USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1001 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 124 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 132 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 115 TYR OH : rot -62:sc= 0.66 USER MOD Set 2.2: A 121 TYR OH : rot 130:sc= -0.79 USER MOD Set 3.1: A 74 HIS : no HD1:sc= -0.933 K(o=-0.65,f=-2.8) USER MOD Set 3.2: A 104 HIS : no HD1:sc= 0.283 K(o=-0.65,f=-4.6) USER MOD Set 4.1: A 64 TYR OH : rot 34:sc= 0.884 USER MOD Set 4.2: A 81 ASN : amide:sc= -0.602 X(o=0.46,f=0.25) USER MOD Set 4.3: A 84 HIS : no HD1:sc= 0.174 K(o=0.46,f=-4.5!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.9! C(o=-1.9!,f=-7.9!) USER MOD Single : A 22 TYR OH : rot 92:sc= 0.0172 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.616 F(o=-1.2,f=-0.62) USER MOD Single : A 28 ASN : amide:sc= -0.48 X(o=-0.48,f=0) USER MOD Single : A 30 TYR OH : rot 30:sc= 0.837 USER MOD Single : A 32 MET CE :methyl -110:sc= -0.745 (180deg=-0.846) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.281 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 75:sc= 0.955 USER MOD Single : A 50 SER OG : rot -141:sc= 0.146 USER MOD Single : A 61 SER OG : rot -84:sc= 0.918 USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0614) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.312 F(o=-0.84,f=-0.31) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0605 F(o=-2!,f=-0.06) USER MOD Single : A 72 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.1) USER MOD Single : A 75 ASN : amide:sc= -0.0314 K(o=-0.031,f=-0.58) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -0.378 K(o=-0.38,f=-1.2) USER MOD Single : A 102 THR OG1 : rot 75:sc= 0.396 USER MOD Single : A 103 TYR OH : rot -57:sc= 1.22 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS :FLIP no HD1:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.506 K(o=0.51,f=-3.6!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 40:sc= 0.739 USER MOD Single : A 122 THR OG1 : rot 78:sc= 0.135 USER MOD Single : A 128 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 10.287 -7.344 -6.985 1.00 40.42 N ATOM 21 CA PRO A 2 8.992 -7.766 -7.605 1.00 54.25 C ATOM 22 C PRO A 2 8.734 -9.301 -7.498 1.00 11.50 C ATOM 23 O PRO A 2 9.288 -10.097 -8.265 1.00 74.41 O ATOM 24 CB PRO A 2 9.131 -7.303 -9.096 1.00 33.44 C ATOM 25 CG PRO A 2 10.602 -7.099 -9.301 1.00 32.32 C ATOM 26 CD PRO A 2 11.126 -6.602 -7.975 1.00 62.31 C ATOM 0 HA PRO A 2 8.135 -7.324 -7.096 1.00 54.25 H new ATOM 0 HB2 PRO A 2 8.737 -8.054 -9.781 1.00 33.44 H new ATOM 0 HB3 PRO A 2 8.575 -6.383 -9.277 1.00 33.44 H new ATOM 0 HG2 PRO A 2 11.091 -8.028 -9.593 1.00 32.32 H new ATOM 0 HG3 PRO A 2 10.792 -6.376 -10.094 1.00 32.32 H new ATOM 0 HD2 PRO A 2 12.186 -6.822 -7.851 1.00 62.31 H new ATOM 0 HD3 PRO A 2 11.011 -5.523 -7.874 1.00 62.31 H new ATOM 34 N LEU A 3 7.924 -9.693 -6.499 1.00 41.43 N ATOM 35 CA LEU A 3 7.503 -11.100 -6.283 1.00 14.22 C ATOM 36 C LEU A 3 6.039 -11.237 -6.759 1.00 2.31 C ATOM 37 O LEU A 3 5.199 -10.426 -6.396 1.00 11.42 O ATOM 38 CB LEU A 3 7.660 -11.464 -4.761 1.00 22.30 C ATOM 39 CG LEU A 3 7.914 -12.976 -4.390 1.00 42.25 C ATOM 40 CD1 LEU A 3 8.158 -13.137 -2.869 1.00 53.20 C ATOM 41 CD2 LEU A 3 6.776 -13.917 -4.863 1.00 4.11 C ATOM 0 H LEU A 3 7.538 -9.045 -5.813 1.00 41.43 H new ATOM 0 HA LEU A 3 8.125 -11.792 -6.850 1.00 14.22 H new ATOM 0 HB2 LEU A 3 8.486 -10.877 -4.360 1.00 22.30 H new ATOM 0 HB3 LEU A 3 6.757 -11.139 -4.244 1.00 22.30 H new ATOM 0 HG LEU A 3 8.812 -13.278 -4.928 1.00 42.25 H new ATOM 0 HD11 LEU A 3 8.331 -14.188 -2.637 1.00 53.20 H new ATOM 0 HD12 LEU A 3 9.031 -12.553 -2.577 1.00 53.20 H new ATOM 0 HD13 LEU A 3 7.285 -12.784 -2.321 1.00 53.20 H new ATOM 0 HD21 LEU A 3 7.010 -14.943 -4.578 1.00 4.11 H new ATOM 0 HD22 LEU A 3 5.838 -13.616 -4.397 1.00 4.11 H new ATOM 0 HD23 LEU A 3 6.679 -13.855 -5.947 1.00 4.11 H new ATOM 53 N GLU A 4 5.724 -12.278 -7.537 1.00 3.44 N ATOM 54 CA GLU A 4 4.375 -12.451 -8.123 1.00 13.40 C ATOM 55 C GLU A 4 3.638 -13.645 -7.488 1.00 30.52 C ATOM 56 O GLU A 4 4.244 -14.686 -7.206 1.00 23.24 O ATOM 57 CB GLU A 4 4.486 -12.692 -9.655 1.00 13.00 C ATOM 58 CG GLU A 4 3.131 -12.930 -10.365 1.00 65.43 C ATOM 59 CD GLU A 4 3.282 -13.365 -11.827 1.00 13.31 C ATOM 60 OE1 GLU A 4 3.621 -14.547 -12.063 1.00 41.34 O ATOM 61 OE2 GLU A 4 3.069 -12.539 -12.737 1.00 50.14 O ATOM 0 H GLU A 4 6.381 -13.019 -7.780 1.00 3.44 H new ATOM 0 HA GLU A 4 3.811 -11.540 -7.924 1.00 13.40 H new ATOM 0 HB2 GLU A 4 4.975 -11.831 -10.111 1.00 13.00 H new ATOM 0 HB3 GLU A 4 5.130 -13.554 -9.829 1.00 13.00 H new ATOM 0 HG2 GLU A 4 2.573 -13.693 -9.822 1.00 65.43 H new ATOM 0 HG3 GLU A 4 2.541 -12.014 -10.324 1.00 65.43 H new ATOM 68 N TRP A 5 2.331 -13.463 -7.252 1.00 63.23 N ATOM 69 CA TRP A 5 1.412 -14.557 -6.920 1.00 14.34 C ATOM 70 C TRP A 5 0.687 -15.049 -8.190 1.00 25.30 C ATOM 71 O TRP A 5 0.185 -14.246 -8.981 1.00 11.01 O ATOM 72 CB TRP A 5 0.361 -14.111 -5.868 1.00 33.41 C ATOM 73 CG TRP A 5 -0.541 -15.243 -5.450 1.00 23.25 C ATOM 74 CD1 TRP A 5 -0.172 -16.353 -4.758 1.00 62.01 C ATOM 75 CD2 TRP A 5 -1.937 -15.396 -5.724 1.00 20.01 C ATOM 76 NE1 TRP A 5 -1.237 -17.194 -4.609 1.00 50.55 N ATOM 77 CE2 TRP A 5 -2.335 -16.626 -5.180 1.00 33.23 C ATOM 78 CE3 TRP A 5 -2.883 -14.618 -6.384 1.00 23.45 C ATOM 79 CZ2 TRP A 5 -3.638 -17.097 -5.264 1.00 55.43 C ATOM 80 CZ3 TRP A 5 -4.176 -15.086 -6.464 1.00 12.34 C ATOM 81 CH2 TRP A 5 -4.544 -16.316 -5.914 1.00 44.03 C ATOM 0 H TRP A 5 1.881 -12.548 -7.287 1.00 63.23 H new ATOM 0 HA TRP A 5 2.004 -15.369 -6.497 1.00 14.34 H new ATOM 0 HB2 TRP A 5 0.873 -13.714 -4.991 1.00 33.41 H new ATOM 0 HB3 TRP A 5 -0.242 -13.301 -6.280 1.00 33.41 H new ATOM 0 HD1 TRP A 5 0.822 -16.543 -4.380 1.00 62.01 H new ATOM 0 HE1 TRP A 5 -1.214 -18.102 -4.145 1.00 50.55 H new ATOM 0 HE3 TRP A 5 -2.610 -13.670 -6.823 1.00 23.45 H new ATOM 0 HZ2 TRP A 5 -3.922 -18.045 -4.831 1.00 55.43 H new ATOM 0 HZ3 TRP A 5 -4.923 -14.488 -6.964 1.00 12.34 H new ATOM 0 HH2 TRP A 5 -5.566 -16.654 -6.006 1.00 44.03 H new ATOM 92 N ARG A 6 0.623 -16.375 -8.359 1.00 64.13 N ATOM 93 CA ARG A 6 -0.176 -17.016 -9.421 1.00 3.11 C ATOM 94 C ARG A 6 -1.045 -18.153 -8.845 1.00 3.33 C ATOM 95 O ARG A 6 -0.845 -18.590 -7.704 1.00 43.11 O ATOM 96 CB ARG A 6 0.741 -17.501 -10.592 1.00 5.30 C ATOM 97 CG ARG A 6 1.994 -18.349 -10.219 1.00 54.11 C ATOM 98 CD ARG A 6 1.719 -19.820 -9.827 1.00 14.34 C ATOM 99 NE ARG A 6 2.946 -20.636 -9.920 1.00 23.00 N ATOM 100 CZ ARG A 6 3.281 -21.635 -9.139 1.00 64.41 C ATOM 101 NH1 ARG A 6 2.547 -21.996 -8.138 1.00 13.00 N ATOM 102 NH2 ARG A 6 4.374 -22.270 -9.372 1.00 1.14 N ATOM 0 H ARG A 6 1.122 -17.038 -7.766 1.00 64.13 H new ATOM 0 HA ARG A 6 -0.858 -16.275 -9.838 1.00 3.11 H new ATOM 0 HB2 ARG A 6 0.129 -18.088 -11.278 1.00 5.30 H new ATOM 0 HB3 ARG A 6 1.080 -16.622 -11.140 1.00 5.30 H new ATOM 0 HG2 ARG A 6 2.680 -18.341 -11.066 1.00 54.11 H new ATOM 0 HG3 ARG A 6 2.506 -17.861 -9.389 1.00 54.11 H new ATOM 0 HD2 ARG A 6 1.328 -19.861 -8.810 1.00 14.34 H new ATOM 0 HD3 ARG A 6 0.952 -20.236 -10.480 1.00 14.34 H new ATOM 0 HE ARG A 6 3.599 -20.399 -10.667 1.00 23.00 H new ATOM 0 HH11 ARG A 6 1.679 -21.499 -7.937 1.00 13.00 H new ATOM 0 HH12 ARG A 6 2.836 -22.777 -7.550 1.00 13.00 H new ATOM 0 HH21 ARG A 6 4.967 -21.995 -10.155 1.00 1.14 H new ATOM 0 HH22 ARG A 6 4.649 -23.049 -8.774 1.00 1.14 H new ATOM 116 N ALA A 7 -2.003 -18.625 -9.659 1.00 31.50 N ATOM 117 CA ALA A 7 -2.877 -19.757 -9.299 1.00 33.10 C ATOM 118 C ALA A 7 -2.044 -21.060 -9.167 1.00 53.25 C ATOM 119 O ALA A 7 -1.237 -21.381 -10.048 1.00 11.03 O ATOM 120 CB ALA A 7 -3.988 -19.915 -10.353 1.00 35.21 C ATOM 0 H ALA A 7 -2.194 -18.235 -10.582 1.00 31.50 H new ATOM 0 HA ALA A 7 -3.343 -19.557 -8.334 1.00 33.10 H new ATOM 0 HB1 ALA A 7 -4.630 -20.753 -10.082 1.00 35.21 H new ATOM 0 HB2 ALA A 7 -4.581 -19.002 -10.396 1.00 35.21 H new ATOM 0 HB3 ALA A 7 -3.540 -20.103 -11.329 1.00 35.21 H new ATOM 126 N GLY A 8 -2.245 -21.789 -8.054 1.00 22.44 N ATOM 127 CA GLY A 8 -1.467 -23.004 -7.740 1.00 14.33 C ATOM 128 C GLY A 8 -0.306 -22.767 -6.763 1.00 2.14 C ATOM 129 O GLY A 8 0.382 -23.722 -6.381 1.00 1.35 O ATOM 0 H GLY A 8 -2.946 -21.556 -7.351 1.00 22.44 H new ATOM 0 HA2 GLY A 8 -2.137 -23.753 -7.317 1.00 14.33 H new ATOM 0 HA3 GLY A 8 -1.070 -23.418 -8.667 1.00 14.33 H new ATOM 133 N ALA A 9 -0.058 -21.488 -6.382 1.00 73.42 N ATOM 134 CA ALA A 9 0.948 -21.123 -5.348 1.00 3.00 C ATOM 135 C ALA A 9 0.593 -21.692 -3.949 1.00 40.34 C ATOM 136 O ALA A 9 -0.582 -21.863 -3.615 1.00 31.44 O ATOM 137 CB ALA A 9 1.110 -19.595 -5.289 1.00 21.32 C ATOM 0 H ALA A 9 -0.545 -20.685 -6.779 1.00 73.42 H new ATOM 0 HA ALA A 9 1.896 -21.576 -5.639 1.00 3.00 H new ATOM 0 HB1 ALA A 9 1.848 -19.336 -4.530 1.00 21.32 H new ATOM 0 HB2 ALA A 9 1.443 -19.227 -6.259 1.00 21.32 H new ATOM 0 HB3 ALA A 9 0.154 -19.137 -5.036 1.00 21.32 H new ATOM 143 N SER A 10 1.627 -21.960 -3.134 1.00 53.54 N ATOM 144 CA SER A 10 1.457 -22.537 -1.770 1.00 71.44 C ATOM 145 C SER A 10 1.128 -21.423 -0.752 1.00 12.41 C ATOM 146 O SER A 10 1.563 -20.290 -0.929 1.00 1.35 O ATOM 147 CB SER A 10 2.731 -23.297 -1.325 1.00 44.24 C ATOM 148 OG SER A 10 3.025 -24.382 -2.186 1.00 1.22 O ATOM 0 H SER A 10 2.599 -21.788 -3.389 1.00 53.54 H new ATOM 0 HA SER A 10 0.628 -23.244 -1.806 1.00 71.44 H new ATOM 0 HB2 SER A 10 3.576 -22.609 -1.306 1.00 44.24 H new ATOM 0 HB3 SER A 10 2.597 -23.666 -0.308 1.00 44.24 H new ATOM 0 HG SER A 10 3.836 -24.836 -1.875 1.00 1.22 H new ATOM 154 N SER A 11 0.381 -21.764 0.320 1.00 63.20 N ATOM 155 CA SER A 11 -0.093 -20.785 1.341 1.00 73.00 C ATOM 156 C SER A 11 1.073 -20.050 2.042 1.00 52.35 C ATOM 157 O SER A 11 0.963 -18.862 2.363 1.00 2.53 O ATOM 158 CB SER A 11 -0.981 -21.492 2.391 1.00 21.33 C ATOM 159 OG SER A 11 -0.282 -22.537 3.055 1.00 23.14 O ATOM 0 H SER A 11 0.086 -22.722 0.508 1.00 63.20 H new ATOM 0 HA SER A 11 -0.679 -20.033 0.813 1.00 73.00 H new ATOM 0 HB2 SER A 11 -1.328 -20.763 3.124 1.00 21.33 H new ATOM 0 HB3 SER A 11 -1.867 -21.899 1.903 1.00 21.33 H new ATOM 0 HG SER A 11 -0.873 -22.960 3.712 1.00 23.14 H new ATOM 165 N ASP A 12 2.189 -20.768 2.261 1.00 30.13 N ATOM 166 CA ASP A 12 3.420 -20.196 2.849 1.00 43.11 C ATOM 167 C ASP A 12 4.195 -19.316 1.842 1.00 61.11 C ATOM 168 O ASP A 12 4.883 -18.373 2.250 1.00 71.34 O ATOM 169 CB ASP A 12 4.313 -21.310 3.433 1.00 3.43 C ATOM 170 CG ASP A 12 3.642 -21.990 4.637 1.00 43.15 C ATOM 171 OD1 ASP A 12 3.429 -21.304 5.664 1.00 13.51 O ATOM 172 OD2 ASP A 12 3.277 -23.183 4.554 1.00 64.21 O ATOM 0 H ASP A 12 2.266 -21.760 2.037 1.00 30.13 H new ATOM 0 HA ASP A 12 3.118 -19.539 3.665 1.00 43.11 H new ATOM 0 HB2 ASP A 12 4.522 -22.053 2.663 1.00 3.43 H new ATOM 0 HB3 ASP A 12 5.271 -20.889 3.738 1.00 3.43 H new ATOM 177 N GLU A 13 4.090 -19.623 0.530 1.00 24.21 N ATOM 178 CA GLU A 13 4.591 -18.717 -0.535 1.00 14.24 C ATOM 179 C GLU A 13 3.811 -17.388 -0.504 1.00 70.02 C ATOM 180 O GLU A 13 4.389 -16.313 -0.648 1.00 24.02 O ATOM 181 CB GLU A 13 4.474 -19.365 -1.946 1.00 0.13 C ATOM 182 CG GLU A 13 5.218 -20.703 -2.105 1.00 14.32 C ATOM 183 CD GLU A 13 6.720 -20.600 -1.800 1.00 63.10 C ATOM 184 OE1 GLU A 13 7.482 -20.136 -2.670 1.00 55.21 O ATOM 185 OE2 GLU A 13 7.140 -20.967 -0.679 1.00 72.44 O ATOM 0 H GLU A 13 3.667 -20.483 0.182 1.00 24.21 H new ATOM 0 HA GLU A 13 5.647 -18.529 -0.341 1.00 14.24 H new ATOM 0 HB2 GLU A 13 3.419 -19.523 -2.172 1.00 0.13 H new ATOM 0 HB3 GLU A 13 4.857 -18.662 -2.686 1.00 0.13 H new ATOM 0 HG2 GLU A 13 4.769 -21.442 -1.442 1.00 14.32 H new ATOM 0 HG3 GLU A 13 5.085 -21.067 -3.124 1.00 14.32 H new ATOM 192 N ILE A 14 2.483 -17.494 -0.277 1.00 30.31 N ATOM 193 CA ILE A 14 1.597 -16.323 -0.137 1.00 23.44 C ATOM 194 C ILE A 14 1.892 -15.564 1.184 1.00 31.11 C ATOM 195 O ILE A 14 1.739 -14.359 1.233 1.00 22.24 O ATOM 196 CB ILE A 14 0.068 -16.708 -0.203 1.00 61.13 C ATOM 197 CG1 ILE A 14 -0.215 -17.669 -1.403 1.00 73.12 C ATOM 198 CG2 ILE A 14 -0.820 -15.436 -0.301 1.00 62.13 C ATOM 199 CD1 ILE A 14 -1.666 -18.103 -1.569 1.00 3.32 C ATOM 0 H ILE A 14 2.000 -18.388 -0.187 1.00 30.31 H new ATOM 0 HA ILE A 14 1.808 -15.672 -0.985 1.00 23.44 H new ATOM 0 HB ILE A 14 -0.185 -17.231 0.719 1.00 61.13 H new ATOM 0 HG12 ILE A 14 0.107 -17.179 -2.322 1.00 73.12 H new ATOM 0 HG13 ILE A 14 0.401 -18.560 -1.285 1.00 73.12 H new ATOM 0 HG21 ILE A 14 -1.869 -15.727 -0.345 1.00 62.13 H new ATOM 0 HG22 ILE A 14 -0.654 -14.808 0.575 1.00 62.13 H new ATOM 0 HG23 ILE A 14 -0.560 -14.879 -1.201 1.00 62.13 H new ATOM 0 HD11 ILE A 14 -1.751 -18.767 -2.429 1.00 3.32 H new ATOM 0 HD12 ILE A 14 -1.994 -18.628 -0.672 1.00 3.32 H new ATOM 0 HD13 ILE A 14 -2.293 -17.225 -1.725 1.00 3.32 H new ATOM 211 N ASN A 15 2.321 -16.284 2.246 1.00 31.04 N ATOM 212 CA ASN A 15 2.778 -15.659 3.524 1.00 54.01 C ATOM 213 C ASN A 15 4.066 -14.827 3.319 1.00 30.31 C ATOM 214 O ASN A 15 4.257 -13.800 3.977 1.00 11.52 O ATOM 215 CB ASN A 15 3.012 -16.728 4.623 1.00 23.03 C ATOM 216 CG ASN A 15 1.721 -17.358 5.137 1.00 60.11 C ATOM 217 OD1 ASN A 15 0.678 -16.716 5.183 1.00 30.42 O ATOM 218 ND2 ASN A 15 1.781 -18.612 5.531 1.00 13.41 N ATOM 0 H ASN A 15 2.363 -17.303 2.250 1.00 31.04 H new ATOM 0 HA ASN A 15 1.982 -14.990 3.852 1.00 54.01 H new ATOM 0 HB2 ASN A 15 3.658 -17.512 4.226 1.00 23.03 H new ATOM 0 HB3 ASN A 15 3.542 -16.270 5.458 1.00 23.03 H new ATOM 0 HD21 ASN A 15 0.945 -19.075 5.887 1.00 13.41 H new ATOM 0 HD22 ASN A 15 2.664 -19.121 5.481 1.00 13.41 H new ATOM 225 N ALA A 16 4.945 -15.294 2.413 1.00 52.41 N ATOM 226 CA ALA A 16 6.159 -14.546 2.007 1.00 65.05 C ATOM 227 C ALA A 16 5.781 -13.281 1.194 1.00 51.30 C ATOM 228 O ALA A 16 6.427 -12.240 1.309 1.00 10.31 O ATOM 229 CB ALA A 16 7.100 -15.453 1.198 1.00 24.32 C ATOM 0 H ALA A 16 4.839 -16.193 1.943 1.00 52.41 H new ATOM 0 HA ALA A 16 6.681 -14.223 2.908 1.00 65.05 H new ATOM 0 HB1 ALA A 16 7.987 -14.890 0.907 1.00 24.32 H new ATOM 0 HB2 ALA A 16 7.396 -16.306 1.808 1.00 24.32 H new ATOM 0 HB3 ALA A 16 6.585 -15.807 0.305 1.00 24.32 H new ATOM 235 N ILE A 17 4.719 -13.408 0.376 1.00 11.33 N ATOM 236 CA ILE A 17 4.116 -12.287 -0.390 1.00 61.22 C ATOM 237 C ILE A 17 3.449 -11.256 0.560 1.00 15.44 C ATOM 238 O ILE A 17 3.584 -10.051 0.356 1.00 44.20 O ATOM 239 CB ILE A 17 3.078 -12.859 -1.434 1.00 61.22 C ATOM 240 CG1 ILE A 17 3.830 -13.742 -2.485 1.00 2.45 C ATOM 241 CG2 ILE A 17 2.233 -11.750 -2.119 1.00 71.22 C ATOM 242 CD1 ILE A 17 2.944 -14.555 -3.406 1.00 12.03 C ATOM 0 H ILE A 17 4.246 -14.299 0.223 1.00 11.33 H new ATOM 0 HA ILE A 17 4.904 -11.763 -0.930 1.00 61.22 H new ATOM 0 HB ILE A 17 2.363 -13.476 -0.890 1.00 61.22 H new ATOM 0 HG12 ILE A 17 4.460 -13.094 -3.094 1.00 2.45 H new ATOM 0 HG13 ILE A 17 4.494 -14.423 -1.953 1.00 2.45 H new ATOM 0 HG21 ILE A 17 1.539 -12.206 -2.825 1.00 71.22 H new ATOM 0 HG22 ILE A 17 1.673 -11.200 -1.363 1.00 71.22 H new ATOM 0 HG23 ILE A 17 2.894 -11.065 -2.651 1.00 71.22 H new ATOM 0 HD11 ILE A 17 3.564 -15.130 -4.094 1.00 12.03 H new ATOM 0 HD12 ILE A 17 2.332 -15.236 -2.814 1.00 12.03 H new ATOM 0 HD13 ILE A 17 2.297 -13.886 -3.973 1.00 12.03 H new ATOM 254 N ILE A 18 2.762 -11.752 1.607 1.00 25.21 N ATOM 255 CA ILE A 18 2.168 -10.915 2.679 1.00 4.44 C ATOM 256 C ILE A 18 3.276 -10.118 3.398 1.00 62.40 C ATOM 257 O ILE A 18 3.158 -8.918 3.590 1.00 41.31 O ATOM 258 CB ILE A 18 1.384 -11.795 3.738 1.00 50.14 C ATOM 259 CG1 ILE A 18 0.124 -12.457 3.092 1.00 53.01 C ATOM 260 CG2 ILE A 18 0.995 -10.980 5.008 1.00 44.52 C ATOM 261 CD1 ILE A 18 -0.538 -13.530 3.945 1.00 32.31 C ATOM 0 H ILE A 18 2.600 -12.751 1.738 1.00 25.21 H new ATOM 0 HA ILE A 18 1.460 -10.231 2.211 1.00 4.44 H new ATOM 0 HB ILE A 18 2.061 -12.586 4.060 1.00 50.14 H new ATOM 0 HG12 ILE A 18 -0.609 -11.679 2.878 1.00 53.01 H new ATOM 0 HG13 ILE A 18 0.411 -12.897 2.137 1.00 53.01 H new ATOM 0 HG21 ILE A 18 0.460 -11.625 5.705 1.00 44.52 H new ATOM 0 HG22 ILE A 18 1.897 -10.599 5.486 1.00 44.52 H new ATOM 0 HG23 ILE A 18 0.355 -10.145 4.723 1.00 44.52 H new ATOM 0 HD11 ILE A 18 -1.402 -13.933 3.417 1.00 32.31 H new ATOM 0 HD12 ILE A 18 0.175 -14.332 4.139 1.00 32.31 H new ATOM 0 HD13 ILE A 18 -0.861 -13.095 4.891 1.00 32.31 H new ATOM 273 N ARG A 19 4.356 -10.826 3.757 1.00 21.44 N ATOM 274 CA ARG A 19 5.508 -10.259 4.491 1.00 34.22 C ATOM 275 C ARG A 19 6.323 -9.280 3.601 1.00 40.04 C ATOM 276 O ARG A 19 6.962 -8.361 4.114 1.00 63.20 O ATOM 277 CB ARG A 19 6.405 -11.415 5.015 1.00 13.02 C ATOM 278 CG ARG A 19 7.352 -11.038 6.183 1.00 42.52 C ATOM 279 CD ARG A 19 8.244 -12.221 6.609 1.00 54.20 C ATOM 280 NE ARG A 19 8.937 -11.993 7.892 1.00 62.54 N ATOM 281 CZ ARG A 19 10.068 -12.550 8.258 1.00 1.21 C ATOM 282 NH1 ARG A 19 10.740 -13.305 7.456 1.00 34.43 N ATOM 283 NH2 ARG A 19 10.526 -12.339 9.437 1.00 50.20 N ATOM 0 H ARG A 19 4.460 -11.819 3.546 1.00 21.44 H new ATOM 0 HA ARG A 19 5.135 -9.684 5.338 1.00 34.22 H new ATOM 0 HB2 ARG A 19 5.763 -12.234 5.339 1.00 13.02 H new ATOM 0 HB3 ARG A 19 7.007 -11.790 4.187 1.00 13.02 H new ATOM 0 HG2 ARG A 19 7.981 -10.199 5.884 1.00 42.52 H new ATOM 0 HG3 ARG A 19 6.761 -10.704 7.036 1.00 42.52 H new ATOM 0 HD2 ARG A 19 7.632 -13.119 6.689 1.00 54.20 H new ATOM 0 HD3 ARG A 19 8.985 -12.408 5.831 1.00 54.20 H new ATOM 0 HE ARG A 19 8.500 -11.348 8.550 1.00 62.54 H new ATOM 0 HH11 ARG A 19 10.395 -13.481 6.512 1.00 34.43 H new ATOM 0 HH12 ARG A 19 11.616 -13.726 7.766 1.00 34.43 H new ATOM 0 HH21 ARG A 19 10.012 -11.741 10.084 1.00 50.20 H new ATOM 0 HH22 ARG A 19 11.404 -12.769 9.727 1.00 50.20 H new ATOM 297 N ALA A 20 6.300 -9.506 2.269 1.00 40.44 N ATOM 298 CA ALA A 20 6.940 -8.608 1.272 1.00 52.30 C ATOM 299 C ALA A 20 6.154 -7.281 1.116 1.00 63.05 C ATOM 300 O ALA A 20 6.751 -6.196 1.080 1.00 61.43 O ATOM 301 CB ALA A 20 7.067 -9.325 -0.085 1.00 72.34 C ATOM 0 H ALA A 20 5.839 -10.314 1.851 1.00 40.44 H new ATOM 0 HA ALA A 20 7.937 -8.359 1.635 1.00 52.30 H new ATOM 0 HB1 ALA A 20 7.537 -8.657 -0.807 1.00 72.34 H new ATOM 0 HB2 ALA A 20 7.678 -10.220 0.032 1.00 72.34 H new ATOM 0 HB3 ALA A 20 6.076 -9.606 -0.442 1.00 72.34 H new ATOM 307 N VAL A 21 4.807 -7.394 1.025 1.00 31.42 N ATOM 308 CA VAL A 21 3.882 -6.228 1.019 1.00 63.41 C ATOM 309 C VAL A 21 4.030 -5.434 2.337 1.00 62.10 C ATOM 310 O VAL A 21 4.140 -4.208 2.336 1.00 10.13 O ATOM 311 CB VAL A 21 2.378 -6.679 0.838 1.00 52.13 C ATOM 312 CG1 VAL A 21 1.397 -5.491 1.000 1.00 23.21 C ATOM 313 CG2 VAL A 21 2.160 -7.382 -0.528 1.00 41.43 C ATOM 0 H VAL A 21 4.329 -8.292 0.954 1.00 31.42 H new ATOM 0 HA VAL A 21 4.149 -5.595 0.173 1.00 63.41 H new ATOM 0 HB VAL A 21 2.165 -7.397 1.630 1.00 52.13 H new ATOM 0 HG11 VAL A 21 0.374 -5.843 0.868 1.00 23.21 H new ATOM 0 HG12 VAL A 21 1.507 -5.061 1.996 1.00 23.21 H new ATOM 0 HG13 VAL A 21 1.618 -4.731 0.250 1.00 23.21 H new ATOM 0 HG21 VAL A 21 1.116 -7.680 -0.621 1.00 41.43 H new ATOM 0 HG22 VAL A 21 2.415 -6.696 -1.335 1.00 41.43 H new ATOM 0 HG23 VAL A 21 2.796 -8.265 -0.588 1.00 41.43 H new ATOM 323 N TYR A 22 4.049 -6.186 3.445 1.00 14.12 N ATOM 324 CA TYR A 22 4.283 -5.668 4.801 1.00 23.33 C ATOM 325 C TYR A 22 5.611 -4.887 4.890 1.00 54.33 C ATOM 326 O TYR A 22 5.622 -3.760 5.357 1.00 71.23 O ATOM 327 CB TYR A 22 4.270 -6.840 5.842 1.00 12.12 C ATOM 328 CG TYR A 22 2.895 -7.182 6.456 1.00 40.12 C ATOM 329 CD1 TYR A 22 1.699 -7.005 5.748 1.00 22.44 C ATOM 330 CD2 TYR A 22 2.803 -7.662 7.769 1.00 24.33 C ATOM 331 CE1 TYR A 22 0.479 -7.290 6.332 1.00 33.30 C ATOM 332 CE2 TYR A 22 1.586 -7.949 8.347 1.00 44.25 C ATOM 333 CZ TYR A 22 0.431 -7.757 7.628 1.00 64.03 C ATOM 334 OH TYR A 22 -0.776 -8.028 8.214 1.00 74.01 O ATOM 0 H TYR A 22 3.899 -7.195 3.424 1.00 14.12 H new ATOM 0 HA TYR A 22 3.475 -4.975 5.035 1.00 23.33 H new ATOM 0 HB2 TYR A 22 4.663 -7.734 5.358 1.00 12.12 H new ATOM 0 HB3 TYR A 22 4.955 -6.589 6.652 1.00 12.12 H new ATOM 0 HD1 TYR A 22 1.731 -6.641 4.732 1.00 22.44 H new ATOM 0 HD2 TYR A 22 3.707 -7.810 8.341 1.00 24.33 H new ATOM 0 HE1 TYR A 22 -0.435 -7.147 5.774 1.00 33.30 H new ATOM 0 HE2 TYR A 22 1.540 -8.323 9.359 1.00 44.25 H new ATOM 0 HH TYR A 22 -1.006 -8.970 8.069 1.00 74.01 H new ATOM 344 N ARG A 23 6.717 -5.482 4.399 1.00 73.32 N ATOM 345 CA ARG A 23 8.063 -4.880 4.545 1.00 63.54 C ATOM 346 C ARG A 23 8.204 -3.571 3.737 1.00 64.05 C ATOM 347 O ARG A 23 8.929 -2.650 4.143 1.00 65.41 O ATOM 348 CB ARG A 23 9.188 -5.895 4.191 1.00 63.12 C ATOM 349 CG ARG A 23 10.580 -5.469 4.725 1.00 72.44 C ATOM 350 CD ARG A 23 11.643 -6.586 4.712 1.00 30.04 C ATOM 351 NE ARG A 23 12.723 -6.280 5.669 1.00 22.21 N ATOM 352 CZ ARG A 23 13.868 -6.906 5.785 1.00 73.31 C ATOM 353 NH1 ARG A 23 14.221 -7.842 4.956 1.00 51.24 N ATOM 354 NH2 ARG A 23 14.662 -6.579 6.747 1.00 31.33 N ATOM 0 H ARG A 23 6.708 -6.372 3.901 1.00 73.32 H new ATOM 0 HA ARG A 23 8.180 -4.618 5.597 1.00 63.54 H new ATOM 0 HB2 ARG A 23 8.931 -6.871 4.602 1.00 63.12 H new ATOM 0 HB3 ARG A 23 9.240 -6.008 3.108 1.00 63.12 H new ATOM 0 HG2 ARG A 23 10.943 -4.633 4.127 1.00 72.44 H new ATOM 0 HG3 ARG A 23 10.467 -5.105 5.746 1.00 72.44 H new ATOM 0 HD2 ARG A 23 11.181 -7.539 4.968 1.00 30.04 H new ATOM 0 HD3 ARG A 23 12.056 -6.692 3.709 1.00 30.04 H new ATOM 0 HE ARG A 23 12.562 -5.500 6.306 1.00 22.21 H new ATOM 0 HH11 ARG A 23 13.600 -8.106 4.191 1.00 51.24 H new ATOM 0 HH12 ARG A 23 15.119 -8.313 5.070 1.00 51.24 H new ATOM 0 HH21 ARG A 23 14.394 -5.844 7.402 1.00 31.33 H new ATOM 0 HH22 ARG A 23 15.558 -7.055 6.853 1.00 31.33 H new ATOM 368 N GLN A 24 7.489 -3.491 2.604 1.00 55.33 N ATOM 369 CA GLN A 24 7.460 -2.276 1.770 1.00 21.31 C ATOM 370 C GLN A 24 6.594 -1.157 2.393 1.00 65.22 C ATOM 371 O GLN A 24 7.072 -0.033 2.546 1.00 53.33 O ATOM 372 CB GLN A 24 6.941 -2.633 0.352 1.00 5.21 C ATOM 373 CG GLN A 24 7.971 -3.394 -0.511 1.00 33.31 C ATOM 374 CD GLN A 24 9.182 -2.539 -0.943 1.00 3.20 C ATOM 375 OE1 GLN A 24 8.971 -1.245 -1.169 1.00 25.51 O flip ATOM 376 NE2 GLN A 24 10.292 -3.041 -1.118 1.00 23.45 N flip ATOM 0 H GLN A 24 6.920 -4.256 2.242 1.00 55.33 H new ATOM 0 HA GLN A 24 8.478 -1.891 1.706 1.00 21.31 H new ATOM 0 HB2 GLN A 24 6.040 -3.239 0.446 1.00 5.21 H new ATOM 0 HB3 GLN A 24 6.656 -1.716 -0.163 1.00 5.21 H new ATOM 0 HG2 GLN A 24 8.330 -4.258 0.048 1.00 33.31 H new ATOM 0 HG3 GLN A 24 7.472 -3.775 -1.402 1.00 33.31 H new ATOM 0 HE21 GLN A 24 10.436 -4.035 -0.940 1.00 23.45 H new ATOM 0 HE22 GLN A 24 11.068 -2.463 -1.441 1.00 23.45 H new ATOM 385 N VAL A 25 5.360 -1.487 2.819 1.00 20.12 N ATOM 386 CA VAL A 25 4.388 -0.476 3.309 1.00 11.23 C ATOM 387 C VAL A 25 4.734 0.004 4.742 1.00 13.23 C ATOM 388 O VAL A 25 4.748 1.195 5.021 1.00 23.04 O ATOM 389 CB VAL A 25 2.907 -1.014 3.250 1.00 24.12 C ATOM 390 CG1 VAL A 25 1.893 0.045 3.768 1.00 41.21 C ATOM 391 CG2 VAL A 25 2.539 -1.471 1.811 1.00 43.12 C ATOM 0 H VAL A 25 5.007 -2.444 2.836 1.00 20.12 H new ATOM 0 HA VAL A 25 4.462 0.381 2.639 1.00 11.23 H new ATOM 0 HB VAL A 25 2.847 -1.879 3.910 1.00 24.12 H new ATOM 0 HG11 VAL A 25 0.883 -0.361 3.713 1.00 41.21 H new ATOM 0 HG12 VAL A 25 2.127 0.297 4.802 1.00 41.21 H new ATOM 0 HG13 VAL A 25 1.958 0.942 3.153 1.00 41.21 H new ATOM 0 HG21 VAL A 25 1.513 -1.838 1.797 1.00 43.12 H new ATOM 0 HG22 VAL A 25 2.632 -0.628 1.126 1.00 43.12 H new ATOM 0 HG23 VAL A 25 3.213 -2.268 1.499 1.00 43.12 H new ATOM 401 N LEU A 26 5.065 -0.945 5.618 1.00 21.41 N ATOM 402 CA LEU A 26 5.409 -0.681 7.038 1.00 75.24 C ATOM 403 C LEU A 26 6.887 -0.230 7.212 1.00 43.34 C ATOM 404 O LEU A 26 7.297 0.098 8.328 1.00 42.21 O ATOM 405 CB LEU A 26 5.101 -1.946 7.882 1.00 72.15 C ATOM 406 CG LEU A 26 3.568 -2.245 8.118 1.00 32.32 C ATOM 407 CD1 LEU A 26 3.250 -3.758 8.101 1.00 71.24 C ATOM 408 CD2 LEU A 26 3.087 -1.613 9.445 1.00 33.13 C ATOM 0 H LEU A 26 5.106 -1.934 5.371 1.00 21.41 H new ATOM 0 HA LEU A 26 4.796 0.148 7.392 1.00 75.24 H new ATOM 0 HB2 LEU A 26 5.551 -2.809 7.390 1.00 72.15 H new ATOM 0 HB3 LEU A 26 5.587 -1.842 8.852 1.00 72.15 H new ATOM 0 HG LEU A 26 3.028 -1.792 7.287 1.00 32.32 H new ATOM 0 HD11 LEU A 26 2.183 -3.907 8.268 1.00 71.24 H new ATOM 0 HD12 LEU A 26 3.528 -4.177 7.134 1.00 71.24 H new ATOM 0 HD13 LEU A 26 3.814 -4.257 8.889 1.00 71.24 H new ATOM 0 HD21 LEU A 26 2.029 -1.830 9.589 1.00 33.13 H new ATOM 0 HD22 LEU A 26 3.659 -2.029 10.274 1.00 33.13 H new ATOM 0 HD23 LEU A 26 3.234 -0.534 9.408 1.00 33.13 H new ATOM 420 N GLY A 27 7.671 -0.236 6.108 1.00 2.21 N ATOM 421 CA GLY A 27 9.040 0.318 6.094 1.00 14.42 C ATOM 422 C GLY A 27 10.061 -0.505 6.894 1.00 50.10 C ATOM 423 O GLY A 27 10.854 -1.268 6.319 1.00 32.25 O ATOM 0 H GLY A 27 7.373 -0.622 5.212 1.00 2.21 H new ATOM 0 HA2 GLY A 27 9.379 0.392 5.061 1.00 14.42 H new ATOM 0 HA3 GLY A 27 9.014 1.332 6.494 1.00 14.42 H new ATOM 427 N ASN A 28 10.052 -0.327 8.236 1.00 11.50 N ATOM 428 CA ASN A 28 10.894 -1.113 9.165 1.00 71.35 C ATOM 429 C ASN A 28 10.255 -2.504 9.391 1.00 1.32 C ATOM 430 O ASN A 28 9.650 -2.779 10.445 1.00 33.35 O ATOM 431 CB ASN A 28 11.088 -0.352 10.507 1.00 44.21 C ATOM 432 CG ASN A 28 12.049 -1.048 11.491 1.00 21.01 C ATOM 433 OD1 ASN A 28 11.866 -0.980 12.701 1.00 63.11 O ATOM 434 ND2 ASN A 28 13.087 -1.713 10.995 1.00 42.21 N ATOM 0 H ASN A 28 9.463 0.363 8.702 1.00 11.50 H new ATOM 0 HA ASN A 28 11.882 -1.253 8.726 1.00 71.35 H new ATOM 0 HB2 ASN A 28 11.465 0.648 10.294 1.00 44.21 H new ATOM 0 HB3 ASN A 28 10.117 -0.231 10.988 1.00 44.21 H new ATOM 0 HD21 ASN A 28 13.744 -2.175 11.624 1.00 42.21 H new ATOM 0 HD22 ASN A 28 13.227 -1.761 9.986 1.00 42.21 H new ATOM 441 N ASP A 29 10.393 -3.356 8.362 1.00 2.14 N ATOM 442 CA ASP A 29 9.735 -4.664 8.268 1.00 3.42 C ATOM 443 C ASP A 29 8.197 -4.551 8.448 1.00 44.22 C ATOM 444 O ASP A 29 7.493 -4.207 7.507 1.00 54.44 O ATOM 445 CB ASP A 29 10.385 -5.716 9.218 1.00 64.52 C ATOM 446 CG ASP A 29 11.845 -6.060 8.847 1.00 20.32 C ATOM 447 OD1 ASP A 29 12.678 -5.134 8.683 1.00 4.13 O ATOM 448 OD2 ASP A 29 12.167 -7.260 8.731 1.00 21.21 O ATOM 0 H ASP A 29 10.980 -3.147 7.554 1.00 2.14 H new ATOM 0 HA ASP A 29 9.896 -5.035 7.256 1.00 3.42 H new ATOM 0 HB2 ASP A 29 10.357 -5.338 10.240 1.00 64.52 H new ATOM 0 HB3 ASP A 29 9.789 -6.628 9.200 1.00 64.52 H new ATOM 453 N TYR A 30 7.688 -4.766 9.676 1.00 54.14 N ATOM 454 CA TYR A 30 6.238 -4.917 9.915 1.00 65.43 C ATOM 455 C TYR A 30 5.883 -4.932 11.413 1.00 73.43 C ATOM 456 O TYR A 30 6.749 -4.773 12.280 1.00 55.54 O ATOM 457 CB TYR A 30 5.725 -6.221 9.223 1.00 45.21 C ATOM 458 CG TYR A 30 6.484 -7.487 9.641 1.00 72.33 C ATOM 459 CD1 TYR A 30 6.193 -8.126 10.835 1.00 31.33 C ATOM 460 CD2 TYR A 30 7.510 -8.007 8.861 1.00 20.11 C ATOM 461 CE1 TYR A 30 6.891 -9.234 11.247 1.00 73.44 C ATOM 462 CE2 TYR A 30 8.211 -9.120 9.264 1.00 31.31 C ATOM 463 CZ TYR A 30 7.897 -9.731 10.464 1.00 33.30 C ATOM 464 OH TYR A 30 8.596 -10.843 10.878 1.00 23.24 O ATOM 0 H TYR A 30 8.258 -4.839 10.518 1.00 54.14 H new ATOM 0 HA TYR A 30 5.743 -4.047 9.483 1.00 65.43 H new ATOM 0 HB2 TYR A 30 4.667 -6.351 9.453 1.00 45.21 H new ATOM 0 HB3 TYR A 30 5.804 -6.102 8.142 1.00 45.21 H new ATOM 0 HD1 TYR A 30 5.397 -7.743 11.457 1.00 31.33 H new ATOM 0 HD2 TYR A 30 7.761 -7.530 7.925 1.00 20.11 H new ATOM 0 HE1 TYR A 30 6.647 -9.711 12.185 1.00 73.44 H new ATOM 0 HE2 TYR A 30 9.003 -9.515 8.646 1.00 31.31 H new ATOM 0 HH TYR A 30 8.013 -11.412 11.423 1.00 23.24 H new ATOM 474 N VAL A 31 4.582 -5.154 11.688 1.00 72.44 N ATOM 475 CA VAL A 31 4.045 -5.351 13.049 1.00 71.03 C ATOM 476 C VAL A 31 3.963 -6.872 13.390 1.00 73.30 C ATOM 477 O VAL A 31 4.918 -7.419 13.960 1.00 43.25 O ATOM 478 CB VAL A 31 2.645 -4.639 13.199 1.00 41.32 C ATOM 479 CG1 VAL A 31 2.064 -4.801 14.624 1.00 11.40 C ATOM 480 CG2 VAL A 31 2.756 -3.145 12.807 1.00 20.10 C ATOM 0 H VAL A 31 3.867 -5.202 10.963 1.00 72.44 H new ATOM 0 HA VAL A 31 4.725 -4.891 13.767 1.00 71.03 H new ATOM 0 HB VAL A 31 1.949 -5.126 12.516 1.00 41.32 H new ATOM 0 HG11 VAL A 31 1.100 -4.296 14.683 1.00 11.40 H new ATOM 0 HG12 VAL A 31 1.933 -5.860 14.845 1.00 11.40 H new ATOM 0 HG13 VAL A 31 2.749 -4.361 15.349 1.00 11.40 H new ATOM 0 HG21 VAL A 31 1.782 -2.667 12.916 1.00 20.10 H new ATOM 0 HG22 VAL A 31 3.477 -2.651 13.458 1.00 20.10 H new ATOM 0 HG23 VAL A 31 3.086 -3.064 11.771 1.00 20.10 H new ATOM 490 N MET A 32 2.839 -7.553 13.003 1.00 32.21 N ATOM 491 CA MET A 32 2.596 -9.014 13.263 1.00 15.43 C ATOM 492 C MET A 32 2.586 -9.369 14.800 1.00 22.14 C ATOM 493 O MET A 32 2.802 -8.487 15.639 1.00 32.04 O ATOM 494 CB MET A 32 3.613 -9.865 12.430 1.00 34.11 C ATOM 495 CG MET A 32 3.359 -11.380 12.350 1.00 23.42 C ATOM 496 SD MET A 32 4.326 -12.188 11.052 1.00 15.30 S ATOM 497 CE MET A 32 3.646 -11.455 9.551 1.00 31.31 C ATOM 0 H MET A 32 2.073 -7.104 12.501 1.00 32.21 H new ATOM 0 HA MET A 32 1.591 -9.268 12.926 1.00 15.43 H new ATOM 0 HB2 MET A 32 3.631 -9.471 11.414 1.00 34.11 H new ATOM 0 HB3 MET A 32 4.607 -9.710 12.850 1.00 34.11 H new ATOM 0 HG2 MET A 32 3.599 -11.835 13.311 1.00 23.42 H new ATOM 0 HG3 MET A 32 2.299 -11.557 12.169 1.00 23.42 H new ATOM 0 HE1 MET A 32 3.074 -12.206 9.006 1.00 31.31 H new ATOM 0 HE2 MET A 32 2.993 -10.624 9.816 1.00 31.31 H new ATOM 0 HE3 MET A 32 4.459 -11.092 8.923 1.00 31.31 H new ATOM 507 N SER A 33 2.216 -10.638 15.147 1.00 41.11 N ATOM 508 CA SER A 33 2.169 -11.187 16.549 1.00 34.22 C ATOM 509 C SER A 33 0.901 -10.719 17.327 1.00 25.04 C ATOM 510 O SER A 33 0.393 -11.438 18.195 1.00 73.33 O ATOM 511 CB SER A 33 3.469 -10.895 