.016 1.00 2.75 N ATOM 2049 NH2 ARG A 196 -4.186 -19.881 9.464 1.00 3.31 N ATOM 0 H ARG A 196 -5.628 -15.112 5.163 1.00 0.89 H new ATOM 0 HA ARG A 196 -5.466 -17.109 3.061 1.00 1.09 H new ATOM 0 HB2 ARG A 196 -3.978 -17.036 5.088 1.00 1.11 H new ATOM 0 HB3 ARG A 196 -5.367 -17.339 6.113 1.00 1.11 H new ATOM 0 HG2 ARG A 196 -5.768 -19.518 4.998 1.00 1.34 H new ATOM 0 HG3 ARG A 196 -4.475 -19.206 3.856 1.00 1.34 H new ATOM 0 HD2 ARG A 196 -3.642 -20.660 5.676 1.00 1.43 H new ATOM 0 HD3 ARG A 196 -2.825 -19.112 5.741 1.00 1.43 H new ATOM 0 HE ARG A 196 -5.043 -18.735 7.439 1.00 1.90 H new ATOM 0 HH11 ARG A 196 -2.450 -21.049 7.064 1.00 2.75 H new ATOM 0 HH12 ARG A 196 -2.372 -21.429 8.788 1.00 2.75 H new ATOM 0 HH21 ARG A 196 -4.941 -19.219 9.645 1.00 3.31 H new ATOM 0 HH22 ARG A 196 -3.769 -20.402 10.235 1.00 3.31 H new ATOM 2063 N GLU A 197 -8.021 -17.198 5.154 1.00 1.18 N ATOM 2064 CA GLU A 197 -9.373 -17.808 5.313 1.00 1.45 C ATOM 2065 C GLU A 197 -10.301 -17.340 4.186 1.00 1.53 C ATOM 2066 O GLU A 197 -11.328 -17.938 3.932 1.00 1.76 O ATOM 2067 CB GLU A 197 -9.957 -17.393 6.670 1.00 1.53 C ATOM 2068 CG GLU A 197 -11.062 -18.371 7.078 1.00 1.99 C ATOM 2069 CD GLU A 197 -10.432 -19.687 7.537 1.00 2.56 C ATOM 2070 OE1 GLU A 197 -9.215 -19.772 7.533 1.00 3.13 O ATOM 2071 OE2 GLU A 197 -11.177 -20.589 7.883 1.00 3.04 O ATOM 0 H GLU A 197 -7.767 -16.510 5.863 1.00 1.18 H new ATOM 0 HA GLU A 197 -9.285 -18.893 5.266 1.00 1.45 H new ATOM 0 HB2 GLU A 197 -9.172 -17.381 7.426 1.00 1.53 H new ATOM 0 HB3 GLU A 197 -10.358 -16.381 6.610 1.00 1.53 H new ATOM 0 HG2 GLU A 197 -11.663 -17.943 7.881 1.00 1.99 H new ATOM 0 HG3 GLU A 197 -11.733 -18.550 6.238 1.00 1.99 H new ATOM 2078 N LEU A 198 -9.956 -16.279 3.508 1.00 1.41 N ATOM 2079 CA LEU A 198 -10.832 -15.787 2.405 1.00 1.56 C ATOM 2080 C LEU A 198 -10.648 -16.675 1.166 1.00 1.70 C ATOM 2081 O LEU A 198 -11.601 -17.206 0.632 1.00 1.95 O ATOM 2082 CB LEU A 198 -10.467 -14.325 2.070 1.00 1.47 C ATOM 2083 CG LEU A 198 -11.295 -13.342 2.924 1.00 1.53 C ATOM 2084 CD1 LEU A 198 -12.790 -13.405 2.543 1.00 1.82 C ATOM 2085 CD2 LEU A 198 -11.120 -13.680 4.410 1.00 1.83 C ATOM 0 H LEU A 198 -9.109 -15.733 3.669 1.00 1.41 H new ATOM 0 HA LEU A 198 -11.875 -15.830 2.720 1.00 1.56 H new ATOM 0 HB2 LEU A 198 -9.404 -14.161 2.248 1.00 1.47 H new ATOM 0 HB3 LEU A 198 -10.646 -14.134 1.012 1.00 1.47 H new ATOM 0 HG LEU A 198 -10.937 -12.330 2.734 1.00 1.53 H new ATOM 0 HD11 LEU A 198 -13.352 -12.703 3.159 1.00 1.82 H new ATOM 0 HD12 LEU A 198 -12.909 -13.142 1.492 1.00 1.82 H new ATOM 0 HD13 LEU A 198 -13.165 -14.415 2.709 1.00 1.82 H new ATOM 0 HD21 