USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=31 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 99 HIS :FLIP no HE2:sc= 0.428 F(o=-0.27,f=0.91) USER MOD Set 1.2: A 114 SER OG : rot -130:sc= 0.483 USER MOD Set 2.1: A 71 ASN :FLIP amide:sc= 0.00215 X(o=0,f=0.004) USER MOD Set 2.2: A 72 ASN :FLIP amide:sc= 0.00186 F(o=-1.2,f=0.004) USER MOD Set 3.1: A 64 TYR OH : rot 18:sc= 0.113 USER MOD Set 3.2: A 84 HIS : no HD1:sc= -0.507 K(o=-0.39,f=-1) USER MOD Set 4.1: A 30 TYR OH : rot 100:sc= -0.146 USER MOD Set 4.2: A 32 MET CE :methyl 135:sc= -0.41 (180deg=-0.837) USER MOD Single : A 10 SER OG : rot -114:sc= -0.0312 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.45 K(o=-0.45,f=-6.4!) USER MOD Single : A 22 TYR OH : rot -135:sc= 0.26 USER MOD Single : A 24 GLN : amide:sc= -1 X(o=-1,f=-0.77) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 28:sc= 0.203 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 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -79:sc= 0.963 USER MOD Single : A 67 LYS NZ :NH3+ 172:sc=-0.00659 (180deg=-0.0728) USER MOD Single : A 70 HIS : no HD1:sc= -0.271 K(o=-0.27,f=-0.89) USER MOD Single : A 74 HIS :FLIP no HE2:sc= -0.0396 F(o=-1.9!,f=-0.04) USER MOD Single : A 75 ASN : amide:sc= -0.0369 K(o=-0.037,f=-0.56) USER MOD Single : A 81 ASN : amide:sc= -0.27 K(o=-0.27,f=-5.2!) USER MOD Single : A 83 LYS NZ :NH3+ -155:sc= -1.28 (180deg=-2.69!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 102 THR OG1 : rot 77:sc= 0.568 USER MOD Single : A 103 TYR OH : rot 86:sc= 1.36 USER MOD Single : A 104 HIS : no HD1:sc= -0.249 X(o=-0.25,f=0.053) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.81) USER MOD Single : A 115 TYR OH : rot -63:sc= -1.08 USER MOD Single : A 118 SER OG : rot 150:sc= -1.48! USER MOD Single : A 121 TYR OH : rot 30:sc= -0.949 USER MOD Single : A 122 THR OG1 : rot 73:sc= 0.829 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0.0442 X(o=0.044,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 10.867 -8.810 -9.757 1.00 74.43 N ATOM 21 CA PRO A 2 9.623 -8.593 -8.938 1.00 20.10 C ATOM 22 C PRO A 2 9.025 -9.920 -8.369 1.00 34.14 C ATOM 23 O PRO A 2 9.415 -11.011 -8.789 1.00 70.04 O ATOM 24 CB PRO A 2 8.639 -7.911 -9.938 1.00 34.22 C ATOM 25 CG PRO A 2 9.505 -7.417 -11.061 1.00 24.42 C ATOM 26 CD PRO A 2 10.623 -8.425 -11.176 1.00 54.22 C ATOM 0 HA PRO A 2 9.825 -7.992 -8.051 1.00 20.10 H new ATOM 0 HB2 PRO A 2 7.890 -8.617 -10.298 1.00 34.22 H new ATOM 0 HB3 PRO A 2 8.101 -7.090 -9.464 1.00 34.22 H new ATOM 0 HG2 PRO A 2 8.941 -7.348 -11.991 1.00 24.42 H new ATOM 0 HG3 PRO A 2 9.894 -6.421 -10.849 1.00 24.42 H new ATOM 0 HD2 PRO A 2 10.334 -9.282 -11.784 1.00 54.22 H new ATOM 0 HD3 PRO A 2 11.511 -7.993 -11.637 1.00 54.22 H new ATOM 34 N LEU A 3 8.090 -9.814 -7.399 1.00 21.13 N ATOM 35 CA LEU A 3 7.424 -10.997 -6.779 1.00 71.23 C ATOM 36 C LEU A 3 5.941 -11.038 -7.227 1.00 10.03 C ATOM 37 O LEU A 3 5.206 -10.103 -6.962 1.00 44.52 O ATOM 38 CB LEU A 3 7.542 -10.940 -5.212 1.00 21.43 C ATOM 39 CG LEU A 3 7.736 -12.309 -4.458 1.00 65.12 C ATOM 40 CD1 LEU A 3 7.680 -12.122 -2.929 1.00 4.02 C ATOM 41 CD2 LEU A 3 6.735 -13.394 -4.921 1.00 0.44 C ATOM 0 H LEU A 3 7.774 -8.920 -7.023 1.00 21.13 H new ATOM 0 HA LEU A 3 7.919 -11.909 -7.111 1.00 71.23 H new ATOM 0 HB2 LEU A 3 8.381 -10.292 -4.959 1.00 21.43 H new ATOM 0 HB3 LEU A 3 6.643 -10.463 -4.822 1.00 21.43 H new ATOM 0 HG LEU A 3 8.731 -12.666 -4.722 1.00 65.12 H new ATOM 0 HD11 LEU A 3 7.817 -13.086 -2.439 1.00 4.02 H new ATOM 0 HD12 LEU A 3 8.471 -11.440 -2.617 1.00 4.02 H new ATOM 0 HD13 LEU A 3 6.712 -11.707 -2.648 1.00 4.02 H new ATOM 0 HD21 LEU A 3 6.916 -14.316 -4.368 1.00 0.44 H new ATOM 0 HD22 LEU A 3 5.717 -13.053 -4.735 1.00 0.44 H new ATOM 0 HD23 LEU A 3 6.867 -13.579 -5.987 1.00 0.44 H new ATOM 53 N GLU A 4 5.507 -12.131 -7.878 1.00 54.15 N ATOM 54 CA GLU A 4 4.114 -12.271 -8.397 1.00 41.35 C ATOM 55 C GLU A 4 3.354 -13.426 -7.708 1.00 1.42 C ATOM 56 O GLU A 4 3.929 -14.493 -7.456 1.00 4.32 O ATOM 57 CB GLU A 4 4.120 -12.524 -9.935 1.00 11.33 C ATOM 58 CG GLU A 4 2.706 -12.651 -10.561 1.00 12.22 C ATOM 59 CD GLU A 4 2.717 -13.008 -12.058 1.00 54.13 C ATOM 60 OE1 GLU A 4 3.025 -14.175 -12.392 1.00 23.42 O ATOM 61 OE2 GLU A 4 2.400 -12.138 -12.902 1.00 72.14 O ATOM 0 H GLU A 4 6.097 -12.942 -8.064 1.00 54.15 H new ATOM 0 HA GLU A 4 3.603 -11.334 -8.175 1.00 41.35 H new ATOM 0 HB2 GLU A 4 4.651 -11.707 -10.425 1.00 11.33 H new ATOM 0 HB3 GLU A 4 4.680 -13.436 -10.140 1.00 11.33 H new ATOM 0 HG2 GLU A 4 2.147 -13.414 -10.020 1.00 12.22 H new ATOM 0 HG3 GLU A 4 2.174 -11.710 -10.426 1.00 12.22 H new ATOM 68 N TRP A 5 2.058 -13.201 -7.398 1.00 11.41 N ATOM 69 CA TRP A 5 1.120 -14.292 -7.070 1.00 62.33 C ATOM 70 C TRP A 5 0.258 -14.661 -8.292 1.00 22.31 C ATOM 71 O TRP A 5 -0.276 -13.786 -8.985 1.00 30.54 O ATOM 72 CB TRP A 5 0.177 -13.944 -5.887 1.00 12.04 C ATOM 73 CG TRP A 5 -0.581 -15.160 -5.401 1.00 61.32 C ATOM 74 CD1 TRP A 5 -0.034 -16.266 -4.817 1.00 0.42 C ATOM 75 CD2 TRP A 5 -1.988 -15.416 -5.490 1.00 65.43 C ATOM 76 NE1 TRP A 5 -1.003 -17.188 -4.554 1.00 63.13 N ATOM 77 CE2 TRP A 5 -2.211 -16.692 -4.943 1.00 1.14 C ATOM 78 CE3 TRP A 5 -3.080 -14.689 -5.968 1.00 2.00 C ATOM 79 CZ2 TRP A 5 -3.473 -17.265 -4.876 1.00 72.43 C ATOM 80 CZ3 TRP A 5 -4.336 -15.261 -5.898 1.00 24.32 C ATOM 81 CH2 TRP A 5 -4.523 -16.535 -5.352 1.00 22.43 C ATOM 0 H TRP A 5 1.639 -12.271 -7.369 1.00 11.41 H new ATOM 0 HA TRP A 5 1.741 -15.138 -6.774 1.00 62.33 H new ATOM 0 HB2 TRP A 5 0.761 -13.527 -5.066 1.00 12.04 H new ATOM 0 HB3 TRP A 5 -0.530 -13.175 -6.199 1.00 12.04 H new ATOM 0 HD1 TRP A 5 1.015 -16.392 -4.595 1.00 0.42 H new ATOM 0 HE1 TRP A 5 -0.848 -18.104 -4.133 1.00 63.13 H new ATOM 0 HE3 TRP A 5 -2.946 -13.701 -6.383 1.00 2.00 H new ATOM 0 HZ2 TRP A 5 -3.619 -18.252 -4.463 1.00 72.43 H new ATOM 0 HZ3 TRP A 5 -5.189 -14.714 -6.272 1.00 24.32 H new ATOM 0 HH2 TRP A 5 -5.519 -16.950 -5.306 1.00 22.43 H new ATOM 92 N ARG A 6 0.120 -15.967 -8.528 1.00 71.03 N ATOM 93 CA ARG A 6 -0.820 -16.525 -9.515 1.00 50.30 C ATOM 94 C ARG A 6 -1.578 -17.735 -8.918 1.00 60.14 C ATOM 95 O ARG A 6 -1.217 -18.244 -7.850 1.00 23.20 O ATOM 96 CB ARG A 6 -0.112 -16.901 -10.852 1.00 43.45 C ATOM 97 CG ARG A 6 1.139 -17.815 -10.747 1.00 55.24 C ATOM 98 CD ARG A 6 2.432 -17.038 -10.418 1.00 4.13 C ATOM 99 NE ARG A 6 3.632 -17.888 -10.521 1.00 13.14 N ATOM 100 CZ ARG A 6 4.776 -17.536 -11.076 1.00 71.05 C ATOM 101 NH1 ARG A 6 4.936 -16.358 -11.618 1.00 41.13 N ATOM 102 NH2 ARG A 6 5.759 -18.373 -11.087 1.00 43.54 N ATOM 0 H ARG A 6 0.661 -16.678 -8.037 1.00 71.03 H new ATOM 0 HA ARG A 6 -1.547 -15.748 -9.754 1.00 50.30 H new ATOM 0 HB2 ARG A 6 -0.840 -17.394 -11.495 1.00 43.45 H new ATOM 0 HB3 ARG A 6 0.182 -15.978 -11.352 1.00 43.45 H new ATOM 0 HG2 ARG A 6 0.968 -18.567 -9.977 1.00 55.24 H new ATOM 0 HG3 ARG A 6 1.272 -18.348 -11.689 1.00 55.24 H new ATOM 0 HD2 ARG A 6 2.529 -16.192 -11.098 1.00 4.13 H new ATOM 0 HD3 ARG A 6 2.363 -16.630 -9.409 1.00 4.13 H new ATOM 0 HE ARG A 6 3.573 -18.828 -10.130 1.00 13.14 H new ATOM 0 HH11 ARG A 6 4.167 -15.688 -11.618 1.00 41.13 H new ATOM 0 HH12 ARG A 6 5.830 -16.108 -12.041 1.00 41.13 H new ATOM 0 HH21 ARG A 6 5.647 -19.297 -10.669 1.00 