17.355 1.00 22.23 C ATOM 512 OG SER A 33 3.488 -11.584 18.598 1.00 2.34 O ATOM 0 H SER A 33 1.935 -11.327 14.449 1.00 41.11 H new ATOM 0 HA SER A 33 2.102 -12.269 16.440 1.00 34.22 H new ATOM 0 HB2 SER A 33 4.336 -11.189 16.764 1.00 22.23 H new ATOM 0 HB3 SER A 33 3.553 -9.823 17.533 1.00 22.23 H new ATOM 0 HG SER A 33 4.319 -11.377 19.074 1.00 2.34 H new ATOM 518 N THR A 34 0.412 -9.508 16.995 1.00 0.22 N ATOM 519 CA THR A 34 -0.877 -8.945 17.480 1.00 12.43 C ATOM 520 C THR A 34 -2.083 -9.520 16.659 1.00 55.04 C ATOM 521 O THR A 34 -1.965 -10.593 16.057 1.00 31.15 O ATOM 522 CB THR A 34 -0.809 -7.370 17.375 1.00 40.04 C ATOM 523 OG1 THR A 34 -1.962 -6.759 17.974 1.00 4.20 O ATOM 524 CG2 THR A 34 -0.681 -6.891 15.913 1.00 52.40 C ATOM 0 H THR A 34 0.909 -8.875 16.368 1.00 0.22 H new ATOM 0 HA THR A 34 -1.036 -9.231 18.520 1.00 12.43 H new ATOM 0 HB THR A 34 0.085 -7.064 17.918 1.00 40.04 H new ATOM 0 HG1 THR A 34 -1.893 -5.784 17.896 1.00 4.20 H new ATOM 0 HG21 THR A 34 -0.638 -5.802 15.889 1.00 52.40 H new ATOM 0 HG22 THR A 34 0.229 -7.300 15.474 1.00 52.40 H new ATOM 0 HG23 THR A 34 -1.544 -7.232 15.341 1.00 52.40 H new ATOM 532 N GLU A 35 -3.243 -8.824 16.660 1.00 3.45 N ATOM 533 CA GLU A 35 -4.430 -9.196 15.839 1.00 2.30 C ATOM 534 C GLU A 35 -4.086 -9.276 14.327 1.00 22.22 C ATOM 535 O GLU A 35 -4.546 -10.196 13.632 1.00 53.23 O ATOM 536 CB GLU A 35 -5.593 -8.183 16.060 1.00 5.34 C ATOM 537 CG GLU A 35 -6.249 -8.214 17.465 1.00 71.42 C ATOM 538 CD GLU A 35 -5.326 -7.758 18.612 1.00 54.04 C ATOM 539 OE1 GLU A 35 -4.999 -6.557 18.670 1.00 12.01 O ATOM 540 OE2 GLU A 35 -4.911 -8.595 19.444 1.00 75.12 O ATOM 0 H GLU A 35 -3.388 -7.989 17.228 1.00 3.45 H new ATOM 0 HA GLU A 35 -4.747 -10.186 16.167 1.00 2.30 H new ATOM 0 HB2 GLU A 35 -5.215 -7.177 15.877 1.00 5.34 H new ATOM 0 HB3 GLU A 35 -6.364 -8.374 15.314 1.00 5.34 H new ATOM 0 HG2 GLU A 35 -7.134 -7.578 17.453 1.00 71.42 H new ATOM 0 HG3 GLU A 35 -6.589 -9.229 17.671 1.00 71.42 H new ATOM 547 N ARG A 36 -3.297 -8.276 13.841 1.00 20.00 N ATOM 548 CA ARG A 36 -2.734 -8.247 12.461 1.00 11.34 C ATOM 549 C ARG A 36 -3.874 -8.121 11.390 1.00 3.21 C ATOM 550 O ARG A 36 -5.045 -7.922 11.741 1.00 3.53 O ATOM 551 CB ARG A 36 -1.820 -9.506 12.264 1.00 44.20 C ATOM 552 CG ARG A 36 -0.783 -9.445 11.129 1.00 13.40 C ATOM 553 CD ARG A 36 0.020 -10.757 10.994 1.00 52.21 C ATOM 554 NE ARG A 36 -0.812 -11.891 10.544 1.00 2.21 N ATOM 555 CZ ARG A 36 -0.656 -13.156 10.868 1.00 52.23 C ATOM 556 NH1 ARG A 36 0.176 -13.530 11.780 1.00 33.35 N ATOM 557 NH2 ARG A 36 -1.378 -14.043 10.278 1.00 55.11 N ATOM 0 H ARG A 36 -3.033 -7.464 14.399 1.00 20.00 H new ATOM 0 HA ARG A 36 -2.113 -7.363 12.321 1.00 11.34 H new ATOM 0 HB2 ARG A 36 -1.289 -9.689 13.198 1.00 44.20 H new ATOM 0 HB3 ARG A 36 -2.464 -10.368 12.089 1.00 44.20 H new ATOM 0 HG2 ARG A 36 -1.291 -9.234 10.188 1.00 13.40 H new ATOM 0 HG3 ARG A 36 -0.096 -8.619 11.312 1.00 13.40 H new ATOM 0 HD2 ARG A 36 0.836 -10.608 10.287 1.00 52.21 H new ATOM 0 HD3 ARG A 36 0.472 -11.002 11.955 1.00 52.21 H new ATOM 0 HE ARG A 36 -1.587 -11.671 9.918 1.00 2.21 H new ATOM 0 HH11 ARG A 36 0.737 -12.836 12.274 1.00 33.35 H new ATOM 0 HH12 ARG A 36 0.273 -14.520 12.007 1.00 33.35 H new ATOM 0 HH21 ARG A 36 -2.058 -13.760 9.572 1.00 55.11 H new ATOM 0 HH22 ARG A 36 -1.271 -15.029 10.516 1.00 55.11 H new ATOM 571 N LEU A 37 -3.541 -8.200 10.083 1.00 32.23 N ATOM 572 CA LEU A 37 -4.552 -8.168 8.988 1.00 30.31 C ATOM 573 C LEU A 37 -5.051 -9.585 8.636 1.00 41.51 C ATOM 574 O LEU A 37 -5.308 -9.889 7.469 1.00 72.22 O ATOM 575 CB LEU A 37 -3.944 -7.463 7.750 1.00 13.45 C ATOM 576 CG LEU A 37 -3.609 -5.958 7.953 1.00 1.04 C ATOM 577 CD1 LEU A 37 -2.854 -5.397 6.744 1.00 1.22 C ATOM 578 CD2 LEU A 37 -4.891 -5.136 8.243 1.00 53.43 C ATOM 0 H LEU A 37 -2.579 -8.287 9.754 1.00 32.23 H new ATOM 0 HA LEU A 37 -5.421 -7.605 9.328 1.00 30.31 H new ATOM 0 HB2 LEU A 37 -3.033 -7.988 7.462 1.00 13.45 H new ATOM 0 HB3 LEU A 37 -4.642 -7.556 6.918 1.00 13.45 H new ATOM 0 HG LEU A 37 -2.957 -5.873 8.822 1.00 1.04 H new ATOM 0 HD11 LEU A 37 -2.632 -4.343 6.911 1.00 1.22 H new ATOM 0 HD12 LEU A 37 -1.923 -5.947 6.609 1.00 1.22 H new ATOM 0 HD13 LEU A 37 -3.470 -5.501 5.850 1.00 1.22 H new ATOM 0 HD21 LEU A 37 -4.627 -4.087 8.381 1.00 53.43 H new ATOM 0 HD22 LEU A 37 -5.581 -5.230 7.404 1.00 53.43 H new ATOM 0 HD23 LEU A 37 -5.367 -5.512 9.148 1.00 53.43 H new ATOM 590 N THR A 38 -5.275 -10.404 9.685 1.00 21.03 N ATOM 591 CA THR A 38 -5.644 -11.838 9.576 1.00 52.14 C ATOM 592 C THR A 38 -6.851 -12.100 8.633 1.00 63.44 C ATOM 593 O THR A 38 -6.886 -13.113 7.931 1.00 73.04 O ATOM 594 CB THR A 38 -5.943 -12.443 10.996 1.00 53.10 C ATOM 595 OG1 THR A 38 -6.344 -13.820 10.882 1.00 1.14 O ATOM 596 CG2 THR A 38 -7.030 -11.659 11.761 1.00 35.31 C ATOM 0 H THR A 38 -5.204 -10.085 10.651 1.00 21.03 H new ATOM 0 HA THR A 38 -4.781 -12.334 9.132 1.00 52.14 H new ATOM 0 HB THR A 38 -5.016 -12.368 11.565 1.00 53.10 H new ATOM 0 HG1 THR A 38 -6.525 -14.183 11.774 1.00 1.14 H new ATOM 0 HG21 THR A 38 -7.195 -12.121 12.734 1.00 35.31 H new ATOM 0 HG22 THR A 38 -6.705 -10.628 11.900 1.00 35.31 H new ATOM 0 HG23 THR A 38 -7.959 -11.673 11.190 1.00 35.31 H new ATOM 604 N SER A 39 -7.816 -11.159 8.618 1.00 12.53 N ATOM 605 CA SER A 39 -9.019 -11.246 7.756 1.00 23.24 C ATOM 606 C SER A 39 -8.656 -11.086 6.259 1.00 53.54 C ATOM 607 O SER A 39 -9.035 -11.918 5.426 1.00 24.23 O ATOM 608 CB SER A 39 -10.055 -10.173 8.171 1.00 25.51 C ATOM 609 OG SER A 39 -11.269 -10.304 7.441 1.00 14.34 O ATOM 0 H SER A 39 -7.787 -10.321 9.198 1.00 12.53 H new ATOM 0 HA SER A 39 -9.455 -12.236 7.892 1.00 23.24 H new ATOM 0 HB2 SER A 39 -10.261 -10.259 9.238 1.00 25.51 H new ATOM 0 HB3 SER A 39 -9.637 -9.180 8.006 1.00 25.51 H new ATOM 0 HG SER A 39 -11.900 -9.612 7.729 1.00 14.34 H new ATOM 615 N ALA A 40 -7.880 -10.026 5.943 1.00 32.51 N ATOM 616 CA ALA A 40 -7.429 -9.718 4.557 1.00 74.44 C ATOM 617 C ALA A 40 -6.453 -10.794 4.012 1.00 52.34 C ATOM 618 O ALA A 40 -6.441 -11.098 2.815 1.00 34.14 O ATOM 619 CB ALA A 40 -6.768 -8.329 4.519 1.00 63.11 C ATOM 0 H ALA A 40 -7.546 -9.357 6.637 1.00 32.51 H new ATOM 0 HA ALA A 40 -8.308 -9.721 3.912 1.00 74.44 H new ATOM 0 HB1 ALA A 40 -6.440 -8.110 3.503 1.00 63.11 H new ATOM 0 HB2 ALA A 40 -7.487 -7.575 4.839 1.00 63.11 H new ATOM 0 HB3 ALA A 40 -5.908 -8.317 5.188 1.00 63.11 H new ATOM 625 N GLU A 41 -5.631 -11.343 4.916 1.00 51.24 N ATOM 626 CA GLU A 41 -4.690 -12.444 4.623 1.00 65.21 C ATOM 627 C GLU A 41 -5.415 -13.763 4.296 1.00 74.24 C ATOM 628 O GLU A 41 -4.964 -14.522 3.438 1.00 52.54 O ATOM 629 CB GLU A 41 -3.759 -12.644 5.829 1.00 52.42 C ATOM 630 CG GLU A 41 -2.798 -11.472 6.080 1.00 42.14 C ATOM 631 CD GLU A 41 -1.993 -11.612 7.372 1.00 2.33 C ATOM 632 OE1 GLU A 41 -1.411 -12.696 7.605 1.00 34.21 O ATOM 633 OE2 GLU A 41 -1.964 -10.650 8.166 1.00 22.02 O ATOM 0 H GLU A 41 -5.597 -11.034 5.887 1.00 51.24 H new ATOM 0 HA GLU A 41 -4.115 -12.167 3.739 1.00 65.21 H new ATOM 0 HB2 GLU A 41 -4.366 -12.800 6.721 1.00 52.42 H new ATOM 0 HB3 GLU A 41 -3.176 -13.552 5.678 1.00 52.42 H new ATOM 0 HG2 GLU A 41 -2.110 -11.390 5.239 1.00 42.14 H new ATOM 0 HG3 GLU A 41 -3.370 -10.545 6.116 1.00 42.14 H new ATOM 640 N SER A 42 -6.527 -14.035 5.008 1.00 15.40 N ATOM 641 CA SER A 42 -7.417 -15.185 4.705 1.00 24.23 C ATOM 642 C SER A 42 -8.008 -15.065 3.280 1.00 41.42 C ATOM 643 O SER A 42 -8.211 -16.073 2.596 1.00 11.51 O ATOM 644 CB SER A 42 -8.556 -15.297 5.753 1.00 62.25 C ATOM 645 OG SER A 42 -8.034 -15.552 7.048 1.00 12.54 O ATOM 0 H SER A 42 -6.835 -13.473 5.802 1.00 15.40 H new ATOM 0 HA SER A 42 -6.815 -16.093 4.753 1.00 24.23 H new ATOM 0 HB2 SER A 42 -9.135 -14.373 5.766 1.00 62.25 H new ATOM 0 HB3 SER A 42 -9.239 -16.097 5.469 1.00 62.25 H new ATOM 0 HG SER A 42 -7.636 -14.732 7.407 1.00 12.54 H new ATOM 651 N LEU A 43 -8.261 -13.814 2.847 1.00 31.14 N ATOM 652 CA LEU A 43 -8.752 -13.508 1.486 1.00 32.30 C ATOM 653 C LEU A 43 -7.635 -13.665 0.417 1.00 10.43 C ATOM 654 O LEU A 43 -7.894 -14.145 -0.680 1.00 54.33 O ATOM 655 CB LEU A 43 -9.336 -12.070 1.434 1.00 42.52 C ATOM 656 CG LEU A 43 -10.475 -11.750 2.454 1.00 1.15 C ATOM 657 CD1 LEU A 43 -10.961 -10.289 2.315 1.00 41.02 C ATOM 658 CD2 LEU A 43 -11.645 -12.756 2.333 1.00 64.21 C ATOM 0 H LEU A 43 -8.131 -12.987 3.430 1.00 31.14 H new ATOM 0 HA LEU A 43 -9.537 -14.227 1.254 1.00 32.30 H new ATOM 0 HB2 LEU A 43 -8.522 -11.364 1.597 1.00 42.52 H new ATOM 0 HB3 LEU A 43 -9.717 -11.891 0.428 1.00 42.52 H new ATOM 0 HG LEU A 43 -10.059 -11.860 3.455 1.00 1.15 H new ATOM 0 HD11 LEU A 43 -11.754 -10.099 3.039 1.00 41.02 H new ATOM 0 HD12 LEU A 43 -10.129 -9.610 2.501 1.00 41.02 H new ATOM 0 HD13 LEU A 43 -11.343 -10.127 1.307 1.00 41.02 H new ATOM 0 HD21 LEU A 43 -12.419 -12.503 3.058 1.00 64.21 H new ATOM 0 HD22 LEU A 43 -12.061 -12.711 1.327 1.00 64.21 H new ATOM 0 HD23 LEU A 43 -11.280 -13.764 2.530 1.00 64.21 H new ATOM 670 N LEU A 44 -6.394 -13.245 0.741 1.00 2.22 N ATOM 671 CA LEU A 44 -5.251 -13.325 -0.210 1.00 52.21 C ATOM 672 C LEU A 44 -4.811 -14.796 -0.431 1.00 54.11 C ATOM 673 O LEU A 44 -4.636 -15.244 -1.571 1.00 42.11 O ATOM 674 CB LEU A 44 -4.051 -12.461 0.277 1.00 4.02 C ATOM 675 CG LEU A 44 -2.862 -12.326 -0.738 1.00 23.24 C ATOM 676 CD1 LEU A 44 -3.308 -11.643 -2.054 1.00 75.31 C ATOM 677 CD2 LEU A 44 -1.653 -11.597 -0.107 1.00 72.14 C ATOM 0 H LEU A 44 -6.152 -12.848 1.649 1.00 2.22 H new ATOM 0 HA LEU A 44 -5.590 -12.924 -1.165 1.00 52.21 H new ATOM 0 HB2 LEU A 44 -4.418 -11.463 0.516 1.00 4.02 H new ATOM 0 HB3 LEU A 44 -3.669 -12.890 1.203 1.00 4.02 H new ATOM 0 HG LEU A 44 -2.539 -13.337 -0.989 1.00 23.24 H new ATOM 0 HD11 LEU A 44 -2.457 -11.568 -2.731 1.00 75.31 H new ATOM 0 HD12 LEU A 44 -4.094 -12.235 -2.523 1.00 75.31 H new ATOM 0 HD13 LEU A 44 -3.687 -10.645 -1.835 1.00 75.31 H new ATOM 0 HD21 LEU A 44 -0.850 -11.523 -0.840 1.00 72.14 H new ATOM 0 HD22 LEU A 44 -1.953 -10.597 0.205 1.00 72.14 H new ATOM 0 HD23 LEU A 44 -1.302 -12.157 0.760 1.00 72.14 H new ATOM 689 N ARG A 45 -4.655 -15.538 0.686 1.00 50.32 N ATOM 690 CA ARG A 45 -4.339 -16.987 0.667 1.00 34.15 C ATOM 691 C ARG A 45 -5.505 -17.830 0.091 1.00 53.31 C ATOM 692 O ARG A 45 -5.274 -18.880 -0.519 1.00 11.11 O ATOM 693 CB ARG A 45 -3.952 -17.485 2.091 1.00 43.04 C ATOM 694 CG ARG A 45 -2.626 -16.892 2.628 1.00 70.25 C ATOM 695 CD ARG A 45 -2.248 -17.409 4.028 1.00 75.12 C ATOM 696 NE ARG A 45 -3.233 -17.011 5.049 1.00 3.13 N ATOM 697 CZ ARG A 45 -3.025 -16.167 6.038 1.00 63.20 C ATOM 698 NH1 ARG A 45 -1.871 -15.600 6.229 1.00 1.43 N ATOM 699 NH2 ARG A 45 -3.996 -15.888 6.834 1.00 62.31 N ATOM 0 H ARG A 45 -4.744 -15.153 1.626 1.00 50.32 H new ATOM 0 HA ARG A 45 -3.484 -17.122 0.005 1.00 34.15 H new ATOM 0 HB2 ARG A 45 -4.756 -17.235 2.783 1.00 43.04 H new ATOM 0 HB3 ARG A 45 -3.872 -18.572 2.075 1.00 43.04 H new ATOM 0 HG2 ARG A 45 -1.822 -17.130 1.932 1.00 70.25 H new ATOM 0 HG3 ARG A 45 -2.709 -15.806 2.660 1.00 70.25 H new ATOM 0 HD2 ARG A 45 -2.170 -18.496 4.004 1.00 75.12 H new ATOM 0 HD3 ARG A 45 -1.266 -17.025 4.303 1.00 75.12 H new ATOM 0 HE ARG A 45 -4.162 -17.428 4.984 1.00 3.13 H new ATOM 0 HH11 ARG A 45 -1.092 -15.804 5.603 1.00 1.43 H new ATOM 0 HH12 ARG A 45 -1.744 -14.951 7.005 1.00 1.43 H new ATOM 0 HH21 ARG A 45 -4.910 -16.319 6.694 1.00 62.31 H new ATOM 0 HH22 ARG A 45 -3.852 -15.236 7.605 1.00 62.31 H new ATOM 713 N GLY A 46 -6.750 -17.351 0.288 1.00 53.34 N ATOM 714 CA GLY A 46 -7.947 -18.010 -0.266 1.00 20.25 C ATOM 715 C GLY A 46 -8.238 -17.651 -1.733 1.00 23.51 C ATOM 716 O GLY A 46 -9.165 -18.205 -2.329 1.00 15.24 O ATOM 0 H GLY A 46 -6.951 -16.509 0.827 1.00 53.34 H new ATOM 0 HA2 GLY A 46 -7.825 -19.090 -0.185 1.00 20.25 H new ATOM 0 HA3 GLY A 46 -8.811 -17.740 0.341 1.00 20.25 H new ATOM 720 N GLY A 47 -7.438 -16.723 -2.311 1.00 10.13 N ATOM 721 CA GLY A 47 -7.600 -16.289 -3.718 1.00 44.02 C ATOM 722 C GLY A 47 -8.800 -15.360 -3.975 1.00 64.20 C ATOM 723 O GLY A 47 -9.176 -15.131 -5.130 1.00 5.43 O ATOM 0 H GLY A 47 -6.672 -16.260 -1.822 1.00 10.13 H new ATOM 0 HA2 GLY A 47 -6.690 -15.778 -4.033 1.00 44.02 H new ATOM 0 HA3 GLY A 47 -7.703 -17.174 -4.346 1.00 44.02 H new ATOM 727 N GLU A 48 -9.392 -14.828 -2.893 1.00 42.23 N ATOM 728 CA GLU A 48 -10.571 -13.933 -2.954 1.00 22.41 C ATOM 729 C GLU A 48 -10.193 -12.496 -3.391 1.00 31.14 C ATOM 730 O GLU A 48 -11.004 -11.802 -4.012 1.00 10.21 O ATOM 731 CB GLU A 48 -11.289 -13.902 -1.579 1.00 1.24 C ATOM 732 CG GLU A 48 -11.668 -15.289 -1.021 1.00 33.21 C ATOM 733 CD GLU A 48 -12.582 -16.097 -1.961 1.00 52.22 C ATOM 734 OE1 GLU A 48 -13.794 -15.809 -2.016 1.00 2.11 O ATOM 735 OE2 GLU A 48 -12.088 -17.012 -2.662 1.00 22.43 O ATOM 0 H GLU A 48 -9.067 -15.005 -1.942 1.00 42.23 H new ATOM 0 HA GLU A 48 -11.246 -14.335 -3.709 1.00 22.41 H new ATOM 0 HB2 GLU A 48 -10.644 -13.399 -0.858 1.00 1.24 H new ATOM 0 HB3 GLU A 48 -12.194 -13.302 -1.670 1.00 1.24 H new ATOM 0 HG2 GLU A 48 -10.758 -15.858 -0.834 1.00 33.21 H new ATOM 0 HG3 GLU A 48 -12.168 -15.162 -0.061 1.00 33.21 H new ATOM 742 N ILE A 49 -8.969 -12.046 -3.044 1.00 43.23 N ATOM 743 CA ILE A 49 -8.422 -10.735 -3.487 1.00 21.43 C ATOM 744 C ILE A 49 -7.045 -10.921 -4.172 1.00 20.03 C ATOM 745 O ILE A 49 -6.381 -11.956 -4.004 1.00 3.23 O ATOM 746 CB ILE A 49 -8.281 -9.696 -2.297 1.00 0.21 C ATOM 747 CG1 ILE A 49 -7.269 -10.206 -1.209 1.00 3.53 C ATOM 748 CG2 ILE A 49 -9.668 -9.366 -1.676 1.00 32.11 C ATOM 749 CD1 ILE A 49 -7.023 -9.242 -0.056 1.00 1.22 C ATOM 0 H ILE A 49 -8.330 -12.575 -2.451 1.00 43.23 H new ATOM 0 HA ILE A 49 -9.140 -10.328 -4.199 1.00 21.43 H new ATOM 0 HB ILE A 49 -7.876 -8.772 -2.708 1.00 0.21 H new ATOM 0 HG12 ILE A 49 -7.639 -11.147 -0.803 1.00 3.53 H new ATOM 0 HG13 ILE A 49 -6.316 -10.421 -1.693 1.00 3.53 H new ATOM 0 HG21 ILE A 49 -9.542 -8.651 -0.863 1.00 32.11 H new ATOM 0 HG22 ILE A 49 -10.316 -8.936 -2.440 1.00 32.11 H new ATOM 0 HG23 ILE A 49 -10.120 -10.279 -1.290 1.00 32.11 H new ATOM 0 HD11 ILE A 49 -6.311 -9.683 0.642 1.00 1.22 H new ATOM 0 HD12 ILE A 49 -6.619 -8.307 -0.444 1.00 1.22 H new ATOM 0 HD13 ILE A 49 -7.963 -9.045 0.460 1.00 1.22 H new ATOM 761 N SER A 50 -6.641 -9.912 -4.963 1.00 2.31 N ATOM 762 CA SER A 50 -5.295 -9.842 -5.577 1.00 43.43 C ATOM 763 C SER A 50 -4.307 -9.126 -4.633 1.00 14.35 C ATOM 764 O SER A 50 -4.722 -8.449 -3.681 1.00 74.34 O ATOM 765 CB SER A 50 -5.356 -9.123 -6.951 1.00 42.33 C ATOM 766 OG SER A 50 -6.174 -9.836 -7.869 1.00 12.51 O ATOM 0 H SER A 50 -7.237 -9.118 -5.198 1.00 2.31 H new ATOM 0 HA SER A 50 -4.939 -10.859 -5.740 1.00 43.43 H new ATOM 0 HB2 SER A 50 -5.747 -8.114 -6.819 1.00 42.33 H new ATOM 0 HB3 SER A 50 -4.350 -9.024 -7.358 1.00 42.33 