LEU A 198 -11.705 -12.985 5.013 1.00 1.83 H new ATOM 0 HD22 LEU A 198 -11.463 -14.698 4.594 1.00 1.83 H new ATOM 0 HD23 LEU A 198 -10.067 -13.597 4.680 1.00 1.83 H new ATOM 2097 N HIS A 199 -9.438 -16.833 0.693 1.00 1.61 N ATOM 2098 CA HIS A 199 -9.214 -17.679 -0.521 1.00 1.79 C ATOM 2099 C HIS A 199 -7.856 -18.382 -0.436 1.00 1.68 C ATOM 2100 O HIS A 199 -6.905 -17.985 -1.081 1.00 1.85 O ATOM 2101 CB HIS A 199 -9.241 -16.789 -1.765 1.00 2.06 C ATOM 2102 CG HIS A 199 -10.602 -16.161 -1.903 1.00 2.04 C ATOM 2103 ND1 HIS A 199 -11.745 -16.913 -2.127 1.00 2.62 N ATOM 2104 CD2 HIS A 199 -11.018 -14.854 -1.850 1.00 2.05 C ATOM 2105 CE1 HIS A 199 -12.783 -16.061 -2.199 1.00 2.96 C ATOM 2106 NE2 HIS A 199 -12.395 -14.793 -2.037 1.00 2.51 N ATOM 0 H HIS A 199 -8.598 -16.415 1.092 1.00 1.61 H new ATOM 0 HA HIS A 199 -10.001 -18.431 -0.580 1.00 1.79 H new ATOM 0 HB2 HIS A 199 -8.478 -16.015 -1.688 1.00 2.06 H new ATOM 0 HB3 HIS A 199 -9.009 -17.378 -2.652 1.00 2.06 H new ATOM 0 HD2 HIS A 199 -10.374 -14.002 -1.688 1.00 2.05 H new ATOM 0 HE1 HIS A 199 -13.806 -16.365 -2.367 1.00 2.96 H new ATOM 0 HE2 HIS A 199 -12.982 -13.959 -2.048 1.00 2.51 H new ATOM 2114 N PRO A 200 -7.766 -19.426 0.347 1.00 1.59 N ATOM 2115 CA PRO A 200 -6.509 -20.205 0.512 1.00 1.65 C ATOM 2116 C PRO A 200 -6.339 -21.260 -0.589 1.00 1.89 C ATOM 2117 O PRO A 200 -5.273 -21.816 -0.768 1.00 2.44 O ATOM 2118 CB PRO A 200 -6.691 -20.867 1.880 1.00 1.85 C ATOM 2119 CG PRO A 200 -8.171 -21.079 2.010 1.00 1.95 C ATOM 2120 CD PRO A 200 -8.856 -19.980 1.170 1.00 1.72 C ATOM 0 HA PRO A 200 -5.618 -19.581 0.444 1.00 1.65 H new ATOM 0 HB2 PRO A 200 -6.150 -21.811 1.938 1.00 1.85 H new ATOM 0 HB3 PRO A 200 -6.311 -20.232 2.680 1.00 1.85 H new ATOM 0 HG2 PRO A 200 -8.452 -22.070 1.653 1.00 1.95 H new ATOM 0 HG3 PRO A 200 -8.480 -21.017 3.053 1.00 1.95 H new ATOM 0 HD2 PRO A 200 -9.654 -20.390 0.551 1.00 1.72 H new ATOM 0 HD3 PRO A 200 -9.305 -19.215 1.804 1.00 1.72 H new ATOM 2128 N GLU A 201 -7.384 -21.545 -1.321 1.00 1.95 N ATOM 2129 CA GLU A 201 -7.288 -22.568 -2.404 1.00 2.41 C ATOM 2130 C GLU A 201 -6.014 -22.344 -3.223 1.00 2.20 C ATOM 2131 O GLU A 201 -5.425 -23.273 -3.738 1.00 2.62 O ATOM 2132 CB GLU A 201 -8.512 -22.457 -3.320 1.00 2.93 C ATOM 2133 CG GLU A 201 -8.638 -23.729 -4.162 1.00 3.65 C ATOM 2134 CD GLU A 201 -9.153 -24.873 -3.286 1.00 4.31 C ATOM 2135 OE1 GLU A 201 -10.258 -24.757 -2.782 1.00 4.86 O ATOM 2136 OE2 GLU A 201 -8.434 -25.847 -3.134 1.00 4.64 O ATOM 0 H GLU A 201 -8.302 -21.112 -1.215 1.00 1.95 H new ATOM 0 HA GLU A 201 -7.254 -23.561 -1.957 1.00 2.41 H new ATOM 0 HB2 GLU A 201 -9.413 -22.312 -2.724 