43.54 H new ATOM 0 HH22 ARG A 6 6.648 -18.111 -11.514 1.00 43.54 H new ATOM 116 N ALA A 7 -2.623 -18.186 -9.630 1.00 3.13 N ATOM 117 CA ALA A 7 -3.468 -19.321 -9.192 1.00 53.52 C ATOM 118 C ALA A 7 -2.674 -20.654 -9.231 1.00 52.45 C ATOM 119 O ALA A 7 -1.868 -20.875 -10.142 1.00 22.24 O ATOM 120 CB ALA A 7 -4.727 -19.405 -10.057 1.00 65.33 C ATOM 0 H ALA A 7 -2.909 -17.781 -10.521 1.00 3.13 H new ATOM 0 HA ALA A 7 -3.770 -19.149 -8.159 1.00 53.52 H new ATOM 0 HB1 ALA A 7 -5.341 -20.243 -9.726 1.00 65.33 H new ATOM 0 HB2 ALA A 7 -5.295 -18.480 -9.963 1.00 65.33 H new ATOM 0 HB3 ALA A 7 -4.443 -19.552 -11.099 1.00 65.33 H new ATOM 126 N GLY A 8 -2.904 -21.525 -8.232 1.00 41.34 N ATOM 127 CA GLY A 8 -2.157 -22.793 -8.099 1.00 45.21 C ATOM 128 C GLY A 8 -0.887 -22.695 -7.233 1.00 61.43 C ATOM 129 O GLY A 8 -0.229 -23.714 -6.992 1.00 71.32 O ATOM 0 H GLY A 8 -3.602 -21.375 -7.503 1.00 41.34 H new ATOM 0 HA2 GLY A 8 -2.817 -23.546 -7.670 1.00 45.21 H new ATOM 0 HA3 GLY A 8 -1.878 -23.142 -9.093 1.00 45.21 H new ATOM 133 N ALA A 9 -0.540 -21.476 -6.768 1.00 33.33 N ATOM 134 CA ALA A 9 0.643 -21.242 -5.895 1.00 34.01 C ATOM 135 C ALA A 9 0.460 -21.846 -4.477 1.00 35.15 C ATOM 136 O ALA A 9 -0.664 -21.901 -3.958 1.00 2.14 O ATOM 137 CB ALA A 9 0.930 -19.733 -5.802 1.00 50.22 C ATOM 0 H ALA A 9 -1.065 -20.628 -6.982 1.00 33.33 H new ATOM 0 HA ALA A 9 1.493 -21.751 -6.349 1.00 34.01 H new ATOM 0 HB1 ALA A 9 1.797 -19.566 -5.162 1.00 50.22 H new ATOM 0 HB2 ALA A 9 1.133 -19.339 -6.798 1.00 50.22 H new ATOM 0 HB3 ALA A 9 0.064 -19.223 -5.380 1.00 50.22 H new ATOM 143 N SER A 10 1.582 -22.273 -3.852 1.00 51.40 N ATOM 144 CA SER A 10 1.585 -22.867 -2.482 1.00 11.13 C ATOM 145 C SER A 10 1.627 -21.763 -1.405 1.00 51.13 C ATOM 146 O SER A 10 2.019 -20.622 -1.685 1.00 72.35 O ATOM 147 CB SER A 10 2.788 -23.839 -2.294 1.00 44.02 C ATOM 148 OG SER A 10 2.823 -24.401 -0.982 1.00 3.43 O ATOM 0 H SER A 10 2.509 -22.219 -4.275 1.00 51.40 H new ATOM 0 HA SER A 10 0.661 -23.434 -2.368 1.00 11.13 H new ATOM 0 HB2 SER A 10 2.725 -24.641 -3.030 1.00 44.02 H new ATOM 0 HB3 SER A 10 3.719 -23.305 -2.484 1.00 44.02 H new ATOM 0 HG SER A 10 3.624 -24.087 -0.513 1.00 3.43 H new ATOM 154 N SER A 11 1.258 -22.138 -0.163 1.00 44.22 N ATOM 155 CA SER A 11 1.164 -21.207 0.994 1.00 51.43 C ATOM 156 C SER A 11 2.516 -20.528 1.311 1.00 4.12 C ATOM 157 O SER A 11 2.534 -19.428 1.833 1.00 24.32 O ATOM 158 CB SER A 11 0.631 -21.944 2.249 1.00 43.53 C ATOM 159 OG SER A 11 1.501 -22.995 2.645 1.00 21.20 O ATOM 0 H SER A 11 1.014 -23.100 0.073 1.00 44.22 H new ATOM 0 HA SER A 11 0.461 -20.423 0.713 1.00 51.43 H new ATOM 0 HB2 SER A 11 0.519 -21.234 3.069 1.00 43.53 H new ATOM 0 HB3 SER A 11 -0.359 -22.349 2.041 1.00 43.53 H new ATOM 0 HG SER A 11 1.138 -23.439 3.440 1.00 21.20 H new ATOM 165 N ASP A 12 3.631 -21.203 0.972 1.00 2.20 N ATOM 166 CA ASP A 12 5.005 -20.666 1.140 1.00 71.41 C ATOM 167 C ASP A 12 5.225 -19.380 0.310 1.00 15.01 C ATOM 168 O ASP A 12 5.709 -18.368 0.834 1.00 31.54 O ATOM 169 CB ASP A 12 6.039 -21.743 0.741 1.00 31.21 C ATOM 170 CG ASP A 12 5.916 -22.996 1.613 1.00 2.44 C ATOM 171 OD1 ASP A 12 5.084 -23.876 1.299 1.00 11.41 O ATOM 172 OD2 ASP A 12 6.621 -23.087 2.644 1.00 73.14 O ATOM 0 H ASP A 12 3.609 -22.141 0.572 1.00 2.20 H new ATOM 0 HA ASP A 12 5.137 -20.404 2.190 1.00 71.41 H new ATOM 0 HB2 ASP A 12 5.898 -22.013 -0.306 1.00 31.21 H new ATOM 0 HB3 ASP A 12 7.045 -21.333 0.832 1.00 31.21 H new ATOM 177 N GLU A 13 4.853 -19.437 -0.990 1.00 20.22 N ATOM 178 CA GLU A 13 4.917 -18.264 -1.899 1.00 53.34 C ATOM 179 C GLU A 13 4.018 -17.131 -1.381 1.00 60.53 C ATOM 180 O GLU A 13 4.443 -15.978 -1.322 1.00 23.14 O ATOM 181 CB GLU A 13 4.514 -18.629 -3.368 1.00 61.03 C ATOM 182 CG GLU A 13 5.539 -19.494 -4.142 1.00 74.24 C ATOM 183 CD GLU A 13 5.738 -20.905 -3.560 1.00 11.34 C ATOM 184 OE1 GLU A 13 4.849 -21.754 -3.754 1.00 52.41 O ATOM 185 OE2 GLU A 13 6.762 -21.155 -2.880 1.00 63.02 O ATOM 0 H GLU A 13 4.504 -20.285 -1.436 1.00 20.22 H new ATOM 0 HA GLU A 13 5.954 -17.930 -1.912 1.00 53.34 H new ATOM 0 HB2 GLU A 13 3.561 -19.158 -3.345 1.00 61.03 H new ATOM 0 HB3 GLU A 13 4.352 -17.705 -3.923 1.00 61.03 H new ATOM 0 HG2 GLU A 13 5.214 -19.583 -5.179 1.00 74.24 H new ATOM 0 HG3 GLU A 13 6.499 -18.978 -4.152 1.00 74.24 H new ATOM 192 N ILE A 14 2.791 -17.492 -0.965 1.00 54.22 N ATOM 193 CA ILE A 14 1.787 -16.514 -0.497 1.00 53.32 C ATOM 194 C ILE A 14 2.236 -15.817 0.815 1.00 72.31 C ATOM 195 O ILE A 14 2.025 -14.630 0.969 1.00 21.34 O ATOM 196 CB ILE A 14 0.363 -17.161 -0.296 1.00 45.45 C ATOM 197 CG1 ILE A 14 -0.030 -18.019 -1.542 1.00 1.32 C ATOM 198 CG2 ILE A 14 -0.699 -16.063 -0.025 1.00 75.04 C ATOM 199 CD1 ILE A 14 -1.430 -18.626 -1.519 1.00 0.31 C ATOM 0 H ILE A 14 2.468 -18.459 -0.943 1.00 54.22 H new ATOM 0 HA ILE A 14 1.708 -15.765 -1.285 1.00 53.32 H new ATOM 0 HB ILE A 14 0.401 -17.820 0.572 1.00 45.45 H new ATOM 0 HG12 ILE A 14 0.060 -17.395 -2.431 1.00 1.32 H new ATOM 0 HG13 ILE A 14 0.694 -18.827 -1.645 1.00 1.32 H new ATOM 0 HG21 ILE A 14 -1.676 -16.527 0.111 1.00 75.04 H new ATOM 0 HG22 ILE A 14 -0.430 -15.512 0.876 1.00 75.04 H new ATOM 0 HG23 ILE A 14 -0.738 -15.378 -0.872 1.00 75.04 H new ATOM 0 HD11 ILE A 14 -1.593 -19.199 -2.432 1.00 0.31 H new ATOM 0 HD12 ILE A 14 -1.527 -19.284 -0.655 1.00 0.31 H new ATOM 0 HD13 ILE A 14 -2.171 -17.829 -1.454 1.00 0.31 H new ATOM 211 N ASN A 15 2.862 -16.571 1.742 1.00 0.20 N ATOM 212 CA ASN A 15 3.430 -16.013 3.003 1.00 61.11 C ATOM 213 C ASN A 15 4.592 -15.041 2.710 1.00 4.21 C ATOM 214 O ASN A 15 4.738 -14.016 3.381 1.00 53.03 O ATOM 215 CB ASN A 15 3.919 -17.142 3.949 1.00 50.40 C ATOM 216 CG ASN A 15 2.788 -17.990 4.528 1.00 11.24 C ATOM 217 OD1 ASN A 15 1.680 -17.514 4.752 1.00 3.22 O ATOM 218 ND2 ASN A 15 3.064 -19.256 4.788 1.00 24.51 N ATOM 0 H ASN A 15 2.991 -17.578 1.646 1.00 0.20 H new ATOM 0 HA ASN A 15 2.630 -15.464 3.499 1.00 61.11 H new ATOM 0 HB2 ASN A 15 4.604 -17.790 3.403 1.00 50.40 H new ATOM 0 HB3 ASN A 15 4.485 -16.698 4.768 1.00 50.40 H new ATOM 0 HD21 ASN A 15 2.347 -19.863 5.185 1.00 24.51 H new ATOM 0 HD22 ASN A 15 3.994 -19.626 4.592 1.00 24.51 H new ATOM 225 N ALA A 16 5.419 -15.388 1.705 1.00 74.24 N ATOM 226 CA ALA A 16 6.517 -14.517 1.225 1.00 20.54 C ATOM 227 C ALA A 16 5.965 -13.204 0.612 1.00 33.31 C ATOM 228 O ALA A 16 6.586 -12.153 0.717 1.00 20.11 O ATOM 229 CB ALA A 16 7.379 -15.273 0.197 1.00 4.41 C ATOM 0 H ALA A 16 5.348 -16.274 1.204 1.00 74.24 H new ATOM 0 HA ALA A 16 7.138 -14.249 2.079 1.00 20.54 H new ATOM 0 HB1 ALA A 16 8.184 -14.625 -0.150 1.00 4.41 H new ATOM 0 HB2 ALA A 16 7.805 -16.162 0.663 1.00 4.41 H new ATOM 0 HB3 ALA A 16 6.760 -15.568 -0.650 1.00 4.41 H new ATOM 235 N ILE A 17 4.783 -13.307 -0.018 1.00 71.54 N ATOM 236 CA ILE A 17 4.039 -12.169 -0.607 1.00 73.53 C ATOM 237 C ILE A 17 3.363 -11.306 0.480 1.00 5.22 C ATOM 238 O ILE A 17 3.382 -10.083 0.391 1.00 24.34 O ATOM 239 CB ILE A 17 2.994 -12.728 -1.646 1.00 72.24 C ATOM 240 CG1 ILE A 17 3.759 -13.322 -2.871 1.00 12.20 C ATOM 241 CG2 ILE A 17 1.938 -11.681 -2.087 1.00 1.51 C ATOM 242 CD1 ILE A 17 2.950 -14.229 -3.764 1.00 42.51 C ATOM 0 H ILE A 17 4.304 -14.200 -0.137 1.00 71.54 H new ATOM 0 HA ILE A 17 4.738 -11.511 -1.123 1.00 73.53 H new ATOM 0 HB ILE A 17 2.423 -13.513 -1.151 1.00 72.24 H new ATOM 0 HG12 ILE A 17 4.143 -12.498 -3.472 1.00 12.20 H new ATOM 0 HG13 ILE A 17 4.622 -13.878 -2.504 1.00 12.20 H new ATOM 0 HG21 ILE A 17 1.252 -12.135 -2.802 1.00 1.51 H new ATOM 0 HG22 ILE A 17 1.380 -11.338 -1.216 1.00 1.51 H new ATOM 0 HG23 ILE A 17 2.439 -10.833 -2.553 1.00 1.51 H new ATOM 0 HD11 ILE A 17 3.575 -14.586 -4.582 1.00 42.51 H new ATOM 0 HD12 ILE A 17 2.588 -15.079 -3.186 1.00 42.51 H new ATOM 0 HD13 ILE A 17 2.102 -13.678 -4.170 1.00 42.51 H new ATOM 254 N ILE A 18 2.798 -11.953 1.514 1.00 3.33 N ATOM 255 CA ILE A 18 2.220 -11.264 2.690 1.00 35.04 C ATOM 256 C ILE A 18 3.309 -10.400 3.370 1.00 13.22 C ATOM 257 O ILE A 18 3.138 -9.197 3.566 1.00 55.31 O ATOM 258 CB ILE A 18 1.609 -12.301 3.719 1.00 12.34 C ATOM 259 CG1 ILE A 18 0.364 -13.029 3.116 1.00 2.40 C ATOM 260 CG2 ILE A 18 1.246 -11.639 5.068 1.00 72.35 C ATOM 261 CD1 ILE A 18 -0.196 -14.162 3.971 1.00 45.42 C ATOM 0 H ILE A 18 2.727 -12.969 1.562 1.00 3.33 H new ATOM 0 HA ILE A 18 1.408 -10.620 2.352 1.00 35.04 H new ATOM 0 HB ILE A 18 2.384 -13.042 3.915 1.00 12.34 H new ATOM 0 HG12 ILE A 18 -0.424 -12.294 2.952 1.00 2.40 H new ATOM 0 HG13 ILE A 18 0.634 -13.430 2.139 1.00 2.40 H new ATOM 0 HG21 ILE A 18 0.831 -12.389 5.741 1.00 72.35 H new ATOM 0 HG22 ILE A 18 2.142 -11.207 5.514 1.00 72.35 H new ATOM 0 HG23 ILE A 18 0.509 -10.853 4.901 1.00 72.35 H new ATOM 0 HD11 ILE A 18 -1.057 -14.605 3.470 1.00 45.42 H new ATOM 0 HD12 ILE A 18 0.571 -14.923 4.115 1.00 45.42 H new ATOM 0 HD13 ILE A 18 -0.503 -13.769 4.940 1.00 45.42 H new ATOM 273 N ARG A 19 4.452 -11.038 3.661 1.00 21.41 N ATOM 274 CA ARG A 19 5.630 -10.386 4.252 1.00 54.23 C ATOM 275 C ARG A 19 6.263 -9.334 3.310 1.00 51.25 C ATOM 276 O ARG A 19 6.780 -8.329 3.782 1.00 63.30 O ATOM 277 CB ARG A 19 6.665 -11.467 4.670 1.00 44.12 C ATOM 278 CG ARG A 19 8.042 -10.922 5.137 1.00 74.44 C ATOM 279 CD ARG A 19 8.783 -11.879 6.081 1.00 53.50 C ATOM 280 NE ARG A 19 9.098 -13.185 5.471 1.00 34.13 N ATOM 281 CZ ARG A 19 9.876 -14.107 6.007 1.00 52.32 C ATOM 282 NH1 ARG A 19 10.451 -13.921 7.160 1.00 60.33 N ATOM 283 NH2 ARG A 19 10.069 -15.219 5.385 1.00 2.04 N ATOM 0 H ARG A 19 4.586 -12.035 3.490 1.00 21.41 H new ATOM 0 HA ARG A 19 5.303 -9.838 5.136 1.00 54.23 H new ATOM 0 HB2 ARG A 19 6.237 -12.064 5.475 1.00 44.12 H new ATOM 0 HB3 ARG A 19 6.826 -12.138 3.826 1.00 44.12 H new ATOM 0 HG2 ARG A 19 8.665 -10.730 4.263 1.00 74.44 H new ATOM 0 HG3 ARG A 19 7.895 -9.966 5.641 1.00 74.44 H new ATOM 0 HD2 ARG A 19 9.710 -11.408 6.409 1.00 53.50 H new ATOM 0 HD3 ARG A 19 8.175 -12.040 6.971 1.00 53.50 H new ATOM 0 HE ARG A 19 8.682 -13.392 4.563 1.00 34.13 H new ATOM 0 HH11 ARG A 19 10.304 -13.049 7.668 1.00 60.33 H new ATOM 0 HH12 ARG A 19 11.048 -14.647 7.555 1.00 60.33 H new ATOM 0 HH21 ARG A 19 9.622 -15.383 4.483 1.00 2.04 H new ATOM 0 HH22 ARG A 19 10.669 -15.935 5.794 1.00 2.04 H new ATOM 297 N ALA A 20 6.215 -9.569 1.983 1.00 71.30 N ATOM 298 CA ALA A 20 6.729 -8.600 0.975 1.00 51.05 C ATOM 299 C ALA A 20 5.894 -7.299 0.979 1.00 4.23 C ATOM 300 O ALA A 20 6.446 -6.199 0.915 1.00 33.55 O ATOM 301 CB ALA A 20 6.739 -9.228 -0.428 1.00 70.14 C ATOM 0 H ALA A 20 5.826 -10.420 1.577 1.00 71.30 H new ATOM 0 HA ALA A 20 7.754 -8.346 1.247 1.00 51.05 H new ATOM 0 HB1 ALA A 20 7.118 -8.503 -1.148 1.00 70.14 H new ATOM 0 HB2 ALA A 20 7.381 -10.109 -0.428 1.00 70.14 H new ATOM 0 HB3 ALA A 20 5.725 -9.518 -0.704 1.00 70.14 H new ATOM 307 N VAL A 21 4.560 -7.455 1.084 1.00 5.00 N ATOM 308 CA VAL A 21 3.615 -6.330 1.214 1.00 11.43 C ATOM 309 C VAL A 21 3.872 -5.569 2.533 1.00 60.14 C ATOM 310 O VAL A 21 4.097 -4.380 2.520 1.00 65.10 O ATOM 311 CB VAL A 21 2.119 -6.827 1.164 1.00 52.34 C ATOM 312 CG1 VAL A 21 1.118 -5.689 1.497 1.00 63.11 C ATOM 313 CG2 VAL A 21 1.787 -7.462 -0.210 1.00 43.40 C ATOM 0 H VAL A 21 4.106 -8.369 1.081 1.00 5.00 H new ATOM 0 HA VAL A 21 3.777 -5.658 0.371 1.00 11.43 H new ATOM 0 HB VAL A 21 2.012 -7.593 1.932 1.00 52.34 H new ATOM 0 HG11 VAL A 21 0.100 -6.075 1.451 1.00 63.11 H new ATOM 0 HG12 VAL A 21 1.318 -5.311 2.500 1.00 63.11 H new ATOM 0 HG13 VAL A 21 1.233 -4.881 0.775 1.00 63.11 H new ATOM 0 HG21 VAL A 21 0.749 -7.796 -0.215 1.00 43.40 H new ATOM 0 HG22 VAL A 21 1.935 -6.723 -0.998 1.00 43.40 H new ATOM 0 HG23 VAL A 21 2.443 -8.315 -0.385 1.00 43.40 H new ATOM 323 N TYR A 22 3.879 -6.301 3.653 1.00 44.24 N ATOM 324 CA TYR A 22 4.104 -5.740 5.009 1.00 64.14 C ATOM 325 C TYR A 22 5.472 -5.002 5.148 1.00 54.53 C ATOM 326 O TYR A 22 5.546 -3.939 5.772 1.00 23.42 O ATOM 327 CB TYR A 22 3.987 -6.872 6.069 1.00 41.44 C ATOM 328 CG TYR A 22 2.573 -7.122 6.611 1.00 75.53 C ATOM 329 CD1 TYR A 22 2.012 -6.250 7.540 1.00 70.44 C ATOM 330 CD2 TYR A 22 1.810 -8.214 6.207 1.00 50.45 C ATOM 331 CE1 TYR A 22 0.749 -6.458 8.038 1.00 40.13 C ATOM 332 CE2 TYR A 22 0.537 -8.422 6.706 1.00 60.10 C ATOM 333 CZ TYR A 22 0.015 -7.540 7.623 1.00 13.24 C ATOM 334 OH TYR A 22 -1.252 -7.729 8.124 1.00 41.40 O ATOM 0 H TYR A 22 3.728 -7.310 3.654 1.00 44.24 H new ATOM 0 HA TYR A 22 3.333 -4.989 5.178 1.00 64.14 H new ATOM 0 HB2 TYR A 22 4.358 -7.798 5.630 1.00 41.44 H new ATOM 0 HB3 TYR A 22 4.642 -6.631 6.907 1.00 41.44 H new ATOM 0 HD1 TYR A 22 2.580 -5.395 7.875 1.00 70.44 H new ATOM 0 HD2 TYR A 22 2.219 -8.911 5.491 1.00 50.45 H new ATOM 0 HE1 TYR A 22 0.333 -5.768 8.758 1.00 40.13 H new ATOM 0 HE2 TYR A 22 -0.043 -9.272 6.378 1.00 60.10 H new ATOM 0 HH TYR A 22 -1.367 -8.669 8.377 1.00 41.40 H new ATOM 344 N ARG A 23 6.544 -5.577 4.570 1.00 53.12 N ATOM 345 CA ARG A 23 7.906 -4.984 4.612 1.00 55.22 C ATOM 346 C ARG A 23 8.016 -3.726 3.733 1.00 32.10 C ATOM 347 O ARG A 23 8.806 -2.839 4.032 1.00 51.55 O ATOM 348 CB ARG A 23 8.998 -6.025 4.206 1.00 73.31 C ATOM 349 CG ARG A 23 9.546 -6.887 5.389 1.00 44.41 C ATOM 350 CD ARG A 23 11.078 -6.824 5.537 1.00 55.14 C ATOM 351 NE ARG A 23 11.556 -5.433 5.676 1.00 44.31 N ATOM 352 CZ ARG A 23 12.755 -5.066 6.063 1.00 50.14 C ATOM 353 NH1 ARG A 23 13.625 -5.925 6.495 1.00 51.04 N ATOM 354 NH2 ARG A 23 13.059 -3.816 6.048 1.00 1.43 N ATOM 0 H ARG A 23 6.497 -6.460 4.062 1.00 53.12 H new ATOM 0 HA ARG A 23 8.082 -4.686 5.646 1.00 55.22 H new ATOM 0 HB2 ARG A 23 8.583 -6.691 3.450 1.00 73.31 H new ATOM 0 HB3 ARG A 23 9.831 -5.496 3.742 1.00 73.31 H new ATOM 0 HG2 ARG A 23 9.085 -6.550 6.318 1.00 44.41 H new ATOM 0 HG3 ARG A 23 9.245 -7.924 5.242 1.00 44.41 H new ATOM 0 HD2 ARG A 23 11.384 -7.403 6.409 1.00 55.14 H new ATOM 0 HD3 ARG A 23 11.547 -7.285 4.668 1.00 55.14 H new ATOM 0 HE ARG A 23 10.894 -4.690 5.451 1.00 44.31 H new ATOM 0 HH11 ARG A 23 13.385 -6.915 6.541 1.00 51.04 H new ATOM 0 HH12 ARG A 23 14.550 -5.610 6.789 1.00 51.04 H new ATOM 0 HH21 ARG A 23 12.373 -3.128 5.739 1.00 1.43 H new ATOM 0 HH22 ARG A 23 13.986 -3.513 6.346 1.00 1.43 H new ATOM 368 N GLN A 24 7.265 -3.682 2.629 1.00 45.31 N ATOM 369 CA GLN A 24 7.199 -2.478 1.775 1.00 14.22 C ATOM 370 C GLN A 24 6.321 -1.376 2.410 1.00 10.41 C ATOM 371 O GLN A 24 6.763 -0.240 2.534 1.00 61.11 O ATOM 372 CB GLN A 24 6.690 -2.864 0.358 1.00 32.15 C ATOM 373 CG GLN A 24 7.762 -3.562 -0.517 1.00 31.45 C ATOM 374 CD GLN A 24 8.892 -2.623 -0.985 1.00 73.41 C ATOM 375 