H new ATOM 0 HG SER A 50 -5.769 -9.804 -8.761 1.00 12.51 H new ATOM 772 N VAL A 51 -3.000 -9.289 -4.916 1.00 75.13 N ATOM 773 CA VAL A 51 -1.891 -8.670 -4.134 1.00 14.13 C ATOM 774 C VAL A 51 -2.059 -7.139 -4.027 1.00 15.31 C ATOM 775 O VAL A 51 -1.937 -6.577 -2.945 1.00 32.34 O ATOM 776 CB VAL A 51 -0.503 -9.001 -4.790 1.00 21.52 C ATOM 777 CG1 VAL A 51 0.680 -8.301 -4.059 1.00 5.22 C ATOM 778 CG2 VAL A 51 -0.289 -10.534 -4.864 1.00 72.31 C ATOM 0 H VAL A 51 -2.673 -9.857 -5.698 1.00 75.13 H new ATOM 0 HA VAL A 51 -1.927 -9.091 -3.129 1.00 14.13 H new ATOM 0 HB VAL A 51 -0.520 -8.603 -5.805 1.00 21.52 H new ATOM 0 HG11 VAL A 51 1.617 -8.562 -4.551 1.00 5.22 H new ATOM 0 HG12 VAL A 51 0.541 -7.220 -4.093 1.00 5.22 H new ATOM 0 HG13 VAL A 51 0.712 -8.630 -3.020 1.00 5.22 H new ATOM 0 HG21 VAL A 51 0.678 -10.745 -5.321 1.00 72.31 H new ATOM 0 HG22 VAL A 51 -0.314 -10.954 -3.858 1.00 72.31 H new ATOM 0 HG23 VAL A 51 -1.080 -10.983 -5.464 1.00 72.31 H new ATOM 788 N ARG A 52 -2.375 -6.515 -5.172 1.00 55.11 N ATOM 789 CA ARG A 52 -2.680 -5.069 -5.299 1.00 52.22 C ATOM 790 C ARG A 52 -3.718 -4.588 -4.248 1.00 72.04 C ATOM 791 O ARG A 52 -3.491 -3.626 -3.509 1.00 52.23 O ATOM 792 CB ARG A 52 -3.237 -4.842 -6.728 1.00 63.30 C ATOM 793 CG ARG A 52 -3.833 -3.447 -7.016 1.00 74.03 C ATOM 794 CD ARG A 52 -4.610 -3.408 -8.335 1.00 24.00 C ATOM 795 NE ARG A 52 -5.714 -4.384 -8.316 1.00 34.12 N ATOM 796 CZ ARG A 52 -6.742 -4.395 -9.131 1.00 44.11 C ATOM 797 NH1 ARG A 52 -6.852 -3.530 -10.090 1.00 34.41 N ATOM 798 NH2 ARG A 52 -7.666 -5.275 -8.961 1.00 44.22 N ATOM 0 H ARG A 52 -2.429 -7.009 -6.063 1.00 55.11 H new ATOM 0 HA ARG A 52 -1.770 -4.495 -5.122 1.00 52.22 H new ATOM 0 HB2 ARG A 52 -2.433 -5.025 -7.441 1.00 63.30 H new ATOM 0 HB3 ARG A 52 -4.008 -5.589 -6.918 1.00 63.30 H new ATOM 0 HG2 ARG A 52 -4.495 -3.161 -6.198 1.00 74.03 H new ATOM 0 HG3 ARG A 52 -3.030 -2.711 -7.048 1.00 74.03 H new ATOM 0 HD2 ARG A 52 -5.006 -2.406 -8.500 1.00 24.00 H new ATOM 0 HD3 ARG A 52 -3.939 -3.626 -9.165 1.00 24.00 H new ATOM 0 HE ARG A 52 -5.675 -5.116 -7.606 1.00 34.12 H new ATOM 0 HH11 ARG A 52 -6.130 -2.822 -10.223 1.00 34.41 H new ATOM 0 HH12 ARG A 52 -7.660 -3.558 -10.712 1.00 34.41 H new ATOM 0 HH21 ARG A 52 -7.593 -5.951 -8.201 1.00 44.22 H new ATOM 0 HH22 ARG A 52 -8.471 -5.296 -9.586 1.00 44.22 H new ATOM 812 N ASP A 53 -4.847 -5.303 -4.194 1.00 74.24 N ATOM 813 CA ASP A 53 -5.983 -4.984 -3.305 1.00 1.04 C ATOM 814 C ASP A 53 -5.663 -5.299 -1.823 1.00 41.50 C ATOM 815 O ASP A 53 -6.272 -4.724 -0.913 1.00 3.12 O ATOM 816 CB ASP A 53 -7.226 -5.754 -3.790 1.00 11.45 C ATOM 817 CG ASP A 53 -7.535 -5.443 -5.263 1.00 60.42 C ATOM 818 OD1 ASP A 53 -6.976 -6.129 -6.157 1.00 22.40 O ATOM 819 OD2 ASP A 53 -8.305 -4.494 -5.535 1.00 0.32 O ATOM 0 H ASP A 53 -5.005 -6.130 -4.770 1.00 74.24 H new ATOM 0 HA ASP A 53 -6.180 -3.913 -3.352 1.00 1.04 H new ATOM 0 HB2 ASP A 53 -7.064 -6.825 -3.668 1.00 11.45 H new ATOM 0 HB3 ASP A 53 -8.084 -5.490 -3.172 1.00 11.45 H new ATOM 824 N PHE A 54 -4.713 -6.228 -1.599 1.00 54.33 N ATOM 825 CA PHE A 54 -4.171 -6.514 -0.255 1.00 50.32 C ATOM 826 C PHE A 54 -3.299 -5.334 0.256 1.00 20.42 C ATOM 827 O PHE A 54 -3.360 -4.985 1.441 1.00 72.31 O ATOM 828 CB PHE A 54 -3.358 -7.838 -0.266 1.00 33.13 C ATOM 829 CG PHE A 54 -2.775 -8.224 1.098 1.00 14.23 C ATOM 830 CD1 PHE A 54 -3.600 -8.694 2.119 1.00 71.11 C ATOM 831 CD2 PHE A 54 -1.404 -8.100 1.363 1.00 20.13 C ATOM 832 CE1 PHE A 54 -3.080 -9.029 3.352 1.00 51.24 C ATOM 833 CE2 PHE A 54 -0.888 -8.439 2.599 1.00 52.54 C ATOM 834 CZ PHE A 54 -1.727 -8.901 3.592 1.00 55.43 C ATOM 0 H PHE A 54 -4.302 -6.798 -2.338 1.00 54.33 H new ATOM 0 HA PHE A 54 -5.009 -6.632 0.432 1.00 50.32 H new ATOM 0 HB2 PHE A 54 -4.002 -8.645 -0.616 1.00 33.13 H new ATOM 0 HB3 PHE A 54 -2.544 -7.746 -0.985 1.00 33.13 H new ATOM 0 HD1 PHE A 54 -4.660 -8.797 1.942 1.00 71.11 H new ATOM 0 HD2 PHE A 54 -0.743 -7.735 0.591 1.00 20.13 H new ATOM 0 HE1 PHE A 54 -3.733 -9.392 4.131 1.00 51.24 H new ATOM 0 HE2 PHE A 54 0.171 -8.342 2.788 1.00 52.54 H new ATOM 0 HZ PHE A 54 -1.324 -9.163 4.559 1.00 55.43 H new ATOM 844 N VAL A 55 -2.507 -4.716 -0.656 1.00 43.14 N ATOM 845 CA VAL A 55 -1.648 -3.541 -0.331 1.00 41.11 C ATOM 846 C VAL A 55 -2.504 -2.348 0.159 1.00 15.14 C ATOM 847 O VAL A 55 -2.078 -1.579 1.030 1.00 74.34 O ATOM 848 CB VAL A 55 -0.772 -3.083 -1.560 1.00 24.25 C ATOM 849 CG1 VAL A 55 0.183 -1.924 -1.174 1.00 55.10 C ATOM 850 CG2 VAL A 55 0.020 -4.266 -2.159 1.00 52.43 C ATOM 0 H VAL A 55 -2.443 -5.012 -1.630 1.00 43.14 H new ATOM 0 HA VAL A 55 -0.977 -3.861 0.466 1.00 41.11 H new ATOM 0 HB VAL A 55 -1.456 -2.714 -2.324 1.00 24.25 H new ATOM 0 HG11 VAL A 55 0.772 -1.633 -2.044 1.00 55.10 H new ATOM 0 HG12 VAL A 55 -0.401 -1.071 -0.829 1.00 55.10 H new ATOM 0 HG13 VAL A 55 0.851 -2.253 -0.377 1.00 55.10 H new ATOM 0 HG21 VAL A 55 0.613 -3.916 -3.004 1.00 52.43 H new ATOM 0 HG22 VAL A 55 0.681 -4.683 -1.399 1.00 52.43 H new ATOM 0 HG23 VAL A 55 -0.675 -5.035 -2.497 1.00 52.43 H new ATOM 860 N ARG A 56 -3.719 -2.228 -0.416 1.00 12.43 N ATOM 861 CA ARG A 56 -4.744 -1.258 0.028 1.00 25.12 C ATOM 862 C ARG A 56 -5.027 -1.414 1.541 1.00 71.34 C ATOM 863 O ARG A 56 -4.960 -0.448 2.293 1.00 64.52 O ATOM 864 CB ARG A 56 -6.060 -1.480 -0.762 1.00 42.45 C ATOM 865 CG ARG A 56 -7.138 -0.386 -0.559 1.00 21.13 C ATOM 866 CD ARG A 56 -8.544 -0.838 -1.009 1.00 12.12 C ATOM 867 NE ARG A 56 -8.538 -1.496 -2.335 1.00 73.33 N ATOM 868 CZ ARG A 56 -8.916 -0.951 -3.473 1.00 3.34 C ATOM 869 NH1 ARG A 56 -9.252 0.299 -3.552 1.00 43.11 N ATOM 870 NH2 ARG A 56 -8.927 -1.670 -4.543 1.00 22.33 N ATOM 0 H ARG A 56 -4.018 -2.803 -1.204 1.00 12.43 H new ATOM 0 HA ARG A 56 -4.366 -0.253 -0.160 1.00 25.12 H new ATOM 0 HB2 ARG A 56 -5.822 -1.542 -1.824 1.00 42.45 H new ATOM 0 HB3 ARG A 56 -6.482 -2.443 -0.473 1.00 42.45 H new ATOM 0 HG2 ARG A 56 -7.171 -0.107 0.494 1.00 21.13 H new ATOM 0 HG3 ARG A 56 -6.853 0.506 -1.117 1.00 21.13 H new ATOM 0 HD2 ARG A 56 -8.954 -1.526 -0.269 1.00 12.12 H new ATOM 0 HD3 ARG A 56 -9.206 0.027 -1.041 1.00 12.12 H new ATOM 0 HE ARG A 56 -8.211 -2.461 -2.371 1.00 73.33 H new ATOM 0 HH11 ARG A 56 -9.228 0.887 -2.719 1.00 43.11 H new ATOM 0 HH12 ARG A 56 -9.541 0.694 -4.447 1.00 43.11 H new ATOM 0 HH21 ARG A 56 -8.645 -2.649 -4.502 1.00 22.33 H new ATOM 0 HH22 ARG A 56 -9.218 -1.259 -5.430 1.00 22.33 H new ATOM 884 N ALA A 57 -5.304 -2.669 1.961 1.00 10.53 N ATOM 885 CA ALA A 57 -5.616 -3.013 3.369 1.00 20.11 C ATOM 886 C ALA A 57 -4.441 -2.699 4.333 1.00 53.12 C ATOM 887 O ALA A 57 -4.667 -2.309 5.484 1.00 30.22 O ATOM 888 CB ALA A 57 -6.011 -4.497 3.472 1.00 11.23 C ATOM 0 H ALA A 57 -5.318 -3.473 1.334 1.00 10.53 H new ATOM 0 HA ALA A 57 -6.454 -2.388 3.677 1.00 20.11 H new ATOM 0 HB1 ALA A 57 -6.239 -4.742 4.509 1.00 11.23 H new ATOM 0 HB2 ALA A 57 -6.889 -4.683 2.854 1.00 11.23 H new ATOM 0 HB3 ALA A 57 -5.185 -5.118 3.126 1.00 11.23 H new ATOM 894 N VAL A 58 -3.190 -2.874 3.854 1.00 32.12 N ATOM 895 CA VAL A 58 -1.968 -2.613 4.664 1.00 4.15 C ATOM 896 C VAL A 58 -1.705 -1.091 4.809 1.00 44.41 C ATOM 897 O VAL A 58 -1.291 -0.617 5.869 1.00 14.45 O ATOM 898 CB VAL A 58 -0.697 -3.340 4.066 1.00 64.44 C ATOM 899 CG1 VAL A 58 0.513 -3.279 5.042 1.00 65.23 C ATOM 900 CG2 VAL A 58 -1.020 -4.808 3.690 1.00 32.03 C ATOM 0 H VAL A 58 -2.994 -3.196 2.906 1.00 32.12 H new ATOM 0 HA VAL A 58 -2.151 -3.027 5.656 1.00 4.15 H new ATOM 0 HB VAL A 58 -0.418 -2.806 3.158 1.00 64.44 H new ATOM 0 HG11 VAL A 58 1.367 -3.789 4.596 1.00 65.23 H new ATOM 0 HG12 VAL A 58 0.773 -2.238 5.235 1.00 65.23 H new ATOM 0 HG13 VAL A 58 0.249 -3.767 5.980 1.00 65.23 H new ATOM 0 HG21 VAL A 58 -0.128 -5.284 3.281 1.00 32.03 H new ATOM 0 HG22 VAL A 58 -1.344 -5.348 4.579 1.00 32.03 H new ATOM 0 HG23 VAL A 58 -1.815 -4.826 2.944 1.00 32.03 H new ATOM 910 N ALA A 59 -1.960 -0.341 3.727 1.00 64.40 N ATOM 911 CA ALA A 59 -1.839 1.135 3.716 1.00 13.11 C ATOM 912 C ALA A 59 -2.967 1.830 4.532 1.00 44.53 C ATOM 913 O ALA A 59 -2.765 2.917 5.084 1.00 3.22 O ATOM 914 CB ALA A 59 -1.820 1.643 2.266 1.00 3.32 C ATOM 0 H ALA A 59 -2.256 -0.734 2.833 1.00 64.40 H new ATOM 0 HA ALA A 59 -0.899 1.395 4.203 1.00 13.11 H new ATOM 0 HB1 ALA A 59 -1.731 2.729 2.262 1.00 3.32 H new ATOM 0 HB2 ALA A 59 -0.971 1.207 1.739 1.00 3.32 H new ATOM 0 HB3 ALA A 59 -2.745 1.353 1.767 1.00 3.32 H new ATOM 920 N LEU A 60 -4.156 1.188 4.595 1.00 3.14 N ATOM 921 CA LEU A 60 -5.325 1.702 5.361 1.00 4.32 C ATOM 922 C LEU A 60 -5.370 1.177 6.811 1.00 4.21 C ATOM 923 O LEU A 60 -6.164 1.676 7.617 1.00 54.53 O ATOM 924 CB LEU A 60 -6.652 1.339 4.632 1.00 44.34 C ATOM 925 CG LEU A 60 -6.839 1.968 3.216 1.00 51.22 C ATOM 926 CD1 LEU A 60 -8.212 1.600 2.606 1.00 42.25 C ATOM 927 CD2 LEU A 60 -6.621 3.493 3.263 1.00 14.12 C ATOM 0 H LEU A 60 -4.336 0.303 4.120 1.00 3.14 H new ATOM 0 HA LEU A 60 -5.211 2.785 5.411 1.00 4.32 H new ATOM 0 HB2 LEU A 60 -6.709 0.255 4.538 1.00 44.34 H new ATOM 0 HB3 LEU A 60 -7.487 1.649 5.260 1.00 44.34 H new ATOM 0 HG LEU A 60 -6.080 1.546 2.557 1.00 51.22 H new ATOM 0 HD11 LEU A 60 -8.306 2.056 1.620 1.00 42.25 H new ATOM 0 HD12 LEU A 60 -8.291 0.517 2.514 1.00 42.25 H new ATOM 0 HD13 LEU A 60 -9.008 1.968 3.253 1.00 42.25 H new ATOM 0 HD21 LEU A 60 -6.756 3.911 2.265 1.00 14.12 H new ATOM 0 HD22 LEU A 60 -7.342 3.943 3.946 1.00 14.12 H new ATOM 0 HD23 LEU A 60 -5.610 3.705 3.611 1.00 14.12 H new ATOM 939 N SER A 61 -4.520 0.177 7.137 1.00 31.01 N ATOM 940 CA SER A 61 -4.541 -0.505 8.460 1.00 33.30 C ATOM 941 C SER A 61 -4.271 0.472 9.624 1.00 44.13 C ATOM 942 O SER A 61 -3.540 1.461 9.466 1.00 24.53 O ATOM 943 CB SER A 61 -3.503 -1.659 8.523 1.00 3.52 C ATOM 944 OG SER A 61 -2.166 -1.185 8.616 1.00 2.21 O ATOM 0 H SER A 61 -3.806 -0.180 6.502 1.00 31.01 H new ATOM 0 HA SER A 61 -5.546 -0.913 8.570 1.00 33.30 H new ATOM 0 HB2 SER A 61 -3.721 -2.293 9.383 1.00 3.52 H new ATOM 0 HB3 SER A 61 -3.603 -2.282 7.634 1.00 3.52 H new ATOM 0 HG SER A 61 -1.828 -0.982 7.719 1.00 2.21 H new ATOM 950 N GLU A 62 -4.854 0.167 10.796 1.00 23.32 N ATOM 951 CA GLU A 62 -4.602 0.919 12.046 1.00 3.25 C ATOM 952 C GLU A 62 -3.127 0.761 12.472 1.00 61.34 C ATOM 953 O GLU A 62 -2.540 1.677 13.016 1.00 23.32 O ATOM 954 CB GLU A 62 -5.545 0.428 13.188 1.00 34.25 C ATOM 955 CG GLU A 62 -7.026 0.873 13.084 1.00 40.23 C ATOM 956 CD GLU A 62 -7.752 0.464 11.781 1.00 61.01 C ATOM 957 OE1 GLU A 62 -7.654 -0.717 11.374 1.00 13.23 O ATOM 958 OE2 GLU A 62 -8.415 1.323 11.156 1.00 72.41 O ATOM 0 H GLU A 62 -5.512 -0.605 10.908 1.00 23.32 H new ATOM 0 HA GLU A 62 -4.808 1.973 11.860 1.00 3.25 H new ATOM 0 HB2 GLU A 62 -5.515 -0.661 13.214 1.00 34.25 H new ATOM 0 HB3 GLU A 62 -5.146 0.781 14.139 1.00 34.25 H new ATOM 0 HG2 GLU A 62 -7.573 0.457 13.930 1.00 40.23 H new ATOM 0 HG3 GLU A 62 -7.069 1.958 13.179 1.00 40.23 H new ATOM 965 N LEU A 63 -2.548 -0.415 12.179 1.00 11.31 N ATOM 966 CA LEU A 63 -1.149 -0.751 12.523 1.00 72.31 C ATOM 967 C LEU A 63 -0.125 0.172 11.808 1.00 14.25 C ATOM 968 O LEU A 63 0.845 0.621 12.422 1.00 53.41 O ATOM 969 CB LEU A 63 -0.883 -2.238 12.172 1.00 72.25 C ATOM 970 CG LEU A 63 -1.778 -3.286 12.914 1.00 73.24 C ATOM 971 CD1 LEU A 63 -1.455 -4.725 12.454 1.00 44.41 C ATOM 972 CD2 LEU A 63 -1.651 -3.145 14.455 1.00 53.44 C ATOM 0 H LEU A 63 -3.037 -1.167 11.694 1.00 11.31 H new ATOM 0 HA LEU A 63 -1.015 -0.591 13.593 1.00 72.31 H new ATOM 0 HB2 LEU A 63 -1.019 -2.368 11.098 1.00 72.25 H new ATOM 0 HB3 LEU A 63 0.161 -2.462 12.390 1.00 72.25 H new ATOM 0 HG LEU A 63 -2.815 -3.080 12.649 1.00 73.24 H new ATOM 0 HD11 LEU A 63 -2.093 -5.429 12.988 1.00 44.41 H new ATOM 0 HD12 LEU A 63 -1.634 -4.813 11.382 1.00 44.41 H new ATOM 0 HD13 LEU A 63 -0.410 -4.949 12.667 1.00 44.41 H new ATOM 0 HD21 LEU A 63 -2.285 -3.887 14.942 1.00 53.44 H new ATOM 0 HD22 LEU A 63 -0.614 -3.304 14.751 1.00 53.44 H new ATOM 0 HD23 LEU A 63 -1.965 -2.146 14.756 1.00 53.44 H new ATOM 984 N TYR A 64 -0.342 0.427 10.504 1.00 4.30 N ATOM 985 CA TYR A 64 0.516 1.337 9.706 1.00 20.34 C ATOM 986 C TYR A 64 0.235 2.829 10.019 1.00 60.13 C ATOM 987 O TYR A 64 1.164 3.604 10.293 1.00 0.33 O ATOM 988 CB TYR A 64 0.335 1.054 8.187 1.00 24.55 C ATOM 989 CG TYR A 64 1.073 2.029 7.242 1.00 72.43 C ATOM 990 CD1 TYR A 64 2.443 2.276 7.379 1.00 33.12 C ATOM 991 CD2 TYR A 64 0.397 2.716 6.226 1.00 52.21 C ATOM 992 CE1 TYR A 64 3.101 3.160 6.544 1.00 54.22 C ATOM 993 CE2 TYR A 64 1.057 3.598 5.388 1.00 41.04 C ATOM 994 CZ TYR A 64 2.408 3.816 5.551 1.00 41.51 C ATOM 995 OH TYR A 64 3.072 4.696 4.718 1.00 11.13 O ATOM 0 H TYR A 64 -1.109 0.014 9.973 1.00 4.30 H new ATOM 0 HA TYR A 64 1.551 1.139 9.986 1.00 20.34 H new ATOM 0 HB2 TYR A 64 0.680 0.041 7.979 1.00 24.55 H new ATOM 0 HB3 TYR A 64 -0.729 1.083 7.953 1.00 24.55 H new ATOM 0 HD1 TYR A 64 2.998 1.766 8.153 1.00 33.12 H new ATOM 0 HD2 TYR A 64 -0.663 2.554 6.093 1.00 52.21 H new ATOM 0 HE1 TYR A 64 4.159 3.336 6.671 1.00 54.22 H new ATOM 0 HE2 TYR A 64 0.515 4.114 4.609 1.00 41.04 H new ATOM 0 HH TYR A 64 3.984 4.373 4.561 1.00 11.13 H new ATOM 1005 N ARG A 65 -1.049 3.221 9.966 1.00 10.01 N ATOM 1006 CA ARG A 65 -1.461 4.643 10.054 1.00 61.25 C ATOM 1007 C ARG A 65 -1.243 5.230 11.479 1.00 32.34 C ATOM 1008 O ARG A 65 -0.854 6.386 11.614 1.00 45.44 O ATOM 1009 CB ARG A 65 -2.929 4.800 9.555 1.00 43.34 C ATOM 1010 CG ARG A 65 -3.422 6.267 9.337 1.00 62.44 C ATOM 1011 CD ARG A 65 -4.136 6.874 10.566 1.00 22.23 C ATOM 1012 NE ARG A 65 -5.381 6.154 10.879 1.00 12.10 N ATOM 1013 CZ ARG A 65 -6.541 6.697 11.172 1.00 62.55 C ATOM 1014 NH1 ARG A 65 -6.699 7.976 11.215 1.00 13.53 N ATOM 1015 NH2 ARG A 65 -7.551 5.938 11.400 1.00 4.02 N ATOM 0 H ARG A 65 -1.829 2.572 9.862 1.00 10.01 H new ATOM 0 HA ARG A 65 -0.820 5.232 9.398 1.00 61.25 H new ATOM 0 HB2 ARG A 65 -3.033 4.259 8.615 1.00 43.34 H new ATOM 0 HB3 ARG A 65 -3.591 4.318 10.275 1.00 43.34 H new ATOM 0 HG2 ARG A 65 -2.568 6.893 9.079 1.00 62.44 H new ATOM 0 HG3 ARG A 65 -4.102 6.289 8.486 1.00 62.44 H new ATOM 0 HD2 ARG A 65 -3.469 6.841 11.428 1.00 22.23 H new ATOM 0 HD3 ARG A 65 -4.360 7.924 10.376 1.00 22.23 H new ATOM 0 HE ARG A 65 -5.339 5.135 10.867 1.00 12.10 H new ATOM 0 HH11 ARG A 65 -5.912 8.594 11.019 1.00 13.53 H new ATOM 0 HH12 ARG A 65 -7.611 8.370 11.445 1.00 13.53 H new ATOM 0 HH21 ARG A 65 -7.448 4.924 11.353 1.00 4.02 H new ATOM 0 HH22 ARG A 65 -8.456 6.349 11.628 1.00 4.02 H new ATOM 1029 N GLU A 66 -1.478 4.433 12.538 1.00 10.45 N ATOM 1030 CA GLU A 66 -1.173 4.855 13.938 1.00 63.42 C ATOM 1031 C GLU A 66 0.345 5.101 14.118 1.00 54.25 C ATOM 1032 O GLU A 66 0.771 6.089 14.722 1.00 42.04 O ATOM 1033 CB GLU A 66 -1.659 3.780 14.949 1.00 11.41 C ATOM 1034 CG GLU A 66 -1.539 4.157 