1.00 2.93 H new ATOM 0 HB3 GLU A 201 -8.416 -21.587 -3.969 1.00 2.93 H new ATOM 0 HG2 GLU A 201 -9.320 -23.560 -4.995 1.00 3.65 H new ATOM 0 HG3 GLU A 201 -7.671 -23.992 -4.590 1.00 3.65 H new ATOM 2143 N TYR A 202 -5.578 -21.119 -3.340 1.00 1.91 N ATOM 2144 CA TYR A 202 -4.338 -20.843 -4.119 1.00 2.02 C ATOM 2145 C TYR A 202 -3.125 -21.192 -3.254 1.00 2.17 C ATOM 2146 O TYR A 202 -2.480 -22.203 -3.448 1.00 2.63 O ATOM 2147 CB TYR A 202 -4.292 -19.357 -4.503 1.00 2.25 C ATOM 2148 CG TYR A 202 -5.180 -19.110 -5.703 1.00 2.62 C ATOM 2149 CD1 TYR A 202 -6.568 -19.243 -5.582 1.00 2.97 C ATOM 2150 CD2 TYR A 202 -4.617 -18.748 -6.935 1.00 3.00 C ATOM 2151 CE1 TYR A 202 -7.394 -19.015 -6.690 1.00 3.63 C ATOM 2152 CE2 TYR A 202 -5.443 -18.521 -8.043 1.00 3.60 C ATOM 2153 CZ TYR A 202 -6.831 -18.654 -7.921 1.00 3.90 C ATOM 2154 OH TYR A 202 -7.644 -18.431 -9.012 1.00 4.66 O ATOM 0 H TYR A 202 -6.026 -20.299 -2.931 1.00 1.91 H new ATOM 0 HA TYR A 202 -4.328 -21.444 -5.028 1.00 2.02 H new ATOM 0 HB2 TYR A 202 -4.621 -18.745 -3.663 1.00 2.25 H new ATOM 0 HB3 TYR A 202 -3.268 -19.062 -4.730 1.00 2.25 H new ATOM 0 HD1 TYR A 202 -7.003 -19.522 -4.633 1.00 2.97 H new ATOM 0 HD2 TYR A 202 -3.546 -18.644 -7.030 1.00 3.00 H new ATOM 0 HE1 TYR A 202 -8.465 -19.118 -6.595 1.00 3.63 H new ATOM 0 HE2 TYR A 202 -5.009 -18.243 -8.992 1.00 3.60 H new ATOM 0 HH TYR A 202 -7.094 -18.188 -9.786 1.00 4.66 H new ATOM 2164 N PHE A 203 -2.813 -20.362 -2.296 1.00 2.24 N ATOM 2165 CA PHE A 203 -1.645 -20.635 -1.405 1.00 2.91 C ATOM 2166 C PHE A 203 -2.138 -21.448 -0.200 1.00 3.51 C ATOM 2167 O PHE A 203 -2.601 -20.901 0.782 1.00 4.00 O ATOM 2168 CB PHE A 203 -1.015 -19.293 -0.938 1.00 3.09 C ATOM 2169 CG PHE A 203 -1.823 -18.124 -1.461 1.00 2.66 C ATOM 2170 CD1 PHE A 203 -2.990 -17.728 -0.798 1.00 2.55 C ATOM 2171 CD2 PHE A 203 -1.407 -17.443 -2.611 1.00 2.71 C ATOM 2172 CE1 PHE A 203 -3.740 -16.651 -1.283 1.00 2.24 C ATOM 2173 CE2 PHE A 203 -2.157 -16.365 -3.096 1.00 2.44 C ATOM 2174 CZ PHE A 203 -3.324 -15.970 -2.433 1.00 2.05 C ATOM 0 H PHE A 203 -3.319 -19.501 -2.090 1.00 2.24 H new ATOM 0 HA PHE A 203 -0.882 -21.200 -1.940 1.00 2.91 H new ATOM 0 HB2 PHE A 203 -0.978 -19.260 0.151 1.00 3.09 H new ATOM 0 HB3 PHE A 203 0.013 -19.222 -1.294 1.00 3.09 H new ATOM 0 HD1 PHE A 203 -3.312 -18.254 0.089 1.00 2.55 H new ATOM 0 HD2 PHE A 203 -0.507 -17.749 -3.124 1.00 2.71 H new ATOM 0 HE1 PHE A 203 -4.640 -16.345 -0.770 1.00 2.24 H new ATOM 0 HE2 PHE A 203 -1.835 -15.838 -3.982 1.00 2.44 H new ATOM 0 HZ PHE A 203 -3.904 -15.140 -2.808 1.00 2.05 H new ATOM 2184 N LYS A 204 -2.046 -22.754 -0.278 1.00 3.84 N ATOM 