OE1 GLN A 24 10.039 -3.033 -1.150 1.00 22.13 O ATOM 376 NE2 GLN A 24 8.569 -1.364 -1.261 1.00 63.43 N ATOM 0 H GLN A 24 6.693 -4.460 2.301 1.00 45.31 H new ATOM 0 HA GLN A 24 8.203 -2.065 1.684 1.00 14.22 H new ATOM 0 HB2 GLN A 24 5.828 -3.524 0.458 1.00 32.15 H new ATOM 0 HB3 GLN A 24 6.345 -1.965 -0.153 1.00 32.15 H new ATOM 0 HG2 GLN A 24 8.198 -4.386 0.048 1.00 31.45 H new ATOM 0 HG3 GLN A 24 7.277 -3.996 -1.392 1.00 31.45 H new ATOM 0 HE21 GLN A 24 7.612 -1.040 -1.118 1.00 63.43 H new ATOM 0 HE22 GLN A 24 9.278 -0.722 -1.616 1.00 63.43 H new ATOM 385 N VAL A 25 5.128 -1.753 2.900 1.00 52.11 N ATOM 386 CA VAL A 25 4.114 -0.796 3.397 1.00 41.51 C ATOM 387 C VAL A 25 4.541 -0.173 4.750 1.00 71.22 C ATOM 388 O VAL A 25 4.383 1.018 4.948 1.00 50.25 O ATOM 389 CB VAL A 25 2.679 -1.451 3.504 1.00 61.45 C ATOM 390 CG1 VAL A 25 1.634 -0.471 4.100 1.00 0.32 C ATOM 391 CG2 VAL A 25 2.192 -1.970 2.122 1.00 42.51 C ATOM 0 H VAL A 25 4.836 -2.728 2.964 1.00 52.11 H new ATOM 0 HA VAL A 25 4.050 0.005 2.661 1.00 41.51 H new ATOM 0 HB VAL A 25 2.773 -2.297 4.185 1.00 61.45 H new ATOM 0 HG11 VAL A 25 0.663 -0.963 4.155 1.00 0.32 H new ATOM 0 HG12 VAL A 25 1.946 -0.171 5.100 1.00 0.32 H new ATOM 0 HG13 VAL A 25 1.558 0.411 3.464 1.00 0.32 H new ATOM 0 HG21 VAL A 25 1.203 -2.415 2.228 1.00 42.51 H new ATOM 0 HG22 VAL A 25 2.143 -1.139 1.418 1.00 42.51 H new ATOM 0 HG23 VAL A 25 2.889 -2.720 1.749 1.00 42.51 H new ATOM 401 N LEU A 26 5.112 -0.968 5.670 1.00 15.43 N ATOM 402 CA LEU A 26 5.615 -0.436 6.971 1.00 65.03 C ATOM 403 C LEU A 26 7.135 -0.126 6.923 1.00 3.31 C ATOM 404 O LEU A 26 7.682 0.437 7.877 1.00 20.32 O ATOM 405 CB LEU A 26 5.289 -1.392 8.157 1.00 11.31 C ATOM 406 CG LEU A 26 3.773 -1.535 8.544 1.00 12.34 C ATOM 407 CD1 LEU A 26 2.995 -2.453 7.574 1.00 14.54 C ATOM 408 CD2 LEU A 26 3.611 -2.001 10.007 1.00 54.45 C ATOM 0 H LEU A 26 5.241 -1.973 5.550 1.00 15.43 H new ATOM 0 HA LEU A 26 5.087 0.502 7.143 1.00 65.03 H new ATOM 0 HB2 LEU A 26 5.674 -2.382 7.913 1.00 11.31 H new ATOM 0 HB3 LEU A 26 5.834 -1.045 9.035 1.00 11.31 H new ATOM 0 HG LEU A 26 3.333 -0.542 8.453 1.00 12.34 H new ATOM 0 HD11 LEU A 26 1.953 -2.516 7.889 1.00 14.54 H new ATOM 0 HD12 LEU A 26 3.045 -2.042 6.566 1.00 14.54 H new ATOM 0 HD13 LEU A 26 3.437 -3.449 7.582 1.00 14.54 H new ATOM 0 HD21 LEU A 26 2.551 -2.091 10.245 1.00 54.45 H new ATOM 0 HD22 LEU A 26 4.095 -2.969 10.136 1.00 54.45 H new ATOM 0 HD23 LEU A 26 4.072 -1.273 10.674 1.00 54.45 H new ATOM 420 N GLY A 27 7.816 -0.515 5.828 1.00 33.23 N ATOM 421 CA GLY A 27 9.252 -0.190 5.624 1.00 13.41 C ATOM 422 C GLY A 27 10.223 -1.153 6.339 1.00 3.54 C ATOM 423 O GLY A 27 11.139 -1.709 5.725 1.00 62.13 O ATOM 0 H GLY A 27 7.401 -1.054 5.068 1.00 33.23 H new ATOM 0 HA2 GLY A 27 9.468 -0.200 4.556 1.00 13.41 H new ATOM 0 HA3 GLY A 27 9.438 0.824 5.977 1.00 13.41 H new ATOM 427 N ASN A 28 10.010 -1.342 7.648 1.00 33.13 N ATOM 428 CA ASN A 28 10.871 -2.170 8.529 1.00 43.20 C ATOM 429 C ASN A 28 10.342 -3.632 8.620 1.00 54.54 C ATOM 430 O ASN A 28 9.596 -4.086 7.742 1.00 43.23 O ATOM 431 CB ASN A 28 10.921 -1.501 9.930 1.00 54.25 C ATOM 432 CG ASN A 28 11.380 -0.041 9.872 1.00 11.32 C ATOM 433 OD1 ASN A 28 12.567 0.254 9.915 1.00 62.23 O ATOM 434 ND2 ASN A 28 10.443 0.885 9.754 1.00 3.41 N ATOM 0 H ASN A 28 9.223 -0.920 8.141 1.00 33.13 H new ATOM 0 HA ASN A 28 11.877 -2.226 8.113 1.00 43.20 H new ATOM 0 HB2 ASN A 28 9.932 -1.549 10.386 1.00 54.25 H new ATOM 0 HB3 ASN A 28 11.597 -2.065 10.573 1.00 54.25 H new ATOM 0 HD21 ASN A 28 10.703 1.870 9.697 1.00 3.41 H new ATOM 0 HD22 ASN A 28 9.460 0.615 9.720 1.00 3.41 H new ATOM 441 N ASP A 29 10.735 -4.363 9.697 1.00 23.34 N ATOM 442 CA ASP A 29 10.253 -5.746 9.988 1.00 42.32 C ATOM 443 C ASP A 29 8.781 -5.790 10.504 1.00 14.33 C ATOM 444 O ASP A 29 8.327 -6.837 10.973 1.00 54.12 O ATOM 445 CB ASP A 29 11.210 -6.438 10.998 1.00 44.01 C ATOM 446 CG ASP A 29 11.195 -5.786 12.393 1.00 30.45 C ATOM 447 OD1 ASP A 29 11.671 -4.639 12.522 1.00 60.11 O ATOM 448 OD2 ASP A 29 10.719 -6.416 13.365 1.00 63.44 O ATOM 0 H ASP A 29 11.396 -4.012 10.390 1.00 23.34 H new ATOM 0 HA ASP A 29 10.259 -6.290 9.044 1.00 42.32 H new ATOM 0 HB2 ASP A 29 10.931 -7.488 11.092 1.00 44.01 H new ATOM 0 HB3 ASP A 29 12.225 -6.412 10.603 1.00 44.01 H new ATOM 453 N TYR A 30 8.065 -4.638 10.405 1.00 10.12 N ATOM 454 CA TYR A 30 6.573 -4.510 10.464 1.00 21.44 C ATOM 455 C TYR A 30 5.887 -5.096 11.740 1.00 13.12 C ATOM 456 O TYR A 30 6.538 -5.461 12.721 1.00 1.04 O ATOM 457 CB TYR A 30 5.906 -5.057 9.145 1.00 44.21 C ATOM 458 CG TYR A 30 6.077 -6.569 8.861 1.00 14.01 C ATOM 459 CD1 TYR A 30 5.299 -7.526 9.515 1.00 3.24 C ATOM 460 CD2 TYR A 30 7.020 -7.034 7.938 1.00 43.21 C ATOM 461 CE1 TYR A 30 5.455 -8.868 9.265 1.00 30.53 C ATOM 462 CE2 TYR A 30 7.172 -8.381 7.687 1.00 34.31 C ATOM 463 CZ TYR A 30 6.388 -9.292 8.357 1.00 45.33 C ATOM 464 OH TYR A 30 6.531 -10.638 8.112 1.00 52.53 O ATOM 0 H TYR A 30 8.523 -3.736 10.277 1.00 10.12 H new ATOM 0 HA TYR A 30 6.396 -3.437 10.543 1.00 21.44 H new ATOM 0 HB2 TYR A 30 4.839 -4.836 9.185 1.00 44.21 H new ATOM 0 HB3 TYR A 30 6.315 -4.503 8.300 1.00 44.21 H new ATOM 0 HD1 TYR A 30 4.559 -7.205 10.233 1.00 3.24 H new ATOM 0 HD2 TYR A 30 7.641 -6.324 7.412 1.00 43.21 H new ATOM 0 HE1 TYR A 30 4.841 -9.589 9.785 1.00 30.53 H new ATOM 0 HE2 TYR A 30 7.903 -8.720 6.968 1.00 34.31 H new ATOM 0 HH TYR A 30 6.060 -10.872 7.285 1.00 52.53 H new ATOM 474 N VAL A 31 4.535 -5.119 11.713 1.00 33.41 N ATOM 475 CA VAL A 31 3.685 -5.733 12.767 1.00 73.02 C ATOM 476 C VAL A 31 2.931 -6.960 12.187 1.00 43.35 C ATOM 477 O VAL A 31 2.358 -6.874 11.095 1.00 64.43 O ATOM 478 CB VAL A 31 2.628 -4.703 13.330 1.00 64.31 C ATOM 479 CG1 VAL A 31 1.821 -5.296 14.520 1.00 53.54 C ATOM 480 CG2 VAL A 31 3.301 -3.360 13.718 1.00 14.25 C ATOM 0 H VAL A 31 3.994 -4.708 10.952 1.00 33.41 H new ATOM 0 HA VAL A 31 4.340 -6.041 13.582 1.00 73.02 H new ATOM 0 HB VAL A 31 1.918 -4.499 12.529 1.00 64.31 H new ATOM 0 HG11 VAL A 31 1.105 -4.556 14.878 1.00 53.54 H new ATOM 0 HG12 VAL A 31 1.288 -6.187 14.190 1.00 53.54 H new ATOM 0 HG13 VAL A 31 2.504 -5.560 15.327 1.00 53.54 H new ATOM 0 HG21 VAL A 31 2.547 -2.673 14.102 1.00 14.25 H new ATOM 0 HG22 VAL A 31 4.054 -3.539 14.486 1.00 14.25 H new ATOM 0 HG23 VAL A 31 3.776 -2.924 12.839 1.00 14.25 H new ATOM 490 N MET A 32 2.933 -8.094 12.917 1.00 10.44 N ATOM 491 CA MET A 32 2.159 -9.312 12.547 1.00 41.51 C ATOM 492 C MET A 32 1.746 -10.102 13.815 1.00 43.14 C ATOM 493 O MET A 32 2.402 -9.978 14.856 1.00 45.13 O ATOM 494 CB MET A 32 2.973 -10.203 11.558 1.00 31.41 C ATOM 495 CG MET A 32 2.266 -11.488 11.073 1.00 4.53 C ATOM 496 SD MET A 32 3.139 -12.326 9.731 1.00 12.21 S ATOM 497 CE MET A 32 2.844 -11.209 8.358 1.00 55.24 C ATOM 0 H MET A 32 3.468 -8.198 13.779 1.00 10.44 H new ATOM 0 HA MET A 32 1.247 -9.002 12.038 1.00 41.51 H new ATOM 0 HB2 MET A 32 3.232 -9.602 10.686 1.00 31.41 H new ATOM 0 HB3 MET A 32 3.909 -10.486 12.040 1.00 31.41 H new ATOM 0 HG2 MET A 32 2.161 -12.175 11.913 1.00 4.53 H new ATOM 0 HG3 MET A 32 1.259 -11.236 10.740 1.00 4.53 H new ATOM 0 HE1 MET A 32 3.773 -11.054 7.809 1.00 55.24 H new ATOM 0 HE2 MET A 32 2.096 -11.640 7.692 1.00 55.24 H new ATOM 0 HE3 