16.445 1.00 62.23 C ATOM 1035 CD GLU A 66 -2.417 5.352 16.860 1.00 32.41 C ATOM 1036 OE1 GLU A 66 -3.618 5.375 16.496 1.00 64.02 O ATOM 1037 OE2 GLU A 66 -1.920 6.273 17.544 1.00 63.13 O ATOM 0 H GLU A 66 -1.876 3.497 12.463 1.00 10.45 H new ATOM 0 HA GLU A 66 -1.703 5.787 14.133 1.00 63.42 H new ATOM 0 HB2 GLU A 66 -2.703 3.552 14.734 1.00 11.41 H new ATOM 0 HB3 GLU A 66 -1.092 2.865 14.778 1.00 11.41 H new ATOM 0 HG2 GLU A 66 -1.810 3.292 17.050 1.00 62.23 H new ATOM 0 HG3 GLU A 66 -0.498 4.389 16.669 1.00 62.23 H new ATOM 1044 N LYS A 67 1.133 4.206 13.517 1.00 74.24 N ATOM 1045 CA LYS A 67 2.597 4.159 13.667 1.00 11.23 C ATOM 1046 C LYS A 67 3.304 5.343 12.946 1.00 62.41 C ATOM 1047 O LYS A 67 4.099 6.071 13.551 1.00 23.32 O ATOM 1048 CB LYS A 67 3.072 2.798 13.096 1.00 45.32 C ATOM 1049 CG LYS A 67 4.541 2.418 13.359 1.00 34.23 C ATOM 1050 CD LYS A 67 4.889 1.039 12.746 1.00 32.42 C ATOM 1051 CE LYS A 67 6.321 0.595 13.054 1.00 24.13 C ATOM 1052 NZ LYS A 67 6.532 0.355 14.503 1.00 34.25 N ATOM 0 H LYS A 67 0.769 3.479 12.901 1.00 74.24 H new ATOM 0 HA LYS A 67 2.861 4.255 14.720 1.00 11.23 H new ATOM 0 HB2 LYS A 67 2.437 2.014 13.510 1.00 45.32 H new ATOM 0 HB3 LYS A 67 2.909 2.804 12.018 1.00 45.32 H new ATOM 0 HG2 LYS A 67 5.196 3.180 12.938 1.00 34.23 H new ATOM 0 HG3 LYS A 67 4.726 2.397 14.433 1.00 34.23 H new ATOM 0 HD2 LYS A 67 4.192 0.292 13.126 1.00 32.42 H new ATOM 0 HD3 LYS A 67 4.752 1.082 11.666 1.00 32.42 H new ATOM 0 HE2 LYS A 67 6.544 -0.317 12.500 1.00 24.13 H new ATOM 0 HE3 LYS A 67 7.019 1.358 12.708 1.00 24.13 H new ATOM 0 HZ1 LYS A 67 7.469 -0.072 14.651 1.00 34.25 H new ATOM 0 HZ2 LYS A 67 6.478 1.258 15.016 1.00 34.25 H new ATOM 0 HZ3 LYS A 67 5.798 -0.290 14.859 1.00 34.25 H new ATOM 1066 N PHE A 68 2.966 5.552 11.659 1.00 40.33 N ATOM 1067 CA PHE A 68 3.667 6.526 10.779 1.00 54.02 C ATOM 1068 C PHE A 68 2.945 7.890 10.628 1.00 51.13 C ATOM 1069 O PHE A 68 3.554 8.831 10.120 1.00 74.11 O ATOM 1070 CB PHE A 68 3.927 5.896 9.380 1.00 61.43 C ATOM 1071 CG PHE A 68 5.091 4.906 9.352 1.00 52.12 C ATOM 1072 CD1 PHE A 68 4.904 3.559 9.651 1.00 4.12 C ATOM 1073 CD2 PHE A 68 6.380 5.338 9.033 1.00 55.30 C ATOM 1074 CE1 PHE A 68 5.966 2.678 9.630 1.00 43.23 C ATOM 1075 CE2 PHE A 68 7.439 4.455 9.012 1.00 30.00 C ATOM 1076 CZ PHE A 68 7.233 3.126 9.310 1.00 31.04 C ATOM 0 H PHE A 68 2.204 5.057 11.195 1.00 40.33 H new ATOM 0 HA PHE A 68 4.612 6.747 11.276 1.00 54.02 H new ATOM 0 HB2 PHE A 68 3.022 5.387 9.048 1.00 61.43 H new ATOM 0 HB3 PHE A 68 4.125 6.694 8.664 1.00 61.43 H new ATOM 0 HD1 PHE A 68 3.917 3.200 9.902 1.00 4.12 H new ATOM 0 HD2 PHE A 68 6.550 6.379 8.799 1.00 55.30 H new ATOM 0 HE1 PHE A 68 5.806 1.636 9.864 1.00 43.23 H new ATOM 0 HE2 PHE A 68 8.430 4.805 8.762 1.00 30.00 H new ATOM 0 HZ PHE A 68 8.062 2.434 9.293 1.00 31.04 H new ATOM 1086 N PHE A 69 1.647 7.998 10.973 1.00 53.44 N ATOM 1087 CA PHE A 69 0.954 9.320 10.984 1.00 22.31 C ATOM 1088 C PHE A 69 1.043 10.014 12.368 1.00 53.13 C ATOM 1089 O PHE A 69 1.326 11.205 12.439 1.00 44.35 O ATOM 1090 CB PHE A 69 -0.525 9.194 10.524 1.00 61.14 C ATOM 1091 CG PHE A 69 -1.319 10.507 10.564 1.00 30.31 C ATOM 1092 CD1 PHE A 69 -1.039 11.542 9.673 1.00 54.14 C ATOM 1093 CD2 PHE A 69 -2.335 10.711 11.504 1.00 25.02 C ATOM 1094 CE1 PHE A 69 -1.753 12.727 9.719 1.00 24.31 C ATOM 1095 CE2 PHE A 69 -3.043 11.898 11.542 1.00 2.23 C ATOM 1096 CZ PHE A 69 -2.751 12.905 10.650 1.00 32.34 C ATOM 0 H PHE A 69 1.060 7.209 11.244 1.00 53.44 H new ATOM 0 HA PHE A 69 1.478 9.952 10.267 1.00 22.31 H new ATOM 0 HB2 PHE A 69 -0.544 8.804 9.506 1.00 61.14 H new ATOM 0 HB3 PHE A 69 -1.027 8.461 11.155 1.00 61.14 H new ATOM 0 HD1 PHE A 69 -0.257 11.418 8.939 1.00 54.14 H new ATOM 0 HD2 PHE A 69 -2.570 9.929 12.211 1.00 25.02 H new ATOM 0 HE1 PHE A 69 -1.525 13.518 9.019 1.00 24.31 H new ATOM 0 HE2 PHE A 69 -3.826 12.035 12.273 1.00 2.23 H new ATOM 0 HZ PHE A 69 -3.304 13.832 10.681 1.00 32.34 H new ATOM 1106 N HIS A 70 0.799 9.271 13.464 1.00 12.43 N ATOM 1107 CA HIS A 70 0.661 9.881 14.821 1.00 50.23 C ATOM 1108 C HIS A 70 2.026 10.249 15.453 1.00 31.24 C ATOM 1109 O HIS A 70 2.139 11.267 16.140 1.00 24.10 O ATOM 1110 CB HIS A 70 -0.122 8.946 15.771 1.00 34.52 C ATOM 1111 CG HIS A 70 -1.565 8.735 15.399 1.00 54.11 C ATOM 1112 ND1 HIS A 70 -2.151 8.340 14.241 1.00 41.35 N flip ATOM 1113 CD2 HIS A 70 -2.594 8.897 16.300 1.00 60.14 C flip ATOM 1114 CE1 HIS A 70 -3.496 8.263 14.475 1.00 41.10 C flip ATOM 1115 NE2 HIS A 70 -3.733 8.604 15.722 1.00 63.54 N flip ATOM 0 H HIS A 70 0.693 8.257 13.449 1.00 12.43 H new ATOM 0 HA HIS A 70 0.103 10.807 14.684 1.00 50.23 H new ATOM 0 HB2 HIS A 70 0.377 7.977 15.798 1.00 34.52 H new ATOM 0 HB3 HIS A 70 -0.077 9.356 16.780 1.00 34.52 H new ATOM 0 HD2 HIS A 70 -2.480 9.216 17.325 1.00 60.14 H new ATOM 0 HE1 HIS A 70 -4.243 7.969 13.752 1.00 41.10 H new ATOM 0 HE2 HIS A 70 -4.651 8.635 16.166 1.00 63.54 H new ATOM 1124 N ASN A 71 3.057 9.416 15.214 1.00 52.23 N ATOM 1125 CA ASN A 71 4.427 9.632 15.778 1.00 2.12 C ATOM 1126 C ASN A 71 5.356 10.369 14.774 1.00 4.15 C ATOM 1127 O ASN A 71 6.572 10.449 14.976 1.00 52.40 O ATOM 1128 CB ASN A 71 5.047 8.268 16.202 1.00 20.34 C ATOM 1129 CG ASN A 71 4.352 7.591 17.401 1.00 72.42 C ATOM 1130 OD1 ASN A 71 3.032 7.672 17.501 1.00 14.51 O flip ATOM 1131 ND2 ASN A 71 5.000 6.957 18.221 1.00 75.31 N flip ATOM 0 H ASN A 71 2.978 8.581 14.633 1.00 52.23 H new ATOM 0 HA ASN A 71 4.332 10.271 16.656 1.00 2.12 H new ATOM 0 HB2 ASN A 71 5.015 7.589 15.350 1.00 20.34 H new ATOM 0 HB3 ASN A 71 6.098 8.422 16.448 1.00 20.34 H new ATOM 0 HD21 ASN A 71 6.015 6.901 18.136 1.00 75.31 H new ATOM 0 HD22 ASN A 71 4.526 6.484 18.991 1.00 75.31 H new ATOM 1138 N ASN A 72 4.753 10.933 13.719 1.00 25.14 N ATOM 1139 CA ASN A 72 5.480 11.579 12.602 1.00 34.34 C ATOM 1140 C ASN A 72 4.660 12.767 12.033 1.00 31.05 C ATOM 1141 O ASN A 72 3.440 12.821 12.194 1.00 34.40 O ATOM 1142 CB ASN A 72 5.757 10.509 11.511 1.00 11.23 C ATOM 1143 CG ASN A 72 6.542 10.997 10.295 1.00 43.25 C ATOM 1144 OD1 ASN A 72 7.411 11.856 10.398 1.00 23.12 O ATOM 1145 ND2 ASN A 72 6.238 10.451 9.132 1.00 11.11 N ATOM 0 H ASN A 72 3.739 10.957 13.610 1.00 25.14 H new ATOM 0 HA ASN A 72 6.428 11.984 12.957 1.00 34.34 H new ATOM 0 HB2 ASN A 72 6.304 9.684 11.967 1.00 11.23 H new ATOM 0 HB3 ASN A 72 4.803 10.109 11.169 1.00 11.23 H new ATOM 0 HD21 ASN A 72 6.731 10.742 8.288 1.00 11.11 H new ATOM 0 HD22 ASN A 72 5.510 9.738 9.078 1.00 11.11 H new ATOM 1152 N ALA A 73 5.350 13.725 11.391 1.00 72.12 N ATOM 1153 CA ALA A 73 4.702 14.848 10.682 1.00 42.04 C ATOM 1154 C ALA A 73 3.996 14.331 9.404 1.00 21.23 C ATOM 1155 O ALA A 73 4.554 13.487 8.705 1.00 65.42 O ATOM 1156 CB ALA A 73 5.744 15.928 10.340 1.00 3.05 C ATOM 0 H ALA A 73 6.369 13.745 11.347 1.00 72.12 H new ATOM 0 HA ALA A 73 3.949 15.296 11.330 1.00 42.04 H new ATOM 0 HB1 ALA A 73 5.257 16.751 9.818 1.00 3.05 H new ATOM 0 HB2 ALA A 73 6.198 16.299 11.259 1.00 3.05 H new ATOM 0 HB3 ALA A 73 6.516 15.499 9.701 1.00 3.05 H new ATOM 1162 N HIS A 74 2.772 14.831 9.115 1.00 22.23 N ATOM 1163 CA HIS A 74 1.947 14.347 7.971 1.00 30.42 C ATOM 1164 C HIS A 74 2.654 14.542 6.601 1.00 31.01 C ATOM 1165 O HIS A 74 2.541 13.687 5.715 1.00 23.45 O ATOM 1166 CB HIS A 74 0.561 15.039 7.965 1.00 40.12 C ATOM 1167 CG HIS A 74 -0.349 14.573 6.846 1.00 73.02 C ATOM 1168 ND1 HIS A 74 -1.065 15.457 6.086 1.00 22.53 N ATOM 1169 CD2 HIS A 74 -0.590 13.313 6.390 1.00 64.31 C ATOM 1170 CE1 HIS A 74 -1.708 14.731 5.199 1.00 12.34 C ATOM 1171 NE2 HIS A 74 -1.451 13.430 5.341 1.00 53.02 N ATOM 0 H HIS A 74 2.328 15.572 9.657 1.00 22.23 H new ATOM 0 HA HIS A 74 1.811 13.275 8.112 1.00 30.42 H new ATOM 0 HB2 HIS A 74 0.070 14.856 8.921 1.00 40.12 H new ATOM 0 HB3 HIS A 74 0.703 16.116 7.881 1.00 40.12 H new ATOM 0 HD2 HIS A 74 -0.177 12.396 6.785 1.00 64.31 H new ATOM 0 HE1 HIS A 74 -2.366 15.139 4.446 1.00 12.34 H new ATOM 0 HE2 HIS A 74 -1.826 12.670 4.774 1.00 53.02 H new ATOM 1179 N ASN A 75 3.376 15.663 6.449 1.00 1.03 N ATOM 1180 CA ASN A 75 4.184 15.945 5.236 1.00 4.12 C ATOM 1181 C ASN A 75 5.240 14.824 5.016 1.00 14.52 C ATOM 1182 O ASN A 75 5.420 14.327 3.897 1.00 65.44 O ATOM 1183 CB ASN A 75 4.871 17.331 5.373 1.00 1.43 C ATOM 1184 CG ASN A 75 5.479 17.842 4.062 1.00 35.21 C ATOM 1185 OD1 ASN A 75 4.838 18.569 3.310 1.00 21.31 O ATOM 1186 ND2 ASN A 75 6.704 17.460 3.767 1.00 62.35 N ATOM 0 H ASN A 75 3.421 16.399 7.154 1.00 1.03 H new ATOM 0 HA ASN A 75 3.527 15.966 4.366 1.00 4.12 H new ATOM 0 HB2 ASN A 75 4.141 18.056 5.733 1.00 1.43 H new ATOM 0 HB3 ASN A 75 5.655 17.267 6.128 1.00 1.43 H new ATOM 0 HD21 ASN A 75 7.139 17.769 2.898 1.00 62.35 H new ATOM 0 HD22 ASN A 75 7.218 16.855 4.408 1.00 62.35 H new ATOM 1193 N ARG A 76 5.883 14.409 6.126 1.00 34.31 N ATOM 1194 CA ARG A 76 6.868 13.303 6.143 1.00 61.51 C ATOM 1195 C ARG A 76 6.189 11.927 5.947 1.00 12.21 C ATOM 1196 O ARG A 76 6.792 11.021 5.381 1.00 73.43 O ATOM 1197 CB ARG A 76 7.653 13.297 7.482 1.00 74.33 C ATOM 1198 CG ARG A 76 8.447 14.581 7.774 1.00 50.14 C ATOM 1199 CD ARG A 76 9.556 14.829 6.738 1.00 22.42 C ATOM 1200 NE ARG A 76 10.302 16.069 7.004 1.00 72.05 N ATOM 1201 CZ ARG A 76 11.046 16.717 6.135 1.00 13.43 C ATOM 1202 NH1 ARG A 76 11.100 16.372 4.880 1.00 53.41 N ATOM 1203 NH2 ARG A 76 11.709 17.751 6.525 1.00 0.01 N ATOM 0 H ARG A 76 5.734 14.832 7.042 1.00 34.31 H new ATOM 0 HA ARG A 76 7.554 13.471 5.313 1.00 61.51 H new ATOM 0 HB2 ARG A 76 6.950 13.129 8.298 1.00 74.33 H new ATOM 0 HB3 ARG A 76 8.343 12.454 7.478 1.00 74.33 H new ATOM 0 HG2 ARG A 76 7.766 15.432 7.785 1.00 50.14 H new ATOM 0 HG3 ARG A 76 8.890 14.514 8.768 1.00 50.14 H new ATOM 0 HD2 ARG A 76 10.246 13.985 6.739 1.00 22.42 H new ATOM 0 HD3 ARG A 76 9.115 14.879 5.742 1.00 22.42 H new ATOM 0 HE ARG A 76 10.236 16.460 7.944 1.00 72.05 H new ATOM 0 HH11 ARG A 76 10.555 15.578 4.546 1.00 53.41 H new ATOM 0 HH12 ARG A 76 11.688 16.896 4.232 1.00 53.41 H new ATOM 0 HH21 ARG A 76 11.652 18.057 7.497 1.00 0.01 H new ATOM 0 HH22 ARG A 76 12.290 18.264 5.862 1.00 0.01 H new ATOM 1217 N PHE A 77 4.939 11.782 6.445 1.00 71.05 N ATOM 1218 CA PHE A 77 4.135 10.547 6.273 1.00 42.00 C ATOM 1219 C PHE A 77 3.865 10.282 4.777 1.00 51.01 C ATOM 1220 O PHE A 77 3.945 9.147 4.335 1.00 54.53 O ATOM 1221 CB PHE A 77 2.793 10.636 7.060 1.00 42.34 C ATOM 1222 CG PHE A 77 1.823 9.463 6.821 1.00 62.03 C ATOM 1223 CD1 PHE A 77 2.160 8.169 7.209 1.00 4.44 C ATOM 1224 CD2 PHE A 77 0.590 9.651 6.186 1.00 74.22 C ATOM 1225 CE1 PHE A 77 1.301 7.106 6.985 1.00 31.23 C ATOM 1226 CE2 PHE A 77 -0.263 8.582 5.959 1.00 62.33 C ATOM 1227 CZ PHE A 77 0.094 7.312 6.359 1.00 52.40 C ATOM 0 H PHE A 77 4.461 12.512 6.974 1.00 71.05 H new ATOM 0 HA PHE A 77 4.709 9.713 6.678 1.00 42.00 H new ATOM 0 HB2 PHE A 77 3.016 10.693 8.125 1.00 42.34 H new ATOM 0 HB3 PHE A 77 2.291 11.565 6.790 1.00 42.34 H new ATOM 0 HD1 PHE A 77 3.109 7.991 7.694 1.00 4.44 H new ATOM 0 HD2 PHE A 77 0.299 10.642 5.869 1.00 74.22 H new ATOM 0 HE1 PHE A 77 1.580 6.112 7.303 1.00 31.23 H new ATOM 0 HE2 PHE A 77 -1.211 8.745 5.467 1.00 62.33 H new ATOM 0 HZ PHE A 77 -0.572 6.481 6.181 1.00 52.40 H new ATOM 1237 N ILE A 78 3.557 11.355 4.025 1.00 11.31 N ATOM 1238 CA ILE A 78 3.321 11.293 2.563 1.00 12.01 C ATOM 1239 C ILE A 78 4.631 10.980 1.788 1.00 71.32 C ATOM 1240 O ILE A 78 4.623 10.196 0.828 1.00 43.31 O ATOM 1241 CB ILE A 78 2.677 12.639 2.053 1.00 4.53 C ATOM 1242 CG1 ILE A 78 1.294 12.870 2.754 1.00 2.55 C ATOM 1243 CG2 ILE A 78 2.532 12.672 0.507 1.00 41.10 C ATOM 1244 CD1 ILE A 78 0.622 14.190 2.426 1.00 43.11 C ATOM 0 H ILE A 78 3.464 12.294 4.412 1.00 11.31 H new ATOM 0 HA ILE A 78 2.624 10.478 2.370 1.00 12.01 H new ATOM 0 HB ILE A 78 3.351 13.453 2.320 1.00 4.53 H new ATOM 0 HG12 ILE A 78 0.622 12.058 2.475 1.00 2.55 H new ATOM 0 HG13 ILE A 78 1.436 12.810 3.833 1.00 2.55 H new ATOM 0 HG21 ILE A 78 2.084 13.618 0.204 1.00 41.10 H new ATOM 0 HG22 ILE A 78 3.515 12.572 0.047 1.00 41.10 H new ATOM 0 HG23 ILE A 78 1.895 11.849 0.184 1.00 41.10 H new ATOM 0 HD11 ILE A 78 -0.327 14.257 2.958 1.00 43.11 H new ATOM 0 HD12 ILE A 78 1.268 15.013 2.732 1.00 43.11 H new ATOM 0 HD13 ILE A 78 0.442 14.250 1.353 1.00 43.11 H new ATOM 1256 N GLU A 79 5.753 11.584 2.230 1.00 63.22 N ATOM 1257 CA GLU A 79 7.100 11.299 1.670 1.00 4.42 C ATOM 1258 C GLU A 79 7.475 9.806 1.825 1.00 62.11 C ATOM 1259 O GLU A 79 7.945 9.164 0.874 1.00 43.24 O ATOM 1260 CB GLU A 79 8.164 12.208 2.336 1.00 22.11 C ATOM 1261 CG GLU A 79 8.032 13.702 1.973 1.00 51.30 C ATOM 1262 CD GLU A 79 9.044 14.596 2.712 1.00 64.42 C ATOM 1263 OE1 GLU A 79 10.259 14.516 2.410 1.00 44.22 O ATOM 1264 OE2 GLU A 79 8.637 15.363 3.607 1.00 4.44 O ATOM 0 H GLU A 79 5.757 12.277 2.978 1.00 63.22 H new ATOM 0 HA GLU A 79 7.073 11.519 0.603 1.00 4.42 H new ATOM 0 HB2 GLU A 79 8.092 12.100 3.418 1.00 22.11 H new ATOM 0 HB3 GLU A 79 9.156 11.861 2.046 1.00 22.11 H new ATOM 0 HG2 GLU A 79 8.168 13.822 0.898 1.00 51.30 H new ATOM 0 HG3 GLU A 79 7.022 14.038 2.206 1.00 51.30 H new ATOM 1271 N LEU A 80 7.225 9.267 3.027 1.00 52.33 N ATOM 1272 CA LEU A 80 7.424 7.841 3.339 1.00 61.21 C ATOM 1273 C LEU A 80 6.399 6.957 2.596 1.00 43.51 C ATOM 1274 O LEU A 80 6.743 5.884 2.119 1.00 33.34 O ATOM 1275 CB LEU A 80 7.331 7.606 4.872 1.00 4.22 C ATOM 1276 CG LEU A 80 8.457 8.280 5.725 1.00 2.32 C ATOM 1277 CD1 LEU A 80 8.186 8.137 7.241 1.00 75.54 C ATOM 1278 CD2 LEU A 80 9.853 7.726 5.339 1.00 43.01 C ATOM 0 H LEU A 80 6.877 9.811 3.817 1.00 52.33 H new ATOM 0 HA LEU A 80 8.420 7.558 2.998 1.00 61.21 H new ATOM 0 HB2 LEU A 80 6.366 7.973 5.221 1.00 4.22 H new ATOM 0 HB3 LEU A 80 7.350 6.532 5.060 1.00 4.22 H new ATOM 0 HG LEU A 80 8.450 9.346 5.499 1.00 2.32 H new ATOM 0 HD11 LEU A 80 8.989 8.617 7.801 1.00 75.54 H new ATOM 0 HD12 LEU A 80 7.237 8.613 7.487 1.00 75.54 H new ATOM 0 HD13 LEU A 80 8.141 7.080 7.505 1.00 75.54 H new ATOM 0 HD21 LEU A 80 10.617 8.211 5.946 1.00 43.01 H new ATOM 0 HD22 LEU A 80 9.879 6.650 5.514 1.00 43.01 H new ATOM 0 HD23 LEU A 80 10.045 7.927 4.285 1.00 43.01 H new ATOM 1290 N ASN A 81 5.156 7.452 2.477 1.00 62.33 N ATOM 1291 CA ASN A 81 4.018 6.698 1.894 1.00 73.00 C ATOM 1292 C ASN A 81 4.290 6.306 0.422 1.00 12.52 C ATOM 1293 O ASN A 81 4.108 5.161 0.040 1.00 45.41 O ATOM 1294 CB ASN A 81 2.722 7.552 1.988 1.00 11.22 C ATOM 1295 CG ASN A 81 1.439 6.772 1.729 1.00 73.25 C ATOM 1296 OD1 ASN A 81 1.319 5.609 2.103 1.00 41.33 O ATOM 1297 ND2 ASN A 81 0.470 7.404 1.094 1.00 32.33 N ATOM 0 H ASN A 81 4.904 8.392 2.783 1.00 62.33 H new ATOM 0 HA ASN A 81 3.893 5.778 2.464 1.00 73.00 H new ATOM 0 HB2 ASN A 81 2.667 8.000 2.980 1.00 11.22 H new ATOM 0 HB3 ASN A 81 2.787 8.371 1.271 