2185 CA LYS A 204 -2.512 -23.630 0.844 1.00 4.59 C ATOM 2186 C LYS A 204 -1.312 -24.349 1.471 1.00 5.09 C ATOM 2187 O LYS A 204 -1.364 -24.785 2.605 1.00 5.47 O ATOM 2188 CB LYS A 204 -3.496 -24.665 0.284 1.00 5.01 C ATOM 2189 CG LYS A 204 -3.015 -25.129 -1.092 1.00 5.49 C ATOM 2190 CD LYS A 204 -3.822 -26.353 -1.531 1.00 6.17 C ATOM 2191 CE LYS A 204 -3.532 -26.659 -3.001 1.00 6.89 C ATOM 2192 NZ LYS A 204 -2.096 -27.027 -3.161 1.00 7.32 N ATOM 0 H LYS A 204 -1.664 -23.256 -1.080 1.00 3.84 H new ATOM 0 HA LYS A 204 -3.002 -23.025 1.607 1.00 4.59 H new ATOM 0 HB2 LYS A 204 -3.571 -25.516 0.961 1.00 5.01 H new ATOM 0 HB3 LYS A 204 -4.493 -24.231 0.206 1.00 5.01 H new ATOM 0 HG2 LYS A 204 -3.130 -24.325 -1.819 1.00 5.49 H new ATOM 0 HG3 LYS A 204 -1.954 -25.375 -1.054 1.00 5.49 H new ATOM 0 HD2 LYS A 204 -3.563 -27.212 -0.912 1.00 6.17 H new ATOM 0 HD3 LYS A 204 -4.887 -26.168 -1.391 1.00 6.17 H new ATOM 0 HE2 LYS A 204 -4.168 -27.475 -3.345 1.00 6.89 H new ATOM 0 HE3 LYS A 204 -3.766 -25.791 -3.617 1.00 6.89 H new ATOM 0 HZ1 LYS A 204 -1.941 -27.412 -4.114 1.00 7.32 H new ATOM 0 HZ2 LYS A 204 -1.504 -26.182 -3.028 1.00 7.32 H new ATOM 0 HZ3 LYS A 204 -1.840 -27.744 -2.452 1.00 7.32 H new ATOM 2206 N ASN A 205 -0.235 -24.481 0.747 1.00 5.49 N ATOM 2207 CA ASN A 205 0.957 -25.176 1.311 1.00 6.31 C ATOM 2208 C ASN A 205 1.694 -24.234 2.266 1.00 6.66 C ATOM 2209 O ASN A 205 2.116 -23.159 1.890 1.00 6.90 O ATOM 2210 CB ASN A 205 1.894 -25.589 0.173 1.00 6.97 C ATOM 2211 CG ASN A 205 1.322 -26.816 -0.542 1.00 7.47 C ATOM 2212 OD1 ASN A 205 1.073 -27.832 0.077 1.00 7.58 O ATOM 2213 ND2 ASN A 205 1.099 -26.765 -1.827 1.00 8.08 N ATOM 0 H ASN A 205 -0.128 -24.139 -0.208 1.00 5.49 H new ATOM 0 HA ASN A 205 0.636 -26.064 1.855 1.00 6.31 H new ATOM 0 HB2 ASN A 205 2.011 -24.766 -0.532 1.00 6.97 H new ATOM 0 HB3 ASN A 205 2.885 -25.814 0.568 1.00 6.97 H new ATOM 0 HD21 ASN A 205 0.716 -27.577 -2.311 1.00 8.08 H new ATOM 0 HD22 ASN A 205 1.308 -25.913 -2.347 1.00 8.08 H new ATOM 2220 N ALA A 206 1.855 -24.633 3.499 1.00 7.01 N ATOM 2221 CA ALA A 206 2.566 -23.763 4.480 1.00 7.67 C ATOM 2222 C ALA A 206 4.077 -23.946 4.323 1.00 7.99 C ATOM 2223 O ALA A 206 4.556 -25.028 4.618 1.00 8.32 O ATOM 2224 CB ALA A 206 2.151 -24.153 5.900 1.00 8.33 C ATOM 2225 OXT ALA A 206 4.729 -23.000 3.913 1.00 8.16 O ATOM 0 H ALA A 206 1.525 -25.524 3.870 1.00 7.01 H new ATOM 0 HA ALA A 206 2.305 -22.721 4.297 1.00 7.67 H new ATOM 0 HB1 ALA A 206 2.670 -23.518 6.618 1.00 8.33 H new ATOM 0 HB2 ALA A 206 1.075 -24.024 6.013 1.00 8.33 H new ATOM 0 HB3 ALA A 206 2.412 -25.195 6.082 1.00 8.33 H new TER 2231 ALA A 206