MET A 32 2.483 -10.253 8.738 1.00 55.24 H new ATOM 507 N SER A 33 0.641 -10.882 13.698 1.00 20.40 N ATOM 508 CA SER A 33 0.062 -11.741 14.770 1.00 24.24 C ATOM 509 C SER A 33 -0.722 -10.912 15.814 1.00 32.34 C ATOM 510 O SER A 33 -1.934 -11.093 15.967 1.00 73.54 O ATOM 511 CB SER A 33 1.123 -12.652 15.457 1.00 64.34 C ATOM 512 OG SER A 33 0.539 -13.491 16.448 1.00 43.04 O ATOM 0 H SER A 33 0.110 -10.934 12.829 1.00 20.40 H new ATOM 0 HA SER A 33 -0.645 -12.404 14.271 1.00 24.24 H new ATOM 0 HB2 SER A 33 1.615 -13.268 14.704 1.00 64.34 H new ATOM 0 HB3 SER A 33 1.893 -12.031 15.915 1.00 64.34 H new ATOM 0 HG SER A 33 1.234 -14.049 16.856 1.00 43.04 H new ATOM 518 N THR A 34 -0.017 -10.009 16.524 1.00 53.12 N ATOM 519 CA THR A 34 -0.624 -9.100 17.531 1.00 21.00 C ATOM 520 C THR A 34 -1.603 -8.065 16.885 1.00 42.40 C ATOM 521 O THR A 34 -1.182 -7.045 16.316 1.00 2.43 O ATOM 522 CB THR A 34 0.478 -8.375 18.400 1.00 21.45 C ATOM 523 OG1 THR A 34 -0.105 -7.348 19.232 1.00 54.51 O ATOM 524 CG2 THR A 34 1.615 -7.768 17.546 1.00 23.41 C ATOM 0 H THR A 34 0.990 -9.885 16.419 1.00 53.12 H new ATOM 0 HA THR A 34 -1.216 -9.727 18.197 1.00 21.00 H new ATOM 0 HB THR A 34 0.917 -9.148 19.031 1.00 21.45 H new ATOM 0 HG1 THR A 34 -1.034 -7.582 19.437 1.00 54.51 H new ATOM 0 HG21 THR A 34 2.341 -7.284 18.199 1.00 23.41 H new ATOM 0 HG22 THR A 34 2.107 -8.559 16.980 1.00 23.41 H new ATOM 0 HG23 THR A 34 1.200 -7.033 16.857 1.00 23.41 H new ATOM 532 N GLU A 35 -2.919 -8.397 16.947 1.00 42.32 N ATOM 533 CA GLU A 35 -4.054 -7.530 16.507 1.00 13.33 C ATOM 534 C GLU A 35 -3.965 -7.093 15.022 1.00 20.14 C ATOM 535 O GLU A 35 -4.521 -6.060 14.635 1.00 32.33 O ATOM 536 CB GLU A 35 -4.213 -6.297 17.461 1.00 33.12 C ATOM 537 CG GLU A 35 -4.772 -6.617 18.871 1.00 44.11 C ATOM 538 CD GLU A 35 -3.837 -7.476 19.748 1.00 3.54 C ATOM 539 OE1 GLU A 35 -2.879 -6.918 20.337 1.00 61.21 O ATOM 540 OE2 GLU A 35 -4.053 -8.705 19.858 1.00 61.43 O ATOM 0 H GLU A 35 -3.232 -9.296 17.313 1.00 42.32 H new ATOM 0 HA GLU A 35 -4.952 -8.143 16.575 1.00 13.33 H new ATOM 0 HB2 GLU A 35 -3.240 -5.818 17.574 1.00 33.12 H new ATOM 0 HB3 GLU A 35 -4.872 -5.572 16.983 1.00 33.12 H new ATOM 0 HG2 GLU A 35 -4.976 -5.680 19.389 1.00 44.11 H new ATOM 0 HG3 GLU A 35 -5.725 -7.135 18.762 1.00 44.11 H new ATOM 547 N ARG A 36 -3.310 -7.913 14.188 1.00 14.54 N ATOM 548 CA ARG A 36 -3.135 -7.633 12.746 1.00 13.14 C ATOM 549 C ARG A 36 -4.248 -8.271 11.877 1.00 24.30 C ATOM 550 O ARG A 36 -5.284 -8.711 12.392 1.00 12.23 O ATOM 551 CB ARG A 36 -1.695 -8.052 12.285 1.00 2.14 C ATOM 552 CG ARG A 36 -0.725 -6.858 12.149 1.00 52.40 C ATOM 553 CD ARG A 36 -1.194 -5.845 11.088 1.00 51.41 C ATOM 554 NE ARG A 36 -0.313 -4.667 10.992 1.00 52.21 N ATOM 555 CZ ARG A 36 -0.370 -3.764 10.031 1.00 53.02 C ATOM 556 NH1 ARG A 36 -1.098 -3.955 8.972 1.00 13.23 N ATOM 557 NH2 ARG A 36 0.348 -2.701 10.113 1.00 70.34 N ATOM 0 H ARG A 36 -2.885 -8.790 14.489 1.00 14.54 H new ATOM 0 HA ARG A 36 -3.236 -6.558 12.597 1.00 13.14 H new ATOM 0 HB2 ARG A 36 -1.285 -8.764 13.001 1.00 2.14 H new ATOM 0 HB3 ARG A 36 -1.763 -8.567 11.327 1.00 2.14 H new ATOM 0 HG2 ARG A 36 -0.632 -6.356 13.112 1.00 52.40 H new ATOM 0 HG3 ARG A 36 0.266 -7.226 11.884 1.00 52.40 H new ATOM 0 HD2 ARG A 36 -1.240 -6.338 10.117 1.00 51.41 H new ATOM 0 HD3 ARG A 36 -2.206 -5.518 11.327 1.00 51.41 H new ATOM 0 HE ARG A 36 0.390 -4.541 11.720 1.00 52.21 H new ATOM 0 HH11 ARG A 36 -1.638 -4.814 8.873 1.00 13.23 H new ATOM 0 HH12 ARG A 36 -1.129 -3.245 8.240 1.00 13.23 H new ATOM 0 HH21 ARG A 36 0.958 -2.558 10.918 1.00 70.34 H new ATOM 0 HH22 ARG A 36 0.308 -2.000 9.373 1.00 70.34 H new ATOM 571 N LEU A 37 -4.021 -8.286 10.544 1.00 24.00 N ATOM 572 CA LEU A 37 -5.047 -8.614 9.532 1.00 11.00 C ATOM 573 C LEU A 37 -5.218 -10.141 9.340 1.00 1.20 C ATOM 574 O LEU A 37 -5.042 -10.668 8.238 1.00 15.42 O ATOM 575 CB LEU A 37 -4.664 -7.928 8.195 1.00 44.23 C ATOM 576 CG LEU A 37 -4.454 -6.382 8.255 1.00 62.25 C ATOM 577 CD1 LEU A 37 -3.926 -5.850 6.917 1.00 21.30 C ATOM 578 CD2 LEU A 37 -5.747 -5.644 8.669 1.00 13.42 C ATOM 0 H LEU A 37 -3.111 -8.068 10.138 1.00 24.00 H new ATOM 0 HA LEU A 37 -6.010 -8.241 9.881 1.00 11.00 H new ATOM 0 HB2 LEU A 37 -3.747 -8.385 7.825 1.00 44.23 H new ATOM 0 HB3 LEU A 37 -5.444 -8.141 7.464 1.00 44.23 H new ATOM 0 HG LEU A 37 -3.706 -6.184 9.022 1.00 62.25 H new ATOM 0 HD11 LEU A 37 -3.788 -4.771 6.984 1.00 21.30 H new ATOM 0 HD12 LEU A 37 -2.972 -6.325 6.688 1.00 21.30 H new ATOM 0 HD13 LEU A 37 -4.643 -6.076 6.127 1.00 21.30 H new ATOM 0 HD21 LEU A 37 -5.560 -4.571 8.699 1.00 13.42 H new ATOM 0 HD22 LEU A 37 -6.534 -5.855 7.945 1.00 13.42 H new ATOM 0 HD23 LEU A 37 -6.061 -5.985 9.655 1.00 13.42 H new ATOM 590 N THR A 38 -5.606 -10.830 10.425 1.00 15.14 N ATOM 591 CA THR A 38 -5.864 -12.290 10.428 1.00 23.43 C ATOM 592 C THR A 38 -6.916 -12.719 9.364 1.00 42.13 C ATOM 593 O THR A 38 -6.838 -13.824 8.817 1.00 53.20 O ATOM 594 CB THR A 38 -6.294 -12.781 11.858 1.00 64.12 C ATOM 595 OG1 THR A 38 -6.686 -14.164 11.818 1.00 75.11 O ATOM 596 CG2 THR A 38 -7.436 -11.934 12.459 1.00 1.23 C ATOM 0 H THR A 38 -5.752 -10.392 11.334 1.00 15.14 H new ATOM 0 HA THR A 38 -4.924 -12.771 10.156 1.00 23.43 H new ATOM 0 HB THR A 38 -5.424 -12.662 12.504 1.00 64.12 H new ATOM 0 HG1 THR A 38 -6.949 -14.455 12.716 1.00 75.11 H new ATOM 0 HG21 THR A 38 -7.692 -12.317 13.447 1.00 1.23 H new ATOM 0 HG22 THR A 38 -7.113 -10.897 12.545 1.00 1.23 H new ATOM 0 HG23 THR A 38 -8.310 -11.989 11.810 1.00 1.23 H new ATOM 604 N SER A 39 -7.886 -11.825 9.072 1.00 4.42 N ATOM 605 CA SER A 39 -8.911 -12.049 8.021 1.00 24.35 C ATOM 606 C SER A 39 -8.309 -11.909 6.595 1.00 24.41 C ATOM 607 O SER A 39 -8.479 -12.798 5.763 1.00 51.22 O ATOM 608 CB SER A 39 -10.086 -11.057 8.198 1.00 62.14 C ATOM 609 OG SER A 39 -10.668 -11.164 9.489 1.00 2.22 O ATOM 0 H SER A 39 -7.983 -10.931 9.554 1.00 4.42 H new ATOM 0 HA SER A 39 -9.279 -13.069 8.131 1.00 24.35 H new ATOM 0 HB2 SER A 39 -9.730 -10.039 8.041 1.00 62.14 H new ATOM 0 HB3 SER A 39 -10.844 -11.250 7.439 1.00 62.14 H new ATOM 0 HG SER A 39 -11.405 -10.524 9.569 1.00 2.22 H new ATOM 615 N ALA A 40 -7.583 -10.795 6.339 1.00 61.23 N ATOM 616 CA ALA A 40 -7.037 -10.469 4.987 1.00 45.22 C ATOM 617 C ALA A 40 -5.939 -11.470 4.538 1.00 71.24 C ATOM 618 O ALA A 40 -5.915 -11.908 3.382 1.00 50.10 O ATOM 619 CB ALA A 40 -6.493 -9.025 4.968 1.00 61.02 C ATOM 0 H ALA A 40 -7.358 -10.100 7.051 1.00 61.23 H new ATOM 0 HA ALA A 40 -7.857 -10.555 4.274 1.00 45.22 H new ATOM 0 HB1 ALA A 40 -6.098 -8.798 3.978 1.00 61.02 H new ATOM 0 HB2 ALA A 40 -7.298 -8.330 5.205 1.00 61.02 H new ATOM 0 HB3 ALA A 40 -5.698 -8.926 5.707 1.00 61.02 H new ATOM 625 N GLU A 41 -5.031 -11.810 5.470 1.00 2.22 N ATOM 626 CA GLU A 41 -3.960 -12.820 5.266 1.00 12.42 C ATOM 627 C GLU A 41 -4.547 -14.233 5.011 1.00 42.41 C ATOM 628 O GLU A 41 -3.979 -15.024 4.243 1.00 63.41 O ATOM 629 CB GLU A 41 -3.018 -12.825 6.505 1.00 44.24 C ATOM 630 CG GLU A 41 -2.262 -11.492 6.734 1.00 51.51 C ATOM 631 CD GLU A 41 -1.497 -11.422 8.070 1.00 72.13 C ATOM 632 OE1 GLU A 41 -0.553 -12.218 8.270 1.00 41.52 O ATOM 633 OE2 GLU A 41 -1.847 -10.579 8.930 1.00 32.25 O ATOM 0 H GLU A 41 -5.014 -11.390 6.399 1.00 2.22 H