1.00 11.22 H new ATOM 0 HD21 ASN A 81 -0.410 6.926 0.901 1.00 32.33 H new ATOM 0 HD22 ASN A 81 0.601 8.371 0.796 1.00 32.33 H new ATOM 1304 N PHE A 82 4.762 7.280 -0.376 1.00 23.21 N ATOM 1305 CA PHE A 82 5.057 7.084 -1.821 1.00 40.31 C ATOM 1306 C PHE A 82 6.203 6.068 -2.058 1.00 65.53 C ATOM 1307 O PHE A 82 6.132 5.257 -2.986 1.00 10.12 O ATOM 1308 CB PHE A 82 5.402 8.439 -2.498 1.00 44.23 C ATOM 1309 CG PHE A 82 4.206 9.335 -2.833 1.00 64.31 C ATOM 1310 CD1 PHE A 82 3.174 9.546 -1.919 1.00 52.41 C ATOM 1311 CD2 PHE A 82 4.129 9.979 -4.070 1.00 44.22 C ATOM 1312 CE1 PHE A 82 2.108 10.368 -2.231 1.00 45.44 C ATOM 1313 CE2 PHE A 82 3.065 10.798 -4.375 1.00 43.52 C ATOM 1314 CZ PHE A 82 2.058 10.993 -3.459 1.00 3.03 C ATOM 0 H PHE A 82 4.952 8.226 -0.046 1.00 23.21 H new ATOM 0 HA PHE A 82 4.155 6.672 -2.273 1.00 40.31 H new ATOM 0 HB2 PHE A 82 6.075 8.992 -1.842 1.00 44.23 H new ATOM 0 HB3 PHE A 82 5.950 8.236 -3.418 1.00 44.23 H new ATOM 0 HD1 PHE A 82 3.208 9.061 -0.955 1.00 52.41 H new ATOM 0 HD2 PHE A 82 4.914 9.833 -4.797 1.00 44.22 H new ATOM 0 HE1 PHE A 82 1.315 10.521 -1.514 1.00 45.44 H new ATOM 0 HE2 PHE A 82 3.021 11.289 -5.336 1.00 43.52 H new ATOM 0 HZ PHE A 82 1.226 11.637 -3.702 1.00 3.03 H new ATOM 1324 N LYS A 83 7.280 6.143 -1.246 1.00 21.43 N ATOM 1325 CA LYS A 83 8.417 5.193 -1.350 1.00 44.15 C ATOM 1326 C LYS A 83 8.052 3.790 -0.799 1.00 34.14 C ATOM 1327 O LYS A 83 8.667 2.786 -1.173 1.00 34.24 O ATOM 1328 CB LYS A 83 9.706 5.768 -0.705 1.00 64.31 C ATOM 1329 CG LYS A 83 9.654 5.998 0.820 1.00 72.25 C ATOM 1330 CD LYS A 83 10.918 6.719 1.349 1.00 62.21 C ATOM 1331 CE LYS A 83 11.069 8.150 0.778 1.00 31.43 C ATOM 1332 NZ LYS A 83 12.341 8.787 1.180 1.00 45.13 N ATOM 0 H LYS A 83 7.389 6.846 -0.515 1.00 21.43 H new ATOM 0 HA LYS A 83 8.632 5.060 -2.410 1.00 44.15 H new ATOM 0 HB2 LYS A 83 10.531 5.090 -0.922 1.00 64.31 H new ATOM 0 HB3 LYS A 83 9.938 6.717 -1.188 1.00 64.31 H new ATOM 0 HG2 LYS A 83 8.772 6.589 1.066 1.00 72.25 H new ATOM 0 HG3 LYS A 83 9.547 5.039 1.326 1.00 72.25 H new ATOM 0 HD2 LYS A 83 10.875 6.768 2.437 1.00 62.21 H new ATOM 0 HD3 LYS A 83 11.801 6.134 1.091 1.00 62.21 H new ATOM 0 HE2 LYS A 83 11.013 8.112 -0.310 1.00 31.43 H new ATOM 0 HE3 LYS A 83 10.235 8.764 1.119 1.00 31.43 H new ATOM 0 HZ1 LYS A 83 12.395 9.743 0.773 1.00 45.13 H new ATOM 0 HZ2 LYS A 83 12.385 8.849 2.217 1.00 45.13 H new ATOM 0 HZ3 LYS A 83 13.139 8.218 0.833 1.00 45.13 H new ATOM 1346 N HIS A 84 7.057 3.746 0.105 1.00 3.21 N ATOM 1347 CA HIS A 84 6.474 2.484 0.609 1.00 53.32 C ATOM 1348 C HIS A 84 5.581 1.792 -0.459 1.00 54.53 C ATOM 1349 O HIS A 84 5.679 0.578 -0.678 1.00 73.24 O ATOM 1350 CB HIS A 84 5.641 2.751 1.899 1.00 64.35 C ATOM 1351 CG HIS A 84 6.450 3.113 3.124 1.00 40.42 C ATOM 1352 ND1 HIS A 84 5.883 3.665 4.254 1.00 71.44 N ATOM 1353 CD2 HIS A 84 7.772 2.978 3.408 1.00 51.22 C ATOM 1354 CE1 HIS A 84 6.808 3.854 5.169 1.00 24.21 C ATOM 1355 NE2 HIS A 84 7.960 3.447 4.684 1.00 12.40 N ATOM 0 H HIS A 84 6.633 4.582 0.508 1.00 3.21 H new ATOM 0 HA HIS A 84 7.301 1.813 0.841 1.00 53.32 H new ATOM 0 HB2 HIS A 84 4.937 3.558 1.697 1.00 64.35 H new ATOM 0 HB3 HIS A 84 5.052 1.862 2.122 1.00 64.35 H new ATOM 0 HD2 HIS A 84 8.532 2.577 2.753 1.00 51.22 H new ATOM 0 HE1 HIS A 84 6.649 4.272 6.152 1.00 24.21 H new ATOM 0 HE2 HIS A 84 8.852 3.475 5.178 1.00 12.40 H new ATOM 1364 N LEU A 85 4.727 2.592 -1.125 1.00 60.31 N ATOM 1365 CA LEU A 85 3.683 2.080 -2.045 1.00 72.23 C ATOM 1366 C LEU A 85 4.195 1.886 -3.503 1.00 71.44 C ATOM 1367 O LEU A 85 3.785 0.952 -4.193 1.00 54.25 O ATOM 1368 CB LEU A 85 2.474 3.078 -2.022 1.00 43.50 C ATOM 1369 CG LEU A 85 1.709 3.218 -0.659 1.00 42.30 C ATOM 1370 CD1 LEU A 85 0.544 4.228 -0.776 1.00 23.11 C ATOM 1371 CD2 LEU A 85 1.212 1.846 -0.142 1.00 22.12 C ATOM 0 H LEU A 85 4.738 3.609 -1.044 1.00 60.31 H new ATOM 0 HA LEU A 85 3.381 1.092 -1.698 1.00 72.23 H new ATOM 0 HB2 LEU A 85 2.839 4.063 -2.311 1.00 43.50 H new ATOM 0 HB3 LEU A 85 1.760 2.766 -2.784 1.00 43.50 H new ATOM 0 HG LEU A 85 2.415 3.606 0.075 1.00 42.30 H new ATOM 0 HD11 LEU A 85 0.032 4.305 0.183 1.00 23.11 H new ATOM 0 HD12 LEU A 85 0.937 5.205 -1.057 1.00 23.11 H new ATOM 0 HD13 LEU A 85 -0.158 3.887 -1.536 1.00 23.11 H new ATOM 0 HD21 LEU A 85 0.687 1.982 0.804 1.00 22.12 H new ATOM 0 HD22 LEU A 85 0.534 1.405 -0.873 1.00 22.12 H new ATOM 0 HD23 LEU A 85 2.064 1.183 0.008 1.00 22.12 H new ATOM 1383 N LEU A 86 5.139 2.731 -3.939 1.00 24.43 N ATOM 1384 CA LEU A 86 5.624 2.761 -5.358 1.00 2.45 C ATOM 1385 C LEU A 86 7.163 2.762 -5.458 1.00 75.15 C ATOM 1386 O LEU A 86 7.712 2.445 -6.519 1.00 65.21 O ATOM 1387 CB LEU A 86 5.048 4.019 -6.086 1.00 22.13 C ATOM 1388 CG LEU A 86 3.530 3.948 -6.459 1.00 41.14 C ATOM 1389 CD1 LEU A 86 2.965 5.333 -6.837 1.00 43.42 C ATOM 1390 CD2 LEU A 86 3.288 2.917 -7.593 1.00 63.40 C ATOM 0 H LEU A 86 5.596 3.415 -3.336 1.00 24.43 H new ATOM 0 HA LEU A 86 5.269 1.850 -5.840 1.00 2.45 H new ATOM 0 HB2 LEU A 86 5.207 4.890 -5.450 1.00 22.13 H new ATOM 0 HB3 LEU A 86 5.621 4.182 -6.999 1.00 22.13 H new ATOM 0 HG LEU A 86 2.992 3.613 -5.572 1.00 41.14 H new ATOM 0 HD11 LEU A 86 1.909 5.239 -7.089 1.00 43.42 H new ATOM 0 HD12 LEU A 86 3.077 6.014 -5.994 1.00 43.42 H new ATOM 0 HD13 LEU A 86 3.509 5.726 -7.696 1.00 43.42 H new ATOM 0 HD21 LEU A 86 2.226 2.885 -7.835 1.00 63.40 H new ATOM 0 HD22 LEU A 86 3.853 3.210 -8.478 1.00 63.40 H new ATOM 0 HD23 LEU A 86 3.615 1.931 -7.264 1.00 63.40 H new ATOM 1402 N GLY A 87 7.846 3.149 -4.369 1.00 12.41 N ATOM 1403 CA GLY A 87 9.305 3.319 -4.384 1.00 72.41 C ATOM 1404 C GLY A 87 9.754 4.696 -4.889 1.00 42.41 C ATOM 1405 O GLY A 87 10.945 4.907 -5.135 1.00 61.42 O ATOM 0 H GLY A 87 7.411 3.350 -3.469 1.00 12.41 H new ATOM 0 HA2 GLY A 87 9.691 3.166 -3.376 1.00 72.41 H new ATOM 0 HA3 GLY A 87 9.747 2.547 -5.015 1.00 72.41 H new ATOM 1409 N ARG A 88 8.789 5.633 -5.045 1.00 73.13 N ATOM 1410 CA ARG A 88 9.049 7.011 -5.532 1.00 41.03 C ATOM 1411 C ARG A 88 9.083 8.031 -4.368 1.00 54.13 C ATOM 1412 O ARG A 88 8.458 7.831 -3.333 1.00 61.41 O ATOM 1413 CB ARG A 88 7.974 7.444 -6.577 1.00 41.25 C ATOM 1414 CG ARG A 88 7.988 6.622 -7.891 1.00 74.02 C ATOM 1415 CD ARG A 88 7.182 7.277 -9.037 1.00 61.34 C ATOM 1416 NE ARG A 88 5.713 7.178 -8.865 1.00 14.34 N ATOM 1417 CZ ARG A 88 4.896 8.158 -8.528 1.00 51.32 C ATOM 1418 NH1 ARG A 88 5.334 9.297 -8.086 1.00 75.53 N ATOM 1419 NH2 ARG A 88 3.624 7.973 -8.613 1.00 44.34 N ATOM 0 H ARG A 88 7.806 5.456 -4.837 1.00 73.13 H new ATOM 0 HA ARG A 88 10.029 7.002 -6.009 1.00 41.03 H new ATOM 0 HB2 ARG A 88 6.988 7.360 -6.121 1.00 41.25 H new ATOM 0 HB3 ARG A 88 8.124 8.496 -6.820 1.00 41.25 H new ATOM 0 HG2 ARG A 88 9.020 6.487 -8.215 1.00 74.02 H new ATOM 0 HG3 ARG A 88 7.583 5.629 -7.694 1.00 74.02 H new ATOM 0 HD2 ARG A 88 7.460 8.328 -9.110 1.00 61.34 H new ATOM 0 HD3 ARG A 88 7.461 6.807 -9.980 1.00 61.34 H new ATOM 0 HE ARG A 88 5.292 6.262 -9.023 1.00 14.34 H new ATOM 0 HH11 ARG A 88 6.337 9.455 -7.990 1.00 75.53 H new ATOM 0 HH12 ARG A 88 4.675 10.034 -7.834 1.00 75.53 H new ATOM 0 HH21 ARG A 88 3.259 7.077 -8.938 1.00 44.34 H new ATOM 0 HH22 ARG A 88 2.981 8.722 -8.356 1.00 44.34 H new ATOM 1433 N ALA A 89 9.828 9.126 -4.562 1.00 41.44 N ATOM 1434 CA ALA A 89 9.869 10.268 -3.620 1.00 14.25 C ATOM 1435 C ALA A 89 9.054 11.453 -4.203 1.00 74.22 C ATOM 1436 O ALA A 89 9.355 11.896 -5.324 1.00 61.35 O ATOM 1437 CB ALA A 89 11.328 10.677 -3.348 1.00 1.04 C ATOM 0 H ALA A 89 10.425 9.252 -5.379 1.00 41.44 H new ATOM 0 HA ALA A 89 9.420 9.975 -2.671 1.00 14.25 H new ATOM 0 HB1 ALA A 89 11.347 11.517 -2.654 1.00 1.04 H new ATOM 0 HB2 ALA A 89 11.867 9.835 -2.913 1.00 1.04 H new ATOM 0 HB3 ALA A 89 11.805 10.968 -4.284 1.00 1.04 H new ATOM 1443 N PRO A 90 7.996 11.972 -3.486 1.00 74.40 N ATOM 1444 CA PRO A 90 7.188 13.113 -3.980 1.00 22.32 C ATOM 1445 C PRO A 90 7.984 14.446 -3.932 1.00 61.54 C ATOM 1446 O PRO A 90 7.932 15.200 -2.951 1.00 43.40 O ATOM 1447 CB PRO A 90 5.945 13.111 -3.053 1.00 31.34 C ATOM 1448 CG PRO A 90 6.435 12.507 -1.770 1.00 34.44 C ATOM 1449 CD PRO A 90 7.523 11.509 -2.152 1.00 31.31 C ATOM 0 HA PRO A 90 6.909 13.018 -5.029 1.00 22.32 H new ATOM 0 HB2 PRO A 90 5.565 14.120 -2.897 1.00 31.34 H new ATOM 0 HB3 PRO A 90 5.131 12.526 -3.482 1.00 31.34 H new ATOM 0 HG2 PRO A 90 6.829 13.275 -1.105 1.00 34.44 H new ATOM 0 HG3 PRO A 90 5.622 12.011 -1.239 1.00 34.44 H new ATOM 0 HD2 PRO A 90 8.333 11.505 -1.422 1.00 31.31 H new ATOM 0 HD3 PRO A 90 7.132 10.493 -2.200 1.00 31.31 H new ATOM 1457 N TYR A 91 8.766 14.680 -5.003 1.00 42.01 N ATOM 1458 CA TYR A 91 9.610 15.885 -5.170 1.00 52.43 C ATOM 1459 C TYR A 91 8.757 17.176 -5.272 1.00 43.03 C ATOM 1460 O TYR A 91 9.220 18.264 -4.902 1.00 74.22 O ATOM 1461 CB TYR A 91 10.529 15.718 -6.421 1.00 43.33 C ATOM 1462 CG TYR A 91 9.765 15.424 -7.725 1.00 13.15 C ATOM 1463 CD1 TYR A 91 9.196 16.454 -8.471 1.00 53.13 C ATOM 1464 CD2 TYR A 91 9.579 14.116 -8.182 1.00 30.41 C ATOM 1465 CE1 TYR A 91 8.473 16.200 -9.608 1.00 23.13 C ATOM 1466 CE2 TYR A 91 8.859 13.856 -9.332 1.00 35.41 C ATOM 1467 CZ TYR A 91 8.304 14.902 -10.041 1.00 52.44 C ATOM 1468 OH TYR A 91 7.568 14.650 -11.178 1.00 42.52 O ATOM 0 H TYR A 91 8.832 14.032 -5.788 1.00 42.01 H new ATOM 0 HA TYR A 91 10.235 15.989 -4.283 1.00 52.43 H new ATOM 0 HB2 TYR A 91 11.115 16.628 -6.553 1.00 43.33 H new ATOM 0 HB3 TYR A 91 11.235 14.908 -6.235 1.00 43.33 H new ATOM 0 HD1 TYR A 91 9.327 17.476 -8.146 1.00 53.13 H new ATOM 0 HD2 TYR A 91 10.006 13.294 -7.626 1.00 30.41 H new ATOM 0 HE1 TYR A 91 8.036 17.016 -10.164 1.00 23.13 H new ATOM 0 HE2 TYR A 91 8.731 12.840 -9.674 1.00 35.41 H new ATOM 0 HH TYR A 91 7.546 13.685 -11.346 1.00 42.52 H new ATOM 1478 N ASP A 92 7.518 17.053 -5.807 1.00 64.42 N ATOM 1479 CA ASP A 92 6.562 18.168 -5.848 1.00 1.23 C ATOM 1480 C ASP A 92 5.888 18.328 -4.484 1.00 32.34 C ATOM 1481 O ASP A 92 5.238 17.402 -3.990 1.00 41.00 O ATOM 1482 CB ASP A 92 5.475 17.978 -6.949 1.00 54.14 C ATOM 1483 CG ASP A 92 5.965 18.246 -8.378 1.00 13.23 C ATOM 1484 OD1 ASP A 92 6.825 19.131 -8.572 1.00 5.12 O ATOM 1485 OD2 ASP A 92 5.449 17.608 -9.321 1.00 4.24 O ATOM 0 H ASP A 92 7.164 16.188 -6.215 1.00 64.42 H new ATOM 0 HA ASP A 92 7.126 19.067 -6.095 1.00 1.23 H new ATOM 0 HB2 ASP A 92 5.094 16.958 -6.894 1.00 54.14 H new ATOM 0 HB3 ASP A 92 4.638 18.643 -6.734 1.00 54.14 H new ATOM 1490 N GLN A 93 6.054 19.509 -3.887 1.00 0.31 N ATOM 1491 CA GLN A 93 5.285 19.915 -2.690 1.00 60.31 C ATOM 1492 C GLN A 93 3.779 20.048 -3.038 1.00 21.31 C ATOM 1493 O GLN A 93 2.923 19.877 -2.180 1.00 1.13 O ATOM 1494 CB GLN A 93 5.834 21.244 -2.106 1.00 0.32 C ATOM 1495 CG GLN A 93 5.067 21.752 -0.863 1.00 61.34 C ATOM 1496 CD GLN A 93 5.628 23.042 -0.274 1.00 72.33 C ATOM 1497 OE1 GLN A 93 5.257 24.137 -0.675 1.00 53.40 O ATOM 1498 NE2 GLN A 93 6.494 22.923 0.708 1.00 32.11 N ATOM 0 H GLN A 93 6.718 20.213 -4.210 1.00 0.31 H new ATOM 0 HA GLN A 93 5.398 19.142 -1.930 1.00 60.31 H new ATOM 0 HB2 GLN A 93 6.882 21.106 -1.842 1.00 0.32 H new ATOM 0 HB3 GLN A 93 5.798 22.011 -2.880 1.00 0.32 H new ATOM 0 HG2 GLN A 93 4.023 21.911 -1.133 1.00 61.34 H new ATOM 0 HG3 GLN A 93 5.083 20.977 -0.097 1.00 61.34 H new ATOM 0 HE21 GLN A 93 6.785 21.997 1.022 1.00 32.11 H new ATOM 0 HE22 GLN A 93 6.875 23.756 1.156 1.00 32.11 H new ATOM 1507 N ALA A 94 3.484 20.337 -4.321 1.00 10.12 N ATOM 1508 CA ALA A 94 2.109 20.336 -4.870 1.00 50.11 C ATOM 1509 C ALA A 94 1.489 18.913 -4.866 1.00 14.35 C ATOM 1510 O ALA A 94 0.285 18.760 -4.681 1.00 22.51 O ATOM 1511 CB ALA A 94 2.118 20.918 -6.289 1.00 34.03 C ATOM 0 H ALA A 94 4.195 20.579 -5.011 1.00 10.12 H new ATOM 0 HA ALA A 94 1.487 20.960 -4.228 1.00 50.11 H new ATOM 0 HB1 ALA A 94 1.104 20.916 -6.690 1.00 34.03 H new ATOM 0 HB2 ALA A 94 2.494 21.941 -6.260 1.00 34.03 H new ATOM 0 HB3 ALA A 94 2.762 20.312 -6.927 1.00 34.03 H new ATOM 1517 N GLU A 95 2.338 17.886 -5.085 1.00 44.50 N ATOM 1518 CA GLU A 95 1.935 16.453 -5.055 1.00 74.51 C ATOM 1519 C GLU A 95 1.630 16.002 -3.607 1.00 3.45 C ATOM 1520 O GLU A 95 0.640 15.296 -3.347 1.00 74.05 O ATOM 1521 CB GLU A 95 3.072 15.585 -5.664 1.00 1.44 C ATOM 1522 CG GLU A 95 2.771 14.079 -5.809 1.00 71.15 C ATOM 1523 CD GLU A 95 1.629 13.757 -6.790 1.00 4.12 C ATOM 1524 OE1 GLU A 95 1.634 14.299 -7.921 1.00 71.53 O ATOM 1525 OE2 GLU A 95 0.748 12.934 -6.453 1.00 73.23 O ATOM 0 H GLU A 95 3.328 18.022 -5.289 1.00 44.50 H new ATOM 0 HA GLU A 95 1.028 16.326 -5.646 1.00 74.51 H new ATOM 0 HB2 GLU A 95 3.317 15.982 -6.649 1.00 1.44 H new ATOM 0 HB3 GLU A 95 3.961 15.699 -5.044 1.00 1.44 H new ATOM 0 HG2 GLU A 95 3.675 13.569 -6.141 1.00 71.15 H new ATOM 0 HG3 GLU A 95 2.519 13.674 -4.829 1.00 71.15 H new ATOM 1532 N VAL A 96 2.500 16.437 -2.677 1.00 21.24 N ATOM 1533 CA VAL A 96 2.336 16.203 -1.226 1.00 14.24 C ATOM 1534 C VAL A 96 1.041 16.895 -0.713 1.00 14.15 C ATOM 1535 O VAL A 96 0.223 16.278 -0.035 1.00 4.35 O ATOM 1536 CB VAL A 96 3.593 16.733 -0.427 1.00 21.14 C ATOM 1537 CG1 VAL A 96 3.466 16.475 1.093 1.00 32.40 C ATOM 1538 CG2 VAL A 96 4.906 16.115 -0.976 1.00 43.03 C ATOM 0 H VAL A 96 3.342 16.964 -2.910 1.00 21.24 H new ATOM 0 HA VAL A 96 2.252 15.129 -1.059 1.00 14.24 H new ATOM 0 HB VAL A 96 3.630 17.812 -0.575 1.00 21.14 H new ATOM 0 HG11 VAL A 96 4.352 16.855 1.602 1.00 32.40 H new ATOM 0 HG12 VAL A 96 2.581 16.984 1.476 1.00 32.40 H new ATOM 0 HG13 VAL A 96 3.376 15.404 1.274 1.00 32.40 H new ATOM 0 HG21 VAL A 96 5.754 16.498 -0.408 1.00 43.03 H new ATOM 0 HG22 VAL A 96 4.865 15.030 -0.881 1.00 43.03 H new ATOM 0 HG23 VAL A 96 5.023 16.383 -2.026 1.00 43.03 H new ATOM 1548 N ALA A 97 0.869 18.171 -1.105 1.00 42.10 N ATOM 1549 CA ALA A 97 -0.298 19.013 -0.739 1.00 51.43 C ATOM 1550 C ALA A 97 -1.618 18.513 -1.376 1.00 5.13 C ATOM 1551 O ALA A 97 -2.692 18.668 -0.782 1.00 41.44 O ATOM 1552 CB ALA A 97 -0.036 20.481 -1.127 1.00 61.32 C ATOM 0 H ALA A 97 1.544 18.659 -1.694 1.00 42.10 H new ATOM 0 HA ALA A 97 -0.421 18.938 0.341 1.00 51.43 H new ATOM 0 HB1 ALA A 97 -0.898 21.089 -0.854 1.00 61.32 H new ATOM 0 HB2 ALA A 97 0.846 20.845 -0.600 1.00 61.32 H new ATOM 0 HB3 ALA A 97 0.130 20.549 -2.202 1.00 61.32 H new ATOM 1558 N ALA A 98 -1.530 17.923 -2.588 1.00 75.14 N ATOM 1559 CA ALA A 98 -2.706 17.345 -3.293 1.00 23.20 C ATOM 1560 C ALA A 98 -3.279 16.140 -2.518 1.00 34.25 C ATOM 1561 O ALA A 98 -4.489 16.067 -2.261 1.00 42.21 O ATOM 1562 CB ALA A 98 -2.333 16.929 -4.728 1.00 4.24 C ATOM 0 H ALA A 98 -0.655 17.832 -3.104 1.00 75.14 H new ATOM 0 HA ALA A 98 -3.475 18.116 -3.344 1.00 23.20 H new ATOM 0 HB1 ALA A 98 -3.208 16.509 -5.224 1.00 4.24 H new ATOM 0 HB2 ALA A 98 -1.986 17.802 -5.281 1.00 4.24 H new ATOM 0 HB3 ALA A 98 -1.541 16.181 -4.696 1.00 4.24 H new ATOM 1568 N HIS A 99 -2.385 15.213 -2.121 1.00 34.43 N ATOM 1569 CA HIS A 99 -2.762 14.038 -1.304 1.00 33.03 C ATOM 1570 C HIS A 99 -3.158 14.449 0.122 1.00 53.21 C ATOM 1571 O HIS A 99 -4.027 13.830 0.700 1.00 24.55 O ATOM 1572 CB HIS A 99 -1.624 12.982 -1.272 1.00 3.30 C ATOM 1573 CG HIS A 99 -1.510 12.202 -2.551 1.00 52.55 C ATOM 1574 ND1 HIS A 99 -1.806 10.857 -2.644 1.00 31.10 N ATOM 1575 CD2 HIS A 99 -1.160 12.592 -3.799 1.00 62.12 C ATOM 1576 CE1 HIS A 99 -1.636 10.455 -3.885 1.00 32.40 C ATOM 1577 NE2 HIS A 99 -1.242 11.488 -4.608 1.00 71.23 N ATOM 0 H HIS A 99 -1.393 15.254 -2.353 1.00 34.43 H new ATOM 0 HA HIS A 99 -3.632 13.583 -1.777 1.00 33.03 H new ATOM 0 HB2 HIS A 99 -0.677 13.483 -1.073 1.00 3.30 H new ATOM 0 HB3 HIS A 99 -1.799 12.292 -0.447 1.00 3.30 H new ATOM 0 HD1 HIS A 99 -2.110 10.266 -1.870 1.00 31.10 H new ATOM 0 HD2 HIS A 99 -0.870 13.587 -4.101 1.00 62.12 H new ATOM 0 HE1 HIS A 99 -1.792 9.451 -4.251 1.00 32.40 H new ATOM 1586 N ALA A 100 -2.511 15.499 0.664 1.00 3.13 N ATOM 1587 CA ALA A 100 -2.844 16.067 1.994 1.00 63.32 C ATOM 1588 C ALA A 100 -4.280 16.633 2.050 1.00 72.14 C ATOM 1589 O ALA A 100 -5.009 16.405 3.019 1.00 75.44 O ATOM 1590 CB ALA A 100 -1.830 17.156 2.379 1.00 32.12 C ATOM 0 H ALA A 100 -1.743 15.980 0.196 1.00 3.13 H new ATOM 0 HA ALA A 100 -2.790 15.250 2.713 1.00 63.32 H new ATOM 0 HB1 ALA A 100 -2.087 17.563 3.357 1.00 32.12 H new ATOM 0 HB2 ALA A 100 -0.830 16.725 2.417 1.00 32.12 H new ATOM 0 HB3 ALA A 100 -1.853 17.953 1.636 1.00 32.12 H new ATOM 1596 N ALA A 101 -4.680 17.362 0.998 1.00 54.32 N ATOM 1597 CA ALA A 101 -6.026 17.969 0.910 1.00 62.13 C ATOM 1598 C ALA A 101 -7.126 16.900 0.743 1.00 41.31 C ATOM 1599 O ALA A 101 -8.227 17.041 1.279 1.00 41.20 O ATOM 1600 CB ALA A 101 -6.082 18.994 -0.230 1.00 1.31 C ATOM 0 H ALA A 101 -4.089 17.549 0.188 1.00 54.32 H new ATOM 0 HA ALA A 101 -6.217 18.486 1.851 1.00 62.13 H new ATOM 0 HB1 ALA A 101 -7.080 19.430 -0.279 1.00 1.31 H new ATOM 0 HB2 ALA A 101 -5.351 19.782 -0.047 1.00 1.31 H new ATOM 0 HB3 ALA A 101 -5.855 18.500 -1.175 1.00 1.31 H new ATOM 1606 N THR A 102 -6.810 15.827 0.000 1.00 24.35 N ATOM 1607 CA THR A 102 -7.722 14.674 -0.166 1.00 45.31 C ATOM 1608 C THR A 102 -7.823 13.871 1.159 1.00 21.55 C ATOM 1609 O THR A 102 -8.902 13.441 1.560 1.00 51.33 O ATOM 1610 CB THR A 102 -7.247 13.734 -1.326 1.00 52.04 C ATOM 1611 OG1 THR A 102 -7.075 14.498 -2.535 1.00 21.25 O ATOM 1612 CG2 THR A 102 -8.245 12.592 -1.600 1.00 3.33 C ATOM 0 H THR A 102 -5.926 15.730 -0.499 1.00 24.35 H new ATOM 0 HA THR A 102 -8.707 15.063 -0.425 1.00 45.31 H new ATOM 0 HB THR A 102 -6.302 13.291 -1.011 1.00 52.04 H new ATOM 0 HG1 THR A 102 -6.255 15.031 -2.471 1.00 21.25 H new ATOM 0 HG21 THR A 102 -7.871 11.969 -2.412 1.00 3.33 H new ATOM 0 HG22 THR A 102 -8.361 11.986 -0.701 1.00 3.33 H new ATOM 0 HG23 THR A 102 -9.211 13.012 -1.881 1.00 3.33 H new ATOM 1620 N TYR A 103 -6.669 13.709 1.821 1.00 52.53 N ATOM 1621 CA TYR A 103 -6.506 13.024 3.123 1.00 34.11 C ATOM 1622 C TYR A 103 -7.427 13.615 4.227 1.00 2.45 C ATOM 1623 O TYR A 103 -8.210 12.903 4.843 1.00 15.22 O ATOM 1624 CB TYR A 103 -5.010 13.182 3.527 1.00 74.40 C ATOM 1625 CG TYR A 103 -4.494 12.309 4.673 1.00 11.52 C ATOM 1626 CD1 TYR A 103 -4.720 12.652 6.007 1.00 25.14 C ATOM 1627 CD2 TYR A 103 -3.746 11.162 4.410 1.00 61.35 C ATOM 1628 CE1 TYR A 103 -4.226 11.872 7.035 1.00 52.22 C ATOM 1629 CE2 TYR A 103 -3.248 10.387 5.430 1.00 22.23 C ATOM 1630 CZ TYR A 103 -3.490 10.741 6.737 1.00 35.44 C ATOM 1631 OH TYR A 103 -2.990 9.956 7.753 1.00 14.52 O ATOM 0 H TYR A 103 -5.785 14.063 1.455 1.00 52.53 H new ATOM 0 HA TYR A 103 -6.792 11.977 3.023 1.00 34.11 H new ATOM 0 HB2 TYR A 103 -4.400 12.978 2.647 1.00 74.40 H new ATOM 0 HB3 TYR A 103 -4.842 14.225 3.796 1.00 74.40 H new ATOM 0 HD1 TYR A 103 -5.289 13.540 6.239 1.00 25.14 H new ATOM 0 HD2 TYR A 103 -3.554 10.877 3.386 1.00 61.35 H new ATOM 0 HE1 TYR A 103 -4.414 12.144 8.063 1.00 52.22 H new ATOM 0 HE2 TYR A 103 -2.669 9.503 5.206 1.00 22.23 H new ATOM 0 HH TYR A 103 -2.419 10.499 8.335 1.00 14.52 H new ATOM 1641 N HIS A 104 -7.300 14.929 4.477 1.00 45.02 N ATOM 1642 CA HIS A 104 -8.039 15.613 5.566 1.00 42.53 C ATOM 1643 C HIS A 104 -9.526 15.883 5.202 1.00 4.45 C ATOM 1644 O HIS A 104 -10.422 15.671 6.026 1.00 53.22 O ATOM 1645 CB HIS A 104 -7.319 16.927 5.959 1.00 25.44 C ATOM 1646 CG HIS A 104 -5.898 16.727 6.434 1.00 22.42 C ATOM 1647 ND1 HIS A 104 -5.576 15.949 7.527 1.00 64.31 N ATOM 1648 CD2 HIS A 104 -4.715 17.186 5.953 1.00 13.20 C ATOM 1649 CE1 HIS A 104 -4.273 15.939 7.696 1.00 11.52 C ATOM 1650 NE2 HIS A 104 -3.732 16.676 6.757 1.00 72.04 N ATOM 0 H HIS A 104 -6.691 15.546 3.940 1.00 45.02 H new ATOM 0 HA HIS A 104 -8.047 14.940 6.423 1.00 42.53 H new ATOM 0 HB2 HIS A 104 -7.314 17.598 5.100 1.00 25.44 H new ATOM 0 HB3 HIS A 104 -7.889 17.421 6.746 1.00 25.44 H new ATOM 0 HD2 HIS A 104 -4.576 17.831 5.098 1.00 13.20 H new ATOM 0 HE1 HIS A 104 -3.740 15.414 8.475 1.00 11.52 H new ATOM 0 HE2 HIS A 104 -2.732 16.844 6.643 1.00 72.04 H new ATOM 1659 N SER A 105 -9.778 16.336 3.959 1.00 3.42 N ATOM 1660 CA SER A 105 -11.136 16.784 3.530 1.00 11.50 C ATOM 1661 C SER A 105 -12.042 15.612 3.063 1.00 11.23 C ATOM 1662 O SER A 105 -13.250 15.621 3.313 1.00 52.25 O ATOM 1663 CB SER A 105 -11.017 17.839 2.403 1.00 54.43 C ATOM 1664 OG SER A 105 -12.287 18.283 1.943 1.00 43.34 O ATOM 0 H SER A 105 -9.068 16.405 3.230 1.00 3.42 H new ATOM 0 HA SER A 105 -11.612 17.225 4.406 1.00 11.50 H new ATOM 0 HB2 SER A 105 -10.446 18.693 2.767 1.00 54.43 H new ATOM 0 HB3 SER A 105 -10.459 17.415 1.568 1.00 54.43 H new ATOM 0 HG SER A 105 -12.164 18.948 1.234 1.00 43.34 H new ATOM 1670 N HIS A 106 -11.456 14.605 2.383 1.00 3.54 N ATOM 1671 CA HIS A 106 -12.224 13.458 1.794 1.00 31.01 C ATOM 1672 C HIS A 106 -11.941 12.106 2.501 1.00 61.22 C ATOM 1673 O HIS A 106 -12.682 11.135 2.310 1.00 64.11 O ATOM 1674 CB HIS A 106 -11.894 13.353 0.276 1.00 35.33 C ATOM 1675 CG HIS A 106 -12.186 14.624 -0.484 1.00 10.55 C ATOM 1676 ND1 HIS A 106 -11.414 15.713 -0.735 1.00 34.34 N flip ATOM 1677 CD2 HIS A 106 -13.411 14.902 -1.047 1.00 12.22 C flip ATOM 1678 CE1 HIS A 106 -12.185 16.607 -1.428 1.00 44.20 C flip ATOM 1679 NE2 HIS A 106 -13.384 16.093 -1.602 1.00 71.15 N flip ATOM 0 H HIS A 106 -10.450 14.552 2.221 1.00 3.54 H new ATOM 0 HA HIS A 106 -13.284 13.662 1.942 1.00 31.01 H new ATOM 0 HB2 HIS A 106 -10.841 13.099 0.156 1.00 35.33 H new ATOM 0 HB3 HIS A 106 -12.470 12.536 -0.159 1.00 35.33 H new ATOM 0 HD2 HIS A 106 -14.265 14.241 -1.035 1.00 12.22 H new ATOM 0 HE1 HIS A 106 -11.862 17.577 -1.776 1.00 44.20 H new ATOM 0 HE2 HIS A 106 -14.161 16.543 -2.086 1.00 71.15 H new ATOM 1688 N GLY A 107 -10.868 12.059 3.302 1.00 62.34 N ATOM 1689 CA GLY A 107 -10.454 10.836 4.013 1.00 43.23 C ATOM 1690 C GLY A 107 -9.163 10.251 3.440 1.00 73.20 C ATOM 1691 O GLY A 107 -8.929 10.337 2.229 1.00 42.44 O ATOM 0 H GLY A 107 -10.264 12.862 3.477 1.00 62.34 H new ATOM 0 HA2 GLY A 107 -10.312 11.061 5.070 1.00 43.23 H new ATOM 0 HA3 GLY A 107 -11.249 10.093 3.949 1.00 43.23 H new ATOM 1695 N TYR A 108 -8.316 9.664 4.315 1.00 42.13 N ATOM 1696 CA TYR A 108 -7.021 9.054 3.909 1.00 40.33 C ATOM 1697 C TYR A 108 -7.210 7.876 2.925 1.00 53.31 C ATOM 1698 O TYR A 108 -6.359 7.617 2.077 1.00 72.12 O ATOM 1699 CB TYR A 108 -6.199 8.611 5.150 1.00 73.42 C ATOM 1700 CG TYR A 108 -6.815 7.514 6.040 1.00 54.34 C ATOM 1701 CD1 TYR A 108 -7.809 7.812 6.979 1.00 62.41 C ATOM 1702 CD2 TYR A 108 -6.377 6.183 5.962 1.00 21.05 C ATOM 1703 CE1 TYR A 108 -8.336 6.829 7.801 1.00 33.22 C ATOM 1704 CE2 TYR A 108 -6.907 5.202 6.777 1.00 22.12 C ATOM 1705 CZ TYR A 108 -7.883 5.528 7.694 1.00 45.04 C ATOM 1706 OH TYR A 108 -8.404 4.552 8.519 1.00 72.13 O ATOM 0 H TYR A 108 -8.505 9.598 5.315 1.00 42.13 H new ATOM 0 HA TYR A 108 -6.460 9.825 3.381 1.00 40.33 H new ATOM 0 HB2 TYR A 108 -5.226 8.261 4.805 1.00 73.42 H new ATOM 0 HB3 TYR A 108 -6.020 9.490 5.770 1.00 73.42 H new ATOM 0 HD1 TYR A 108 -8.172 8.826 7.064 1.00 62.41 H new ATOM 0 HD2 TYR A 108 -5.609 5.920 5.249 1.00 21.05 H new ATOM 0 HE1 TYR A 108 -9.099 7.079 8.523 1.00 33.22 H new ATOM 0 HE2 TYR A 108 -6.558 4.183 6.696 1.00 22.12 H new ATOM 0 HH TYR A 108 -7.980 3.692 8.316 1.00 72.13 H new ATOM 1716 N ASP A 109 -8.360 7.202 3.039 1.00 10.35 N ATOM 1717 CA ASP A 109 -8.752 6.086 2.159 1.00 20.11 C ATOM 1718 C ASP A 109 -8.897 6.530 0.682 1.00 63.11 C ATOM 1719 O ASP A 109 -8.621 5.754 -0.228 1.00 14.53 O ATOM 1720 CB ASP A 109 -10.060 5.436 2.686 1.00 30.03 C ATOM 1721 CG ASP A 109 -11.225 6.438 2.814 1.00 13.10 C ATOM 1722 OD1 ASP A 109 -11.164 7.320 3.699 1.00 14.43 O ATOM 1723 OD2 ASP A 109 -12.195 6.350 2.036 1.00 71.11 O ATOM 0 H ASP A 109 -9.056 7.416 3.753 1.00 10.35 H new ATOM 0 HA ASP A 109 -7.955 5.343 2.179 1.00 20.11 H new ATOM 0 HB2 ASP A 109 -10.354 4.630 2.014 1.00 30.03 H new ATOM 0 HB3 ASP A 109 -9.868 4.985 3.660 1.00 30.03 H new ATOM 1728 N ALA A 110 -9.288 7.799 0.472 1.00 64.51 N ATOM 1729 CA ALA A 110 -9.538 8.357 -0.873 1.00 54.52 C ATOM 1730 C ALA A 110 -8.235 8.489 -1.715 1.00 35.24 C ATOM 1731 O ALA A 110 -8.205 8.068 -2.884 1.00 52.25 O ATOM 1732 CB ALA A 110 -10.262 9.709 -0.746 1.00 51.45 C ATOM 0 H ALA A 110 -9.440 8.468 1.227 1.00 64.51 H new ATOM 0 HA ALA A 110 -10.177 7.658 -1.413 1.00 54.52 H new ATOM 0 HB1 ALA A 110 -10.445 10.118 -1.739 1.00 51.45 H new ATOM 0 HB2 ALA A 110 -11.212 9.566 -0.232 1.00 51.45 H new ATOM 0 HB3 ALA A 110 -9.642 10.402 -0.177 1.00 51.45 H new ATOM 1738 N ASP A 111 -7.156 9.059 -1.119 1.00 13.52 N ATOM 1739 CA ASP A 111 -5.869 9.269 -1.839 1.00 40.45 C ATOM 1740 C ASP A 111 -5.048 7.948 -1.963 1.00 42.31 C ATOM 1741 O ASP A 111 -4.272 7.783 -2.914 1.00 13.21 O ATOM 1742 CB ASP A 111 -5.027 10.428 -1.222 1.00 64.35 C ATOM 1743 CG ASP A 111 -4.360 10.098 0.125 1.00 54.53 C ATOM 1744 OD1 ASP A 111 -5.047 10.160 1.164 1.00 54.13 O ATOM 1745 OD2 ASP A 111 -3.135 9.799 0.132 1.00 24.30 O ATOM 0 H ASP A 111 -7.149 9.379 -0.151 1.00 13.52 H new ATOM 0 HA ASP A 111 -6.125 9.579 -2.852 1.00 40.45 H new ATOM 0 HB2 ASP A 111 -4.253 10.714 -1.934 1.00 64.35 H new ATOM 0 HB3 ASP A 111 -5.673 11.296 -1.088 1.00 64.35 H new ATOM 1750 N ILE A 112 -5.193 7.037 -0.971 1.00 71.33 N ATOM 1751 CA ILE A 112 -4.588 5.671 -1.025 1.00 41.42 C ATOM 1752 C ILE A 112 -5.182 4.820 -2.187 1.00 55.42 C ATOM 1753 O ILE A 112 -4.435 4.159 -2.925 1.00 50.34 O ATOM 1754 CB ILE A 112 -4.762 4.897 0.340 1.00 43.14 C ATOM 1755 CG1 ILE A 112 -4.030 5.644 1.508 1.00 75.04 C ATOM 1756 CG2 ILE A 112 -4.284 3.415 0.239 1.00 3.21 C ATOM 1757 CD1 ILE A 112 -2.524 5.749 1.364 1.00 51.20 C ATOM 0 H ILE A 112 -5.724 7.218 -0.119 1.00 71.33 H new ATOM 0 HA ILE A 112 -3.524 5.817 -1.209 1.00 41.42 H new ATOM 0 HB ILE A 112 -5.829 4.876 0.563 1.00 43.14 H new ATOM 0 HG12 ILE A 112 -4.442 6.650 1.589 1.00 75.04 H new ATOM 0 HG13 ILE A 112 -4.255 5.131 2.443 1.00 75.04 H new ATOM 0 HG21 ILE A 112 -4.422 2.922 1.201 1.00 3.21 H new ATOM 0 HG22 ILE A 112 -4.867 2.896 -0.522 1.00 3.21 H new ATOM 0 HG23 ILE A 112 -3.229 3.391 -0.033 1.00 3.21 H new ATOM 0 HD11 ILE A 112 -2.113 6.282 2.221 1.00 51.20 H new ATOM 0 HD12 ILE A 112 -2.092 4.749 1.317 1.00 51.20 H new ATOM 0 HD13 ILE A 112 -2.283 6.292 0.450 1.00 51.20 H new ATOM 1769 N ASN A 113 -6.528 4.840 -2.337 1.00 74.10 N ATOM 1770 CA ASN A 113 -7.229 4.131 -3.446 1.00 71.25 C ATOM 1771 C ASN A 113 -6.775 4.650 -4.833 1.00 74.32 C ATOM 1772 O ASN A 113 -6.778 3.899 -5.809 1.00 54.44 O ATOM 1773 CB ASN A 113 -8.772 4.243 -3.314 1.00 31.23 C ATOM 1774 CG ASN A 113 -9.344 3.483 -2.113 1.00 24.40 C ATOM 1775 OD1 ASN A 113 -8.785 2.489 -1.659 1.00 51.35 O ATOM 1776 ND2 ASN A 113 -10.479 3.927 -1.609 1.00 70.33 N ATOM 0 H ASN A 113 -7.155 5.339 -1.706 1.00 74.10 H new ATOM 0 HA ASN A 113 -6.954 3.079 -3.366 1.00 71.25 H new ATOM 0 HB2 ASN A 113 -9.045 5.295 -3.231 1.00 31.23 H new ATOM 0 HB3 ASN A 113 -9.234 3.865 -4.226 1.00 31.23 H new ATOM 0 HD21 ASN A 113 -10.913 3.442 -0.823 1.00 70.33 H new ATOM 0 HD22 ASN A 113 -10.923 4.756 -2.005 1.00 70.33 H new ATOM 1783 N SER A 114 -6.393 5.947 -4.891 1.00 30.24 N ATOM 1784 CA SER A 114 -5.825 6.577 -6.111 1.00 25.52 C ATOM 1785 C SER A 114 -4.526 5.866 -6.573 1.00 64.21 C ATOM 1786 O SER A 114 -4.307 5.713 -7.778 1.00 14.35 O ATOM 1787 CB SER A 114 -5.555 8.082 -5.876 1.00 25.21 C ATOM 1788 OG SER A 114 -5.005 8.712 -7.026 1.00 12.03 O ATOM 0 H SER A 114 -6.468 6.585 -4.099 1.00 30.24 H new ATOM 0 HA SER A 114 -6.565 6.471 -6.904 1.00 25.52 H new ATOM 0 HB2 SER A 114 -6.486 8.578 -5.601 1.00 25.21 H new ATOM 0 HB3 SER A 114 -4.871 8.200 -5.036 1.00 25.21 H new ATOM 0 HG SER A 114 -4.851 9.661 -6.837 1.00 12.03 H new ATOM 1794 N TYR A 115 -3.687 5.409 -5.607 1.00 15.32 N ATOM 1795 CA TYR A 115 -2.460 4.645 -5.901 1.00 20.23 C ATOM 1796 C TYR A 115 -2.810 3.224 -6.437 1.00 33.54 C ATOM 1797 O TYR A 115 -2.180 2.740 -7.385 1.00 13.30 O ATOM 1798 CB TYR A 115 -1.575 4.591 -4.602 1.00 65.50 C ATOM 1799 CG TYR A 115 -0.833 3.262 -4.369 1.00 52.54 C ATOM 1800 CD1 TYR A 115 0.267 2.905 -5.144 1.00 73.21 C ATOM 1801 CD2 TYR A 115 -1.254 2.361 -3.385 1.00 75.30 C ATOM 1802 CE1 TYR A 115 0.914 1.712 -4.947 1.00 35.04 C ATOM 1803 CE2 TYR A 115 -0.599 1.165 -3.190 1.00 12.13 C ATOM 1804 CZ TYR A 115 0.481 0.846 -3.970 1.00 22.35 C ATOM 1805 OH TYR A 115 1.152 -0.338 -3.761 1.00 42.43 O ATOM 0 H TYR A 115 -3.846 5.562 -4.611 1.00 15.32 H new ATOM 0 HA TYR A 115 -1.890 5.139 -6.688 1.00 20.23 H new ATOM 0 HB2 TYR A 115 -0.841 5.395 -4.648 1.00 65.50 H new ATOM 0 HB3 TYR A 115 -2.211 4.789 -3.740 1.00 65.50 H new ATOM 0 HD1 TYR A 115 0.616 3.578 -5.913 1.00 73.21 H new ATOM 0 HD2 TYR A 115 -2.106 2.607 -2.769 1.00 75.30 H new ATOM 0 HE1 TYR A 115 1.765 1.452 -5.560 1.00 35.04 H new ATOM 0 HE2 TYR A 115 -0.936 0.481 -2.425 1.00 12.13 H new ATOM 0 HH TYR A 115 1.110 -0.885 -4.573 1.00 42.43 H new ATOM 1815 N ILE A 116 -3.834 2.591 -5.832 1.00 41.33 N ATOM 1816 CA ILE A 116 -4.316 1.243 -6.236 1.00 21.21 C ATOM 1817 C ILE A 116 -4.909 1.280 -7.671 1.00 20.00 C ATOM 1818 O ILE A 116 -4.839 0.303 -8.425 1.00 53.50 O ATOM 1819 CB ILE A 116 -5.391 0.705 -5.205 1.00 52.25 C ATOM 1820 CG1 ILE A 116 -4.799 0.664 -3.755 1.00 22.50 C ATOM 1821 CG2 ILE A 116 -5.928 -0.694 -5.610 1.00 75.40 C ATOM 1822 CD1 ILE A 116 -3.689 -0.362 -3.551 1.00 61.20 C ATOM 0 H ILE A 116 -4.353 2.993 -5.051 1.00 41.33 H new ATOM 0 HA ILE A 116 -3.465 0.561 -6.234 1.00 21.21 H new ATOM 0 HB ILE A 116 -6.231 1.400 -5.221 1.00 52.25 H new ATOM 0 HG12 ILE A 116 -4.412 1.652 -3.507 1.00 22.50 H new ATOM 0 HG13 ILE A 116 -5.606 0.452 -3.053 1.00 22.50 H new