new ATOM 0 HA GLU A 41 -3.389 -12.549 4.378 1.00 12.42 H new ATOM 0 HB2 GLU A 41 -3.606 -13.053 7.394 1.00 44.24 H new ATOM 0 HB3 GLU A 41 -2.290 -13.628 6.390 1.00 44.24 H new ATOM 0 HG2 GLU A 41 -1.557 -11.342 5.916 1.00 51.51 H new ATOM 0 HG3 GLU A 41 -2.977 -10.670 6.694 1.00 51.51 H new ATOM 640 N SER A 42 -5.693 -14.536 5.654 1.00 52.04 N ATOM 641 CA SER A 42 -6.463 -15.782 5.395 1.00 31.11 C ATOM 642 C SER A 42 -7.062 -15.785 3.967 1.00 74.12 C ATOM 643 O SER A 42 -7.011 -16.797 3.272 1.00 41.10 O ATOM 644 CB SER A 42 -7.596 -15.954 6.434 1.00 10.14 C ATOM 645 OG SER A 42 -8.376 -17.119 6.182 1.00 73.32 O ATOM 0 H SER A 42 -6.113 -13.934 6.362 1.00 52.04 H new ATOM 0 HA SER A 42 -5.769 -16.618 5.483 1.00 31.11 H new ATOM 0 HB2 SER A 42 -7.166 -16.015 7.434 1.00 10.14 H new ATOM 0 HB3 SER A 42 -8.240 -15.075 6.417 1.00 10.14 H new ATOM 0 HG SER A 42 -9.080 -17.194 6.860 1.00 73.32 H new ATOM 651 N LEU A 43 -7.610 -14.629 3.540 1.00 50.34 N ATOM 652 CA LEU A 43 -8.255 -14.476 2.212 1.00 45.15 C ATOM 653 C LEU A 43 -7.230 -14.484 1.050 1.00 21.04 C ATOM 654 O LEU A 43 -7.558 -14.921 -0.049 1.00 51.23 O ATOM 655 CB LEU A 43 -9.114 -13.182 2.162 1.00 63.42 C ATOM 656 CG LEU A 43 -10.324 -13.110 3.154 1.00 10.24 C ATOM 657 CD1 LEU A 43 -11.115 -11.792 2.977 1.00 44.31 C ATOM 658 CD2 LEU A 43 -11.244 -14.345 3.020 1.00 2.02 C ATOM 0 H LEU A 43 -7.620 -13.777 4.100 1.00 50.34 H new ATOM 0 HA LEU A 43 -8.904 -15.341 2.077 1.00 45.15 H new ATOM 0 HB2 LEU A 43 -8.461 -12.331 2.357 1.00 63.42 H new ATOM 0 HB3 LEU A 43 -9.496 -13.065 1.148 1.00 63.42 H new ATOM 0 HG LEU A 43 -9.919 -13.118 4.166 1.00 10.24 H new ATOM 0 HD11 LEU A 43 -11.949 -11.771 3.679 1.00 44.31 H new ATOM 0 HD12 LEU A 43 -10.457 -10.944 3.169 1.00 44.31 H new ATOM 0 HD13 LEU A 43 -11.497 -11.731 1.958 1.00 44.31 H new ATOM 0 HD21 LEU A 43 -12.072 -14.260 3.724 1.00 2.02 H new ATOM 0 HD22 LEU A 43 -11.635 -14.399 2.004 1.00 2.02 H new ATOM 0 HD23 LEU A 43 -10.674 -15.248 3.238 1.00 2.02 H new ATOM 670 N LEU A 44 -6.002 -13.984 1.287 1.00 64.32 N ATOM 671 CA LEU A 44 -4.922 -14.027 0.269 1.00 45.33 C ATOM 672 C LEU A 44 -4.414 -15.483 0.091 1.00 32.40 C ATOM 673 O LEU A 44 -4.202 -15.951 -1.034 1.00 41.20 O ATOM 674 CB LEU A 44 -3.750 -13.072 0.641 1.00 44.04 C ATOM 675 CG LEU A 44 -2.695 -12.820 -0.494 1.00 15.15 C ATOM 676 CD1 LEU A 44 -3.334 -12.116 -1.715 1.00 45.34 C ATOM 677 CD2 LEU A 44 -1.469 -12.038 0.027 1.00 25.01 C ATOM 0 H LEU A 44 -5.729 -13.547 2.167 1.00 64.32 H new ATOM 0 HA LEU A 44 -5.335 -13.681 -0.679 1.00 45.33 H new ATOM 0 HB2 LEU A 44 -4.169 -12.112 0.943 1.00 44.04 H new ATOM 0 HB3 LEU A 44 -3.233 -13.481 1.509 1.00 44.04 H new ATOM 0 HG LEU A 44 -2.340 -13.796 -0.825 1.00 15.15 H new ATOM 0 HD11 LEU A 44 -2.575 -11.957 -2.481 1.00 45.34 H new ATOM 0 HD12 LEU A 44 -4.132 -12.740 -2.118 1.00 45.34 H new ATOM 0 HD13 LEU A 44 -3.745 -11.155 -1.407 1.00 45.34 H new ATOM 0 HD21 LEU A 44 -0.762 -11.884 -0.788 1.00 25.01 H new ATOM 0 HD22 LEU A 44 -1.792 -11.072 0.415 1.00 25.01 H new ATOM 0 HD23 LEU A 44 -0.987 -12.606 0.823 1.00 25.01 H new ATOM 689 N ARG A 45 -4.251 -16.198 1.228 1.00 53.45 N ATOM 690 CA ARG A 45 -3.911 -17.649 1.243 1.00 53.34 C ATOM 691 C ARG A 45 -5.081 -18.534 0.735 1.00 5.24 C ATOM 692 O ARG A 45 -4.860 -19.666 0.287 1.00 52.01 O ATOM 693 CB ARG A 45 -3.457 -18.082 2.666 1.00 24.02 C ATOM 694 CG ARG A 45 -2.044 -17.580 3.050 1.00 31.02 C ATOM 695 CD ARG A 45 -1.604 -18.001 4.465 1.00 34.40 C ATOM 696 NE ARG A 45 -2.315 -17.263 5.531 1.00 24.41 N ATOM 697 CZ ARG A 45 -1.734 -16.653 6.548 1.00 2.21 C ATOM 698 NH1 ARG A 45 -0.438 -16.597 6.648 1.00 4.25 N ATOM 699 NH2 ARG A 45 -2.460 -16.089 7.452 1.00 30.20 N ATOM 0 H ARG A 45 -4.350 -15.793 2.159 1.00 53.45 H new ATOM 0 HA ARG A 45 -3.083 -17.799 0.550 1.00 53.34 H new ATOM 0 HB2 ARG A 45 -4.176 -17.709 3.396 1.00 24.02 H new ATOM 0 HB3 ARG A 45 -3.475 -19.170 2.728 1.00 24.02 H new ATOM 0 HG2 ARG A 45 -1.323 -17.960 2.326 1.00 31.02 H new ATOM 0 HG3 ARG A 45 -2.022 -16.492 2.980 1.00 31.02 H new ATOM 0 HD2 ARG A 45 -1.778 -19.070 4.591 1.00 34.40 H new ATOM 0 HD3 ARG A 45 -0.531 -17.838 4.570 1.00 34.40 H new ATOM 0 HE ARG A 45 -3.333 -17.222 5.477 1.00 24.41 H new ATOM 0 HH11 ARG A 45 0.148 -17.029 5.933 1.00 4.25 H new ATOM 0 HH12 ARG A 45 -0.008 -16.121 7.441 1.00 4.25 H new ATOM 0 HH21 ARG A 45 -3.477 -16.116 7.379 1.00 30.20 H new ATOM 0 HH22 ARG A 45 -2.017 -15.616 8.240 1.00 30.20 H new ATOM 713 N GLY A 46 -6.317 -18.010 0.823 1.00 64.43 N ATOM 714 CA GLY A 46 -7.510 -18.678 0.276 1.00 60.45 C ATOM 715 C GLY A 46 -7.822 -18.289 -1.176 1.00 74.53 C ATOM 716 O GLY A 46 -8.719 -18.864 -1.793 1.00 21.14 O ATOM 0 H GLY A 46 -6.516 -17.116 1.273 1.00 64.43 H new ATOM 0 HA2 GLY A 46 -7.369 -19.757 0.332 1.00 60.45 H new ATOM 0 HA3 GLY A 46 -8.370 -18.436 0.901 1.00 60.45 H new ATOM 720 N GLY A 47 -7.073 -17.304 -1.717 1.00 3.31 N ATOM 721 CA GLY A 47 -7.280 -16.806 -3.091 1.00 60.03 C ATOM 722 C GLY A 47 -8.571 -15.994 -3.291 1.00 4.01 C ATOM 723 O GLY A 47 -8.974 -15.734 -4.429 1.00 23.34 O ATOM 0 H GLY A 47 -6.316 -16.837 -1.218 1.00 3.31 H new ATOM 0 HA2 GLY A 47 -6.429 -16.185 -3.370 1.00 60.03 H new ATOM 0 HA3 GLY A 47 -7.292 -17.656 -3.773 1.00 60.03 H new ATOM 727 N GLU A 48 -9.209 -15.587 -2.181 1.00 71.51 N ATOM 728 CA GLU A 48 -10.469 -14.816 -2.194 1.00 34.04 C ATOM 729 C GLU A 48 -10.239 -13.327 -2.582 1.00 53.10 C ATOM 730 O GLU A 48 -11.116 -12.701 -3.178 1.00 75.24 O ATOM 731 CB GLU A 48 -11.138 -14.904 -0.797 1.00 3.43 C ATOM 732 CG GLU A 48 -11.431 -16.341 -0.297 1.00 21.00 C ATOM 733 CD GLU A 48 -12.480 -17.095 -1.141 1.00 52.00 C ATOM 734 OE1 GLU A 48 -13.673 -16.720 -1.084 1.00 20.32 O ATOM 735 OE2 GLU A 48 -12.122 -18.058 -1.856 1.00 25.52 O ATOM 0 H GLU A 48 -8.864 -15.784 -1.241 1.00 71.51 H new ATOM 0 HA GLU A 48 -11.122 -15.250 -2.951 1.00 34.04 H new ATOM 0 HB2 GLU A 48 -10.494 -14.408 -0.071 1.00 3.43 H new ATOM 0 HB3 GLU A 48 -12.075 -14.348 -0.824 1.00 3.43 H new ATOM 0 HG2 GLU A 48 -10.502 -16.911 -0.296 1.00 21.00 H new ATOM 0 HG3 GLU A 48 -11.777 -16.292 0.736 1.00 21.00 H new ATOM 742 N ILE A 49 -9.058 -12.771 -2.228 1.00 50.03 N ATOM 743 CA ILE A 49 -8.649 -11.391 -2.628 1.00 32.22 C ATOM 744 C ILE A 49 -7.349 -11.420 -3.474 1.00 71.14 C ATOM 745 O ILE A 49 -6.586 -12.396 -3.437 1.00 11.41 O ATOM 746 CB ILE A 49 -8.443 -10.432 -1.382 1.00 14.11 C ATOM 747 CG1 ILE A 49 -7.268 -10.923 -0.461 1.00 41.13 C ATOM 748 CG2 ILE A 49 -9.762 -10.264 -0.578 1.00 74.24 C ATOM 749 CD1 ILE A 49 -6.956 -10.020 0.728 1.00 22.12 C ATOM 0 H ILE A 49 -8.362 -13.256 -1.662 1.00 50.03 H new ATOM 0 HA ILE A 49 -9.468 -10.993 -3.227 1.00 32.22 H new ATOM 0 HB ILE A 49 -8.163 -9.451 -1.767 1.00 14.11 H new ATOM 0 HG12 ILE A 49 -7.511 -11.918 -0.088 1.00 41.13 H new ATOM 0 HG13 ILE A 49 -6.368 -11.022 -1.068 1.00 41.13 H new ATOM 0 HG21 ILE A 49 -9.589 -9.601 0.270 1.00 74.24 H new ATOM 0 HG22 ILE A 49 -10.529 -9.836 -1.223 1.00 74.24 H new ATOM 0 HG23 ILE A 49 -10.094 -11.237 -0.216 1.00 74.24 H new ATOM 0 HD11 ILE A 49 -6.132 -10.445 1.301 1.00 22.12 H new ATOM 0 HD12 ILE A 49 -6.676 -9.030 0.369 1.00 22.12 H new ATOM 0 HD13 ILE A 49 -7.837 -9.940 1.365 1.00 22.12 H new ATOM 761 N SER A 50 -7.120 -10.333 -4.238 1.00 33.33 N ATOM 762 CA SER A 50 -5.877 -10.141 -5.029 1.00 35.51 C ATOM 763 C SER A 50 -4.767 -9.508 -4.164 1.00 41.12 C ATOM 764 O SER A 50 -5.032 -9.033 -3.051 1.00 60.43 O ATOM 765 CB SER A 50 -6.150 -9.246 -6.266 1.00 72.32 C ATOM 766 OG SER A 50 -7.174 -9.795 -7.082 1.00 23.40 O ATOM 0 H SER A 50 -7.785 -9.564 -4.327 1.00 33.33 H new ATOM 0 HA SER A 50 -5.542 -11.122 -5.367 1.00 35.51 H new ATOM 0 HB2 SER A 50 -6.439 -8.247 -5.939 1.00 72.32 H new ATOM 0 HB3 SER A 50 -5.235 -9.138 -6.849 1.00 72.32 H new ATOM 0 HG SER A 50 -7.327 -9.210 -7.853 1.00 23.40 H new ATOM 772 N VAL A 51 -3.518 -9.501 -4.690 1.00 44.11 N ATOM 773 CA VAL A 51 -2.377 -8.812 -4.032 1.00 22.34 C ATOM 774 C VAL A 51 -2.688 -7.308 -3.845 1.00 3.53 C ATOM 775 O VAL A 51 -2.430 -6.757 -2.787 1.00 31.23 O ATOM 776 CB VAL A 51 -1.036 -8.990 -4.842 1.00 63.50 C ATOM 777 CG1 VAL A 51 0.159 -8.238 -4.183 1.00 21.14 C ATOM 778 CG2 VAL A 51 -0.708 -10.489 -5.035 1.00 2.35 C ATOM 0 H VAL A 51 -3.274 -9.963 -5.566 1.00 44.11 H new ATOM 0 HA VAL A 51 -2.239 -9.275 -3.055 1.00 22.34 H new ATOM 0 HB VAL A 51 -1.191 -8.539 -5.822 1.00 63.50 H new ATOM 0 HG11 VAL A 51 1.059 -8.392 -4.779 1.00 21.14 H new ATOM 0 HG12 VAL A 51 -0.065 -7.172 -4.133 1.00 21.14 H new ATOM 0 HG13 VAL A 51 0.320 -8.623 -3.176 1.00 21.14 H new ATOM 0 HG21 VAL A 51 0.221 -10.589 -5.596 1.00 2.35 H new ATOM 0 HG22 VAL A 51 -0.596 -10.965 -4.061 1.00 2.35 H new ATOM 0 HG23 VAL A 51 -1.517 -10.971 -5.584 1.00 2.35 H new ATOM 788 N ARG A 52 -3.280 -6.681 -4.885 1.00 1.30 N ATOM 789 CA ARG A 52 -3.738 -5.261 -4.850 1.00 3.33 C ATOM 790 C ARG A 52 -4.654 -4.940 -3.639 1.00 4.44 C ATOM 791 O ARG A 52 -4.427 -3.960 -2.914 1.00 72.10 O ATOM 792 CB ARG A 52 -4.471 -4.916 -6.180 1.00 21.20 C ATOM 793 CG ARG A 52 -5.168 -3.528 -6.203 1.00 43.25 C ATOM 794 CD ARG A 52 -5.682 -3.133 -7.600 1.00 51.14 C ATOM 795 NE ARG A 52 -4.567 -2.996 -8.554 1.00 14.14 N ATOM 796 CZ ARG A 52 -4.446 -2.064 -9.471 1.00 40.14 C ATOM 797 NH1 ARG A 52 -5.354 -1.152 -9.641 1.00 74.35 N ATOM 798 NH2 ARG A 52 -3.395 -2.043 -10.205 1.00 3.20 N ATOM 0 H ARG A 52 -3.457 -7.141 -5.778 1.00 1.30 H new ATOM 0 HA ARG A 52 -2.847 -4.643 -4.735 1.00 3.33 H new ATOM 0 HB2 ARG A 52 -3.750 -4.958 -6.996 1.00 21.20 H new ATOM 0 HB3 ARG A 52 -5.219 -5.685 -6.376 1.00 21.20 H new ATOM 0 HG2 ARG A 52 -6.004 -3.536 -5.504 1.00 43.25 H new ATOM 0 HG3 ARG A 52 -4.467 -2.770 -5.853 1.00 43.25 H new ATOM 0 HD2 ARG A 52 -6.383 -3.886 -7.960 1.00 51.14 H new ATOM 0 HD3 ARG A 52 -6.229 -2.192 -7.537 1.00 51.14 H new ATOM 0 HE ARG A 52 -3.821 -3.689 -8.497 1.00 14.14 H new ATOM 0 HH11 ARG A 52 -6.188 -1.147 -9.054 1.00 74.35 H new ATOM 0 HH12 ARG A 52 -5.233 -0.440 -10.361 1.00 74.35 H new ATOM 0 HH21 ARG A 52 -2.666 -2.744 -10.073 1.00 3.20 H new ATOM 0 HH22 ARG A 52 -3.287 -1.325 -10.921 1.00 3.20 H new ATOM 812 N ASP A 53 -5.687 -5.767 -3.442 1.00 45.33 N ATOM 813 CA ASP A 53 -6.685 -5.577 -2.367 1.00 22.24 C ATOM 814 C ASP A 53 -6.097 -5.900 -0.975 1.00 63.21 C ATOM 815 O ASP A 53 -6.570 -5.379 0.044 1.00 21.24 O ATOM 816 CB ASP A 53 -7.932 -6.429 -2.669 1.00 35.52 C ATOM 817 CG ASP A 53 -8.529 -6.080 -4.045 1.00 42.03 C ATOM 818 OD1 ASP A 53 -9.154 -4.998 -4.177 1.00 4.54 O ATOM 819 OD2 ASP A 53 -8.323 -6.852 -5.012 1.00 41.24 O ATOM 0 H ASP A 53 -5.860 -6.589 -4.020 1.00 45.33 H new ATOM 0 HA ASP A 53 -6.975 -4.527 -2.341 1.00 22.24 H new ATOM 0 HB2 ASP A 53 -7.668 -7.486 -2.643 1.00 35.52 H new ATOM 0 HB3 ASP A 53 -8.681 -6.268 -1.894 1.00 35.52 H new ATOM 824 N PHE A 54 -5.056 -6.755 -0.946 1.00 50.41 N ATOM 825 CA PHE A 54 -4.293 -7.036 0.285 1.00 34.32 C ATOM 826 C PHE A 54 -3.398 -5.825 0.675 1.00 35.44 C ATOM 827 O PHE A 54 -3.362 -5.429 1.844 1.00 51.50 O ATOM 828 CB PHE A 54 -3.446 -8.322 0.119 1.00 61.40 C ATOM 829 CG PHE A 54 -2.725 -8.730 1.402 1.00 51.54 C ATOM 830 CD1 PHE A 54 -3.441 -9.249 2.479 1.00 52.44 C ATOM 831 CD2 PHE A 54 -1.348 -8.573 1.544 1.00 22.42 C ATOM 832 CE1 PHE A 54 -2.802 -9.597 3.648 1.00 0.21 C ATOM 833 CE2 PHE A 54 -0.712 -8.925 2.716 1.00 25.44 C ATOM 834 CZ PHE A 54 -1.439 -9.436 3.767 1.00 24.45 C ATOM 0 H PHE A 54 -4.724 -7.265 -1.765 1.00 50.41 H new ATOM 0 HA PHE A 54 -5.003 -7.199 1.096 1.00 34.32 H new ATOM 0 HB2 PHE A 54 -4.093 -9.138 -0.203 1.00 61.40 H new ATOM 0 HB3 PHE A 54 -2.711 -8.167 -0.671 1.00 61.40 H new ATOM 0 HD1 PHE A 54 -4.510 -9.380 2.396 1.00 52.44 H new ATOM 0 HD2 PHE A 54 -0.771 -8.170 0.725 1.00 22.42 H new ATOM 0 HE1 PHE A 54 -3.371 -9.997 4.474 1.00 0.21 H new ATOM 0 HE2 PHE A 54 0.357 -8.800 2.809 1.00 25.44 H new ATOM 0 HZ PHE A 54 -0.941 -9.711 4.685 1.00 24.45 H new ATOM 844 N VAL A 55 -2.684 -5.243 -0.319 1.00 40.31 N ATOM 845 CA VAL A 55 -1.852 -4.027 -0.121 1.00 14.31 C ATOM 846 C VAL A 55 -2.725 -2.841 0.357 1.00 3.45 C ATOM 847 O VAL A 55 -2.315 -2.068 1.225 1.00 71.14 O ATOM 848 CB VAL A 55 -1.068 -3.622 -1.433 1.00 52.02 C ATOM 849 CG1 VAL A 55 -0.239 -2.336 -1.216 1.00 22.22 C ATOM 850 CG2 VAL A 55 -0.154 -4.769 -1.932 1.00 74.14 C ATOM 0 H VAL A 55 -2.667 -5.599 -1.275 1.00 40.31 H new ATOM 0 HA VAL A 55 -1.116 -4.266 0.646 1.00 14.31 H new ATOM 0 HB VAL A 55 -1.816 -3.427 -2.202 1.00 52.02 H new ATOM 0 HG11 VAL A 55 0.288 -2.084 -2.136 1.00 22.22 H new ATOM 0 HG12 VAL A 55 -0.904 -1.517 -0.942 1.00 22.22 H new ATOM 0 HG13 VAL A 55 0.484 -2.500 -0.417 1.00 22.22 H new ATOM 0 HG21 VAL A 55 0.368 -4.452 -2.835 1.00 74.14 H new ATOM 0 HG22 VAL A 55 0.575 -5.016 -1.160 1.00 74.14 H new ATOM 0 HG23 VAL A 55 -0.760 -5.648 -2.153 1.00 74.14 H new ATOM 860 N ARG A 56 -3.946 -2.745 -0.212 1.00 2.03 N ATOM 861 CA ARG A 56 -4.981 -1.779 0.215 1.00 34.32 C ATOM 862 C ARG A 56 -5.283 -1.928 1.724 1.00 51.51 C ATOM 863 O ARG A 56 -5.256 -0.954 2.467 1.00 60.22 O ATOM 864 CB ARG A 56 -6.292 -2.008 -0.589 1.00 1.35 C ATOM 865 CG ARG A 56 -7.422 -0.985 -0.294 1.00 53.54 C ATOM 866 CD ARG A 56 -8.832 -1.514 -0.638 1.00 51.23 C ATOM 867 NE ARG A 56 -8.961 -1.960 -2.042 1.00 33.12 N ATOM 868 CZ ARG A 56 -9.611 -1.319 -2.995 1.00 32.54 C ATOM 869 NH1 ARG A 56 -10.132 -0.142 -2.793 1.00 23.43 N ATOM 870 NH2 ARG A 56 -9.732 -1.865 -4.156 1.00 61.22 N ATOM 0 H ARG A 56 -4.243 -3.340 -0.986 1.00 2.03 H new ATOM 0 HA ARG A 56 -4.602 -0.775 0.025 1.00 34.32 H new ATOM 0 HB2 ARG A 56 -6.060 -1.975 -1.653 1.00 1.35 H new ATOM 0 HB3 ARG A 56 -6.663 -3.010 -0.375 1.00 1.35 H new ATOM 0 HG2 ARG A 56 -7.391 -0.714 0.761 1.00 53.54 H new ATOM 0 HG3 ARG A 56 -7.235 -0.074 -0.862 1.00 53.54 H new ATOM 0 HD2 ARG A 56 -9.072 -2.346 0.024 1.00 51.23 H new ATOM 0 HD3 ARG A 56 -9.564 -0.730 -0.444 1.00 51.23 H new ATOM 0 HE ARG A 56 -8.509 -2.838 -2.296 1.00 33.12 H new ATOM 0 HH11 ARG A 56 -10.042 0.306 -1.881 1.00 23.43 H new ATOM 0 HH12 ARG A 56 -10.629 0.332 -3.547 1.00 23.43 H new ATOM 0 HH21 ARG A 56 -9.327 -2.785 -4.332 1.00 61.22 H new ATOM 0 HH22 ARG A 56 -10.233 -1.378 -4.899 1.00 61.22 H new ATOM 884 N ALA A 57 -5.551 -3.180 2.149 1.00 3.05 N ATOM 885 CA ALA A 57 -5.896 -3.517 3.551 1.00 55.11 C ATOM 886 C ALA A 57 -4.760 -3.157 4.549 1.00 1.31 C ATOM 887 O ALA A 57 -5.023 -2.618 5.625 1.00 44.01 O ATOM 888 CB ALA A 57 -6.250 -5.010 3.654 1.00 30.41 C ATOM 0 H ALA A 57 -5.535 -3.990 1.530 1.00 3.05 H new ATOM 0 HA ALA A 57 -6.760 -2.914 3.830 1.00 55.11 H new ATOM 0 HB1 ALA A 57 -6.503 -5.254 4.686 1.00 30.41 H new ATOM 0 HB2 ALA A 57 -7.103 -5.227 3.010 1.00 30.41 H new ATOM 0 HB3 ALA A 57 -5.396 -5.609 3.339 1.00 30.41 H new ATOM 894 N VAL A 58 -3.502 -3.462 4.174 1.00 74.13 N ATOM 895 CA VAL A 58 -2.307 -3.184 5.019 1.00 30.20 C ATOM 896 C VAL A 58 -1.993 -1.666 5.073 1.00 21.10 C ATOM 897 O VAL A 58 -1.530 -1.146 6.090 1.00 23.34 O ATOM 898 CB VAL A 58 -1.055 -4.005 4.509 1.00 53.32 C ATOM 899 CG1 VAL A 58 0.202 -3.768 5.386 1.00 14.54 C ATOM 900 CG2 VAL A 58 -1.380 -5.517 4.436 1.00 30.51 C ATOM 0 H VAL A 58 -3.278 -3.906 3.283 1.00 74.13 H new ATOM 0 HA VAL A 58 -2.535 -3.508 6.034 1.00 30.20 H new ATOM 0 HB VAL A 58 -0.827 -3.642 3.507 1.00 53.32 H new ATOM 0 HG11 VAL A 58 1.034 -4.353 4.995 1.00 14.54 H new ATOM 0 HG12 VAL A 58 0.463 -2.710 5.369 1.00 14.54 H new ATOM 0 HG13 VAL A 58 -0.007 -4.074 6.411 1.00 14.54 H new ATOM 0 HG21 VAL A 58 -0.504 -6.061 4.083 1.00 30.51 H new ATOM 0 HG22 VAL A 58 -1.656 -5.878 5.427 1.00 30.51 H new ATOM 0 HG23 VAL A 58 -2.209 -5.678 3.747 1.00 30.51 H new ATOM 910 N ALA A 59 -2.257 -0.969 3.966 1.00 53.42 N ATOM 911 CA ALA A 59 -2.081 0.495 3.863 1.00 60.52 C ATOM 912 C ALA A 59 -3.228 1.292 4.560 1.00 54.34 C ATOM 913 O ALA A 59 -3.024 2.437 4.988 1.00 75.40 O ATOM 914 CB ALA A 59 -1.947 0.880 2.390 1.00 33.42 C ATOM 0 H ALA A 59 -2.601 -1.399 3.107 1.00 53.42 H new ATOM 0 HA ALA A 59 -1.169 0.766 4.396 1.00 60.52 H new ATOM 0 HB1 ALA A 59 -1.817 1.959 2.306 1.00 33.42 H new ATOM 0 HB2 ALA A 59 -1.082 0.376 1.959 1.00 33.42 H new ATOM 0 HB3 ALA A 59 -2.847 0.580 1.852 1.00 33.42 H new ATOM 920 N LEU A 60 -4.428 0.691 4.657 1.00 24.02 N ATOM 921 CA LEU A 60 -5.585 1.283 5.387 1.00 33.34 C ATOM 922 C LEU A 60 -5.616 0.862 6.871 1.00 51.33 C ATOM 923 O LEU A 60 -6.299 1.508 7.677 1.00 50.24 O ATOM 924 CB LEU A 60 -6.923 0.893 4.697 1.00 74.12 C ATOM 925 CG LEU A 60 -7.204 1.572 3.319 1.00 54.10 C ATOM 926 CD1 LEU A 60 -8.516 1.045 2.698 1.00 44.42 C ATOM 927 CD2 LEU A 60 -7.233 3.111 3.458 1.00 43.32 C ATOM 0 H LEU A 60 -4.632 -0.216 4.236 1.00 24.02 H new ATOM 0 HA LEU A 60 -5.462 2.366 5.354 1.00 33.34 H new ATOM 0 HB2 LEU A 60 -6.935 -0.188 4.557 1.00 74.12 H new ATOM 0 HB3 LEU A 60 -7.742 1.136 5.374 1.00 74.12 H new ATOM 0 HG LEU A 60 -6.389 1.312 2.644 1.00 54.10 H new ATOM 0 HD11 LEU A 60 -8.687 1.535 1.739 1.00 44.42 H new ATOM 0 HD12 LEU A 60 -8.440 -0.032 2.547 1.00 44.42 H new ATOM 0 HD13 LEU A 60 -9.348 1.260 3.369 1.00 44.42 H new ATOM 0 HD21 LEU A 60 -7.430 3.561 2.485 1.00 43.32 H new ATOM 0 HD22 LEU A 60 -8.019 3.398 4.157 1.00 43.32 H new ATOM 0 HD23 LEU A 60 -6.270 3.461 3.831 1.00 43.32 H new ATOM 939 N SER A 61 -4.888 -0.228 7.220 1.00 54.51 N ATOM 940 CA SER A 61 -4.848 -0.769 8.607 1.00 61.54 C ATOM 941 C SER A 61 -4.358 0.292 9.604 1.00 30.23 C ATOM 942 O SER A 61 -3.407 1.029 9.313 1.00 14.20 O ATOM 943 CB SER A 61 -3.927 -2.015 8.703 1.00 31.31 C ATOM 944 OG SER A 61 -2.555 -1.668 8.556 1.00 21.42 O ATOM 0 H SER A 61 -4.317 -0.754 6.558 1.00 54.51 H new ATOM 0 HA SER A 61 -5.868 -1.058 8.861 1.00 61.54 H new ATOM 0 HB2 SER A 61 -4.077 -2.505 9.665 1.00 31.31 H new ATOM 0 HB3 SER A 61 -4.205 -2.733 7.932 1.00 31.31 H new ATOM 0 HG SER A 61 -2.352 -1.531 7.607 1.00 21.42 H new ATOM 950 N GLU A 62 -4.999 0.335 10.779 1.00 30.13 N ATOM 951 CA GLU A 62 -4.701 1.339 11.816 1.00 40.14 C ATOM 952 C GLU A 62 -3.302 1.100 12.429 1.00 11.03 C ATOM 953 O GLU A 62 -2.597 2.047 12.751 1.00 35.35 O ATOM 954 CB GLU A 62 -5.804 1.323 12.906 1.00 45.42 C ATOM 955 CG GLU A 62 -5.717 2.467 13.945 1.00 2.02 C ATOM 956 CD GLU A 62 -5.849 3.877 13.330 1.00 71.24 C ATOM 957 OE1 GLU A 62 -6.993 4.306 13.038 1.00 70.21 O ATOM 958 OE2 GLU A 62 -4.818 4.569 13.143 1.00 22.54 O ATOM 0 H GLU A 62 -5.736 -0.320 11.040 1.00 30.13 H new ATOM 0 HA GLU A 62 -4.691 2.326 11.354 1.00 40.14 H new ATOM 0 HB2 GLU A 62 -6.777 1.370 12.417 1.00 45.42 H new ATOM 0 HB3 GLU A 62 -5.758 0.370 13.433 1.00 45.42 H new ATOM 0 HG2 GLU A 62 -6.502 2.330 14.689 1.00 2.02 H new ATOM 0 HG3 GLU A 62 -4.764 2.397 14.470 1.00 2.02 H new ATOM 965 N LEU A 63 -2.897 -0.185 12.529 1.00 3.35 N ATOM 966 CA LEU A 63 -1.562 -0.582 13.054 1.00 61.14 C ATOM 967 C LEU A 63 -0.404 0.006 12.193 1.00 33.25 C ATOM 968 O LEU A 63 0.653 0.357 12.721 1.00 23.52 O ATOM 969 CB LEU A 63 -1.424 -2.134 13.153 1.00 62.31 C ATOM 970 CG LEU A 63 -2.307 -2.878 14.213 1.00 70.12 C ATOM 971 CD1 LEU A 63 -2.125 -2.286 15.626 1.00 54.15 C ATOM 972 CD2 LEU A 63 -3.794 -2.936 13.802 1.00 72.41 C ATOM 0 H LEU A 63 -3.479 -0.976 12.251 1.00 3.35 H new ATOM 0 HA LEU A 63 -1.484 -0.165 14.058 1.00 61.14 H new ATOM 0 HB2 LEU A 63 -1.651 -2.554 12.173 1.00 62.31 H new ATOM 0 HB3 LEU A 63 -0.380 -2.365 13.365 1.00 62.31 H new ATOM 0 HG LEU A 63 -1.953 -3.908 14.246 1.00 70.12 H new ATOM 0 HD11 LEU A 63 -2.754 -2.829 16.332 1.00 54.15 H new ATOM 0 HD12 LEU A 63 -1.081 -2.376 15.926 1.00 54.15 H new ATOM 0 HD13 LEU A 63 -2.411 -1.234 15.620 1.00 54.15 H new ATOM 0 HD21 LEU A 63 -4.363 -3.461 14.569 1.00 72.41 H new ATOM 0 HD22 LEU A 63 -4.181 -1.923 13.693 1.00 72.41 H new ATOM 0 HD23 LEU A 63 -3.889 -3.465 12.854 1.00 72.41 H new ATOM 984 N TYR A 64 -0.605 0.076 10.860 1.00 14.23 N ATOM 985 CA TYR A 64 0.318 0.804 9.953 1.00 13.21 C ATOM 986 C TYR A 64 0.150 2.330 10.108 1.00 30.24 C ATOM 987 O TYR A 64 1.138 3.057 10.304 1.00 3.02 O ATOM 988 CB TYR A 64 0.092 0.398 8.456 1.00 73.20 C ATOM 989 CG TYR A 64 0.636 1.420 7.416 1.00 61.41 C ATOM 990 CD1 TYR A 64 2.002 1.692 7.311 1.00 51.31 C ATOM 991 CD2 TYR A 64 -0.222 2.150 6.581 1.00 61.21 C ATOM 992 CE1 TYR A 64 2.481 2.635 6.418 1.00 12.05 C ATOM 993 CE2 TYR A 64 0.262 3.096 5.687 1.00 14.12 C ATOM 994 CZ TYR A 64 1.615 3.332 5.610 1.00 4.11 C ATOM 995 OH TYR A 64 2.110 4.277 4.725 1.00 31.31 O ATOM 0 H TYR A 64 -1.395 -0.361 10.385 1.00 14.23 H new ATOM 0 HA TYR A 64 1.333 0.526 10.236 1.00 13.21 H new ATOM 0 HB2 TYR A 64 0.567 -0.567 8.280 1.00 73.20 H new ATOM 0 HB3 TYR A 64 -0.976 0.263 8.288 1.00 73.20 H new ATOM 0 HD1 TYR A 64 2.698 1.156 7.939 1.00 51.31 H new ATOM 0 HD2 TYR A 64 -1.286 1.972 6.635 1.00 61.21 H new ATOM 0 HE1 TYR A 64 3.542 2.824 6.356 1.00 12.05 H new ATOM 0 HE2 TYR A 64 -0.421 3.644 5.055 1.00 14.12 H new ATOM 0 HH TYR A 64 3.070 4.132 4.595 1.00 31.31 H new ATOM 1005 N ARG A 65 -1.103 2.802 9.998 1.00 11.10 N ATOM 1006 CA ARG A 65 -1.388 4.231 9.815 1.00 22.34 C ATOM 1007 C ARG A 65 -0.967 5.066 11.041 1.00 50.22 C ATOM 1008 O ARG A 65 -0.225 6.009 10.881 1.00 2.34 O ATOM 1009 CB ARG A 65 -2.873 4.479 9.438 1.00 32.44 C ATOM 1010 CG ARG A 65 -3.202 5.969 9.149 1.00 64.15 C ATOM 1011 CD ARG A 65 -4.581 6.189 8.511 1.00 13.11 C ATOM 1012 NE ARG A 65 -4.612 5.721 7.114 1.00 42.22 N ATOM 1013 CZ ARG A 65 -4.474 6.488 6.042 1.00 14.42 C ATOM 1014 NH1 ARG A 65 -4.382 7.783 6.125 1.00 22.42 N ATOM 1015 NH2 ARG A 65 -4.450 5.948 4.884 1.00 3.42 N ATOM 0 H ARG A 65 -1.934 2.212 10.033 1.00 11.10 H new ATOM 0 HA ARG A 65 -0.780 4.568 8.975 1.00 22.34 H new ATOM 0 HB2 ARG A 65 -3.120 3.884 8.559 1.00 32.44 H new ATOM 0 HB3 ARG A 65 -3.509 4.126 10.250 1.00 32.44 H new ATOM 0 HG2 ARG A 65 -3.151 6.530 10.082 1.00 64.15 H new ATOM 0 HG3 ARG A 65 -