ATOM 0 HG21 ILE A 116 -6.663 -1.028 -4.877 1.00 75.40 H new ATOM 0 HG22 ILE A 116 -6.396 -0.634 -6.592 1.00 75.40 H new ATOM 0 HG23 ILE A 116 -5.102 -1.405 -5.645 1.00 75.40 H new ATOM 0 HD11 ILE A 116 -3.340 -0.320 -2.519 1.00 61.20 H new ATOM 0 HD12 ILE A 116 -4.072 -1.360 -3.764 1.00 61.20 H new ATOM 0 HD13 ILE A 116 -2.861 -0.141 -4.224 1.00 61.20 H new ATOM 1834 N ASP A 117 -5.461 2.449 -8.030 1.00 11.14 N ATOM 1835 CA ASP A 117 -6.113 2.685 -9.325 1.00 13.05 C ATOM 1836 C ASP A 117 -5.148 3.336 -10.369 1.00 41.41 C ATOM 1837 O ASP A 117 -5.550 3.598 -11.512 1.00 73.45 O ATOM 1838 CB ASP A 117 -7.384 3.540 -9.077 1.00 44.42 C ATOM 1839 CG ASP A 117 -8.302 3.665 -10.301 1.00 3.22 C ATOM 1840 OD1 ASP A 117 -8.682 2.616 -10.872 1.00 53.40 O ATOM 1841 OD2 ASP A 117 -8.642 4.798 -10.704 1.00 3.20 O ATOM 0 H ASP A 117 -5.467 3.267 -7.420 1.00 11.14 H new ATOM 0 HA ASP A 117 -6.399 1.731 -9.767 1.00 13.05 H new ATOM 0 HB2 ASP A 117 -7.950 3.101 -8.255 1.00 44.42 H new ATOM 0 HB3 ASP A 117 -7.082 4.538 -8.759 1.00 44.42 H new ATOM 1846 N SER A 118 -3.866 3.570 -9.996 1.00 75.30 N ATOM 1847 CA SER A 118 -2.854 4.144 -10.922 1.00 13.55 C ATOM 1848 C SER A 118 -2.448 3.117 -12.007 1.00 31.35 C ATOM 1849 O SER A 118 -2.146 1.971 -11.682 1.00 22.31 O ATOM 1850 CB SER A 118 -1.584 4.595 -10.149 1.00 32.24 C ATOM 1851 OG SER A 118 -1.841 5.687 -9.278 1.00 1.20 O ATOM 0 H SER A 118 -3.507 3.371 -9.062 1.00 75.30 H new ATOM 0 HA SER A 118 -3.310 5.011 -11.401 1.00 13.55 H new ATOM 0 HB2 SER A 118 -1.196 3.756 -9.571 1.00 32.24 H new ATOM 0 HB3 SER A 118 -0.809 4.877 -10.862 1.00 32.24 H new ATOM 0 HG SER A 118 -2.709 5.560 -8.842 1.00 1.20 H new ATOM 1857 N ALA A 119 -2.446 3.549 -13.284 1.00 70.41 N ATOM 1858 CA ALA A 119 -2.019 2.708 -14.431 1.00 12.12 C ATOM 1859 C ALA A 119 -0.550 2.236 -14.291 1.00 50.03 C ATOM 1860 O ALA A 119 -0.228 1.090 -14.610 1.00 50.43 O ATOM 1861 CB ALA A 119 -2.217 3.470 -15.751 1.00 44.11 C ATOM 0 H ALA A 119 -2.739 4.488 -13.554 1.00 70.41 H new ATOM 0 HA ALA A 119 -2.645 1.816 -14.436 1.00 12.12 H new ATOM 0 HB1 ALA A 119 -1.900 2.843 -16.584 1.00 44.11 H new ATOM 0 HB2 ALA A 119 -3.270 3.726 -15.869 1.00 44.11 H new ATOM 0 HB3 ALA A 119 -1.621 4.383 -15.737 1.00 44.11 H new ATOM 1867 N GLU A 120 0.324 3.137 -13.784 1.00 30.53 N ATOM 1868 CA GLU A 120 1.754 2.830 -13.515 1.00 72.34 C ATOM 1869 C GLU A 120 1.911 1.646 -12.521 1.00 12.52 C ATOM 1870 O GLU A 120 2.744 0.756 -12.725 1.00 25.13 O ATOM 1871 CB GLU A 120 2.494 4.086 -12.965 1.00 2.22 C ATOM 1872 CG GLU A 120 1.923 4.660 -11.648 1.00 1.11 C ATOM 1873 CD GLU A 120 2.792 5.771 -11.040 1.00 71.11 C ATOM 1874 OE1 GLU A 120 3.773 5.448 -10.337 1.00 41.33 O ATOM 1875 OE2 GLU A 120 2.504 6.966 -11.267 1.00 41.22 O ATOM 0 H GLU A 120 0.062 4.094 -13.550 1.00 30.53 H new ATOM 0 HA GLU A 120 2.204 2.537 -14.463 1.00 72.34 H new ATOM 0 HB2 GLU A 120 3.542 3.831 -12.808 1.00 2.22 H new ATOM 0 HB3 GLU A 120 2.467 4.867 -13.725 1.00 2.22 H new ATOM 0 HG2 GLU A 120 0.923 5.052 -11.834 1.00 1.11 H new ATOM 0 HG3 GLU A 120 1.819 3.853 -10.923 1.00 1.11 H new ATOM 1882 N TYR A 121 1.075 1.641 -11.466 1.00 52.12 N ATOM 1883 CA TYR A 121 1.094 0.598 -10.427 1.00 1.14 C ATOM 1884 C TYR A 121 0.475 -0.713 -10.946 1.00 55.31 C ATOM 1885 O TYR A 121 1.111 -1.759 -10.929 1.00 52.52 O ATOM 1886 CB TYR A 121 0.352 1.081 -9.154 1.00 21.52 C ATOM 1887 CG TYR A 121 0.229 0.005 -8.057 1.00 20.12 C ATOM 1888 CD1 TYR A 121 1.362 -0.648 -7.562 1.00 51.00 C ATOM 1889 CD2 TYR A 121 -1.010 -0.367 -7.537 1.00 54.11 C ATOM 1890 CE1 TYR A 121 1.258 -1.630 -6.600 1.00 0.32 C ATOM 1891 CE2 TYR A 121 -1.109 -1.342 -6.568 1.00 74.12 C ATOM 1892 CZ TYR A 121 0.022 -1.970 -6.109 1.00 42.42 C ATOM 1893 OH TYR A 121 -0.082 -2.941 -5.144 1.00 50.44 O ATOM 0 H TYR A 121 0.368 2.360 -11.311 1.00 52.12 H new ATOM 0 HA TYR A 121 2.135 0.402 -10.169 1.00 1.14 H new ATOM 0 HB2 TYR A 121 0.877 1.945 -8.745 1.00 21.52 H new ATOM 0 HB3 TYR A 121 -0.647 1.417 -9.433 1.00 21.52 H new ATOM 0 HD1 TYR A 121 2.337 -0.378 -7.940 1.00 51.00 H new ATOM 0 HD2 TYR A 121 -1.906 0.116 -7.899 1.00 54.11 H new ATOM 0 HE1 TYR A 121 2.144 -2.129 -6.235 1.00 0.32 H new ATOM 0 HE2 TYR A 121 -2.076 -1.612 -6.170 1.00 74.12 H new ATOM 0 HH TYR A 121 -0.631 -2.609 -4.404 1.00 50.44 H new ATOM 1903 N THR A 122 -0.742 -0.624 -11.475 1.00 3.23 N ATOM 1904 CA THR A 122 -1.539 -1.801 -11.885 1.00 73.45 C ATOM 1905 C THR A 122 -1.059 -2.402 -13.257 1.00 12.31 C ATOM 1906 O THR A 122 -1.718 -3.258 -13.852 1.00 22.25 O ATOM 1907 CB THR A 122 -3.063 -1.414 -11.913 1.00 73.12 C ATOM 1908 OG1 THR A 122 -3.400 -0.718 -10.703 1.00 52.24 O ATOM 1909 CG2 THR A 122 -3.989 -2.637 -12.035 1.00 34.04 C ATOM 0 H THR A 122 -1.215 0.265 -11.637 1.00 3.23 H new ATOM 0 HA THR A 122 -1.389 -2.592 -11.150 1.00 73.45 H new ATOM 0 HB THR A 122 -3.212 -0.788 -12.793 1.00 73.12 H new ATOM 0 HG1 THR A 122 -3.091 0.210 -10.763 1.00 52.24 H new ATOM 0 HG21 THR A 122 -5.028 -2.307 -12.049 1.00 34.04 H new ATOM 0 HG22 THR A 122 -3.766 -3.172 -12.958 1.00 34.04 H new ATOM 0 HG23 THR A 122 -3.831 -3.300 -11.184 1.00 34.04 H new ATOM 1917 N GLU A 123 0.127 -1.979 -13.745 1.00 43.33 N ATOM 1918 CA GLU A 123 0.777 -2.583 -14.936 1.00 72.31 C ATOM 1919 C GLU A 123 2.245 -2.970 -14.637 1.00 53.15 C ATOM 1920 O GLU A 123 2.611 -4.144 -14.781 1.00 30.43 O ATOM 1921 CB GLU A 123 0.677 -1.636 -16.158 1.00 43.21 C ATOM 1922 CG GLU A 123 -0.764 -1.436 -16.674 1.00 11.13 C ATOM 1923 CD GLU A 123 -0.838 -0.598 -17.955 1.00 73.05 C ATOM 1924 OE1 GLU A 123 -0.554 -1.142 -19.046 1.00 73.43 O ATOM 1925 OE2 GLU A 123 -1.171 0.606 -17.883 1.00 23.41 O ATOM 0 H GLU A 123 0.660 -1.215 -13.330 1.00 43.33 H new ATOM 0 HA GLU A 123 0.243 -3.501 -15.183 1.00 72.31 H new ATOM 0 HB2 GLU A 123 1.095 -0.666 -15.889 1.00 43.21 H new ATOM 0 HB3 GLU A 123 1.290 -2.035 -16.966 1.00 43.21 H new ATOM 0 HG2 GLU A 123 -1.215 -2.411 -16.859 1.00 11.13 H new ATOM 0 HG3 GLU A 123 -1.357 -0.953 -15.897 1.00 11.13 H new ATOM 1932 N SER A 124 3.081 -1.994 -14.203 1.00 64.01 N ATOM 1933 CA SER A 124 4.519 -2.258 -13.861 1.00 12.42 C ATOM 1934 C SER A 124 4.648 -3.149 -12.602 1.00 32.32 C ATOM 1935 O SER A 124 5.621 -3.891 -12.453 1.00 22.45 O ATOM 1936 CB SER A 124 5.305 -0.937 -13.644 1.00 35.21 C ATOM 1937 OG SER A 124 6.680 -1.177 -13.332 1.00 2.33 O ATOM 0 H SER A 124 2.796 -1.022 -14.079 1.00 64.01 H new ATOM 0 HA SER A 124 4.950 -2.787 -14.711 1.00 12.42 H new ATOM 0 HB2 SER A 124 5.239 -0.324 -14.543 1.00 35.21 H new ATOM 0 HB3 SER A 124 4.844 -0.369 -12.836 1.00 35.21 H new ATOM 0 HG SER A 124 7.141 -0.321 -13.204 1.00 2.33 H new ATOM 1943 N PHE A 125 3.677 -3.024 -11.682 1.00 22.13 N ATOM 1944 CA PHE A 125 3.563 -3.891 -10.480 1.00 22.14 C ATOM 1945 C PHE A 125 2.321 -4.825 -10.598 1.00 22.03 C ATOM 1946 O PHE A 125 2.137 -5.701 -9.768 1.00 42.02 O ATOM 1947 CB PHE A 125 3.437 -3.028 -9.190 1.00 52.04 C ATOM 1948 CG PHE A 125 4.476 -1.903 -9.013 1.00 51.52 C ATOM 1949 CD1 PHE A 125 4.417 -0.736 -9.781 1.00 64.51 C ATOM 1950 CD2 PHE A 125 5.484 -1.997 -8.062 1.00 73.04 C ATOM 1951 CE1 PHE A 125 5.332 0.284 -9.605 1.00 11.42 C ATOM 1952 CE2 PHE A 125 6.395 -0.968 -7.881 1.00 24.15 C ATOM 1953 CZ PHE A 125 6.320 0.168 -8.652 1.00 74.42 C ATOM 0 H PHE A 125 2.943 -2.319 -11.744 1.00 22.13 H new ATOM 0 HA PHE A 125 4.466 -4.498 -10.417 1.00 22.14 H new ATOM 0 HB2 PHE A 125 2.443 -2.581 -9.174 1.00 52.04 H new ATOM 0 HB3 PHE A 125 3.502 -3.691 -8.328 1.00 52.04 H new ATOM 0 HD1 PHE A 125 3.642 -0.630 -10.526 1.00 64.51 H new ATOM 0 HD2 PHE A 125 5.559 -2.886 -7.454 1.00 73.04 H new ATOM 0 HE1 PHE A 125 5.273 1.173 -10.215 1.00 11.42 H new ATOM 0 HE2 PHE A 125 7.167 -1.059 -7.131 1.00 24.15 H new ATOM 0 HZ PHE A 125 7.033 0.967 -8.511 1.00 74.42 H new ATOM 1963 N GLY A 126 1.445 -4.577 -11.601 1.00 42.10 N ATOM 1964 CA GLY A 126 0.262 -5.431 -11.864 1.00 73.11 C ATOM 1965 C GLY A 126 -0.732 -5.554 -10.690 1.00 71.42 C ATOM 1966 O GLY A 126 -0.667 -4.793 -9.718 1.00 31.21 O ATOM 0 H GLY A 126 1.536 -3.790 -12.243 1.00 42.10 H new ATOM 0 HA2 GLY A 126 -0.269 -5.033 -12.729 1.00 73.11 H new ATOM 0 HA3 GLY A 126 0.607 -6.429 -12.134 1.00 73.11 H new ATOM 1970 N ASP A 127 -1.697 -6.486 -10.810 1.00 20.02 N ATOM 1971 CA ASP A 127 -2.567 -6.891 -9.678 1.00 52.21 C ATOM 1972 C ASP A 127 -1.928 -8.062 -8.866 1.00 52.23 C ATOM 1973 O ASP A 127 -2.264 -8.278 -7.695 1.00 23.23 O ATOM 1974 CB ASP A 127 -3.988 -7.265 -10.189 1.00 73.42 C ATOM 1975 CG ASP A 127 -4.018 -8.545 -11.042 1.00 55.11 C ATOM 1976 OD1 ASP A 127 -3.369 -8.572 -12.111 1.00 33.11 O ATOM 1977 OD2 ASP A 127 -4.676 -9.534 -10.638 1.00 5.21 O ATOM 0 H ASP A 127 -1.898 -6.977 -11.681 1.00 20.02 H new ATOM 0 HA ASP A 127 -2.664 -6.042 -9.002 1.00 52.21 H new ATOM 0 HB2 ASP A 127 -4.651 -7.393 -9.333 1.00 73.42 H new ATOM 0 HB3 ASP A 127 -4.383 -6.437 -10.777 1.00 73.42 H new ATOM 1982 N ASN A 128 -1.004 -8.813 -9.507 1.00 42.01 N ATOM 1983 CA ASN A 128 -0.404 -10.052 -8.938 1.00 2.53 C ATOM 1984 C ASN A 128 1.013 -9.850 -8.350 1.00 63.22 C ATOM 1985 O ASN A 128 1.459 -10.663 -7.542 1.00 31.52 O ATOM 1986 CB ASN A 128 -0.360 -11.158 -10.025 1.00 31.04 C ATOM 1987 CG ASN A 128 -1.746 -11.617 -10.499 1.00 73.41 C ATOM 1988 OD1 ASN A 128 -2.723 -11.675 -9.603 1.00 33.11 O flip ATOM 1989 ND2 ASN A 128 -1.932 -11.958 -11.662 1.00 72.12 N flip ATOM 0 H ASN A 128 -0.650 -8.581 -10.435 1.00 42.01 H new ATOM 0 HA ASN A 128 -1.044 -10.347 -8.107 1.00 2.53 H new ATOM 0 HB2 ASN A 128 0.203 -10.789 -10.882 1.00 31.04 H new ATOM 0 HB3 ASN A 128 0.183 -12.018 -9.633 1.00 31.04 H new ATOM 0 HD21 ASN A 128 -1.169 -11.906 -12.337 1.00 72.12 H new ATOM 0 HD22 ASN A 128 -2.850 -12.293 -11.955 1.00 72.12 H new ATOM 1996 N VAL A 129 1.716 -8.785 -8.747 1.00 74.43 N ATOM 1997 CA VAL A 129 3.125 -8.557 -8.327 1.00 13.34 C ATOM 1998 C VAL A 129 3.187 -7.537 -7.153 1.00 31.24 C ATOM 1999 O VAL A 129 2.405 -6.580 -7.099 1.00 41.21 O ATOM 2000 CB VAL A 129 4.028 -8.089 -9.537 1.00 55.23 C ATOM 2001 CG1 VAL A 129 5.514 -7.947 -9.132 1.00 42.14 C ATOM 2002 CG2 VAL A 129 3.866 -9.034 -10.757 1.00 24.14 C ATOM 0 H VAL A 129 1.343 -8.060 -9.359 1.00 74.43 H new ATOM 0 HA VAL A 129 3.525 -9.508 -7.977 1.00 13.34 H new ATOM 0 HB VAL A 129 3.681 -7.098 -9.831 1.00 55.23 H new ATOM 0 HG11 VAL A 129 6.097 -7.624 -9.994 1.00 42.14 H new ATOM 0 HG12 VAL A 129 5.605 -7.209 -8.335 1.00 42.14 H new ATOM 0 HG13 VAL A 129 5.889 -8.908 -8.781 1.00 42.14 H new ATOM 0 HG21 VAL A 129 4.499 -8.686 -11.573 1.00 24.14 H new ATOM 0 HG22 VAL A 129 4.160 -10.045 -10.475 1.00 24.14 H new ATOM 0 HG23 VAL A 129 2.825 -9.035 -11.081 1.00 24.14 H new ATOM 2012 N VAL A 130 4.107 -7.787 -6.207 1.00 12.42 N ATOM 2013 CA VAL A 130 4.283 -6.981 -4.978 1.00 40.44 C ATOM 2014 C VAL A 130 5.025 -5.653 -5.291 1.00 43.35 C ATOM 2015 O VAL A 130 5.992 -5.660 -6.075 1.00 12.11 O ATOM 2016 CB VAL A 130 5.108 -7.802 -3.893 1.00 20.33 C ATOM 2017 CG1 VAL A 130 5.381 -6.974 -2.606 1.00 63.20 C ATOM 2018 CG2 VAL A 130 4.396 -9.132 -3.540 1.00 11.40 C ATOM 0 H VAL A 130 4.762 -8.566 -6.272 1.00 12.42 H new ATOM 0 HA VAL A 130 3.294 -6.749 -4.583 1.00 40.44 H new ATOM 0 HB VAL A 130 6.074 -8.031 -4.343 1.00 20.33 H new ATOM 0 HG11 VAL A 130 5.947 -7.579 -1.897 1.00 63.20 H new ATOM 0 HG12 VAL A 130 5.955 -6.083 -2.861 1.00 63.20 H new ATOM 0 HG13 VAL A 130 4.433 -6.679 -2.156 1.00 63.20 H new ATOM 0 HG21 VAL A 130 4.982 -9.672 -2.796 1.00 11.40 H new ATOM 0 HG22 VAL A 130 3.406 -8.919 -3.137 1.00 11.40 H new ATOM 0 HG23 VAL A 130 4.298 -9.742 -4.438 1.00 11.40 H new ATOM 2028 N PRO A 131 4.568 -4.485 -4.697 1.00 63.53 N ATOM 2029 CA PRO A 131 5.323 -3.203 -4.730 1.00 44.43 C ATOM 2030 C PRO A 131 6.805 -3.365 -4.295 1.00 22.33 C ATOM 2031 O PRO A 131 7.132 -4.208 -3.456 1.00 22.11 O ATOM 2032 CB PRO A 131 4.532 -2.274 -3.746 1.00 53.32 C ATOM 2033 CG PRO A 131 3.591 -3.191 -3.018 1.00 30.25 C ATOM 2034 CD PRO A 131 3.270 -4.298 -3.996 1.00 13.23 C ATOM 0 HA PRO A 131 5.386 -2.798 -5.740 1.00 44.43 H new ATOM 0 HB2 PRO A 131 5.205 -1.768 -3.054 1.00 53.32 H new ATOM 0 HB3 PRO A 131 3.989 -1.499 -4.286 1.00 53.32 H new ATOM 0 HG2 PRO A 131 4.051 -3.588 -2.113 1.00 30.25 H new ATOM 0 HG3 PRO A 131 2.688 -2.664 -2.711 1.00 30.25 H new ATOM 0 HD2 PRO A 131 2.946 -5.207 -3.490 1.00 13.23 H new ATOM 0 HD3 PRO A 131 2.473 -4.015 -4.684 1.00 13.23 H new ATOM 2042 N TYR A 132 7.692 -2.578 -4.909 1.00 44.32 N ATOM 2043 CA TYR A 132 9.132 -2.576 -4.586 1.00 4.44 C ATOM 2044 C TYR A 132 9.679 -1.140 -4.575 1.00 13.41 C ATOM 2045 O TYR A 132 9.176 -0.266 -5.298 1.00 41.41 O ATOM 2046 CB TYR A 132 9.926 -3.476 -5.583 1.00 53.11 C ATOM 2047 CG TYR A 132 9.692 -3.165 -7.082 1.00 3.25 C ATOM 2048 CD1 TYR A 132 10.463 -2.216 -7.768 1.00 51.31 C ATOM 2049 CD2 TYR A 132 8.695 -3.832 -7.806 1.00 65.11 C ATOM 2050 CE1 TYR A 132 10.245 -1.947 -9.107 1.00 62.12 C ATOM 2051 CE2 TYR A 132 8.479 -3.565 -9.146 1.00 22.13 C ATOM 2052 CZ TYR A 132 9.254 -2.625 -9.791 1.00 25.42 C ATOM 2053 OH TYR A 132 9.036 -2.361 -11.125 1.00 72.24 O ATOM 0 H TYR A 132 7.437 -1.921 -5.646 1.00 44.32 H new ATOM 0 HA TYR A 132 9.262 -2.994 -3.588 1.00 4.44 H new ATOM 0 HB2 TYR A 132 10.990 -3.376 -5.369 1.00 53.11 H new ATOM 0 HB3 TYR A 132 9.660 -4.517 -5.399 1.00 53.11 H new ATOM 0 HD1 TYR A 132 11.242 -1.685 -7.241 1.00 51.31 H new ATOM 0 HD2 TYR A 132 8.083 -4.569 -7.308 1.00 65.11 H new ATOM 0 HE1 TYR A 132 10.847 -1.209 -9.616 1.00 62.12 H new ATOM 0 HE2 TYR A 132 7.705 -4.091 -9.685 1.00 22.13 H new ATOM 0 HH TYR A 132 8.305 -2.924 -11.455 1.00 72.24 H new ATOM 2063 N PHE A 133 10.699 -0.900 -3.730 1.00 60.21 N ATOM 2064 CA PHE A 133 11.466 0.353 -3.772 1.00 22.23 C ATOM 2065 C PHE A 133 12.350 0.361 -5.043 1.00 30.13 C ATOM 2066 O PHE A 133 12.995 -0.644 -5.371 1.00 31.14 O ATOM 2067 CB PHE A 133 12.322 0.538 -2.494 1.00 75.21 C ATOM 2068 CG PHE A 133 13.114 1.853 -2.466 1.00 55.34 C ATOM 2069 CD1 PHE A 133 12.482 3.059 -2.148 1.00 51.21 C ATOM 2070 CD2 PHE A 133 14.477 1.888 -2.781 1.00 2.52 C ATOM 2071 CE1 PHE A 133 13.187 4.249 -2.141 1.00 63.12 C ATOM 2072 CE2 PHE A 133 15.177 3.082 -2.777 1.00 24.01 C ATOM 2073 CZ PHE A 133 14.534 4.260 -2.457 1.00 72.45 C ATOM 0 H PHE A 133 11.008 -1.557 -3.013 1.00 60.21 H new ATOM 0 HA PHE A 133 10.772 1.193 -3.810 1.00 22.23 H new ATOM 0 HB2 PHE A 133 11.670 0.499 -1.622 1.00 75.21 H new ATOM 0 HB3 PHE A 133 13.018 -0.297 -2.410 1.00 75.21 H new ATOM 0 HD1 PHE A 133 11.430 3.061 -1.905 1.00 51.21 H new ATOM 0 HD2 PHE A 133 14.990 0.971 -3.031 1.00 2.52 H new ATOM 0 HE1 PHE A 133 12.685 5.171 -1.888 1.00 63.12 H new ATOM 0 HE2 PHE A 133 16.228 3.092 -3.025 1.00 24.01 H new ATOM 0 HZ PHE A 133 15.082 5.191 -2.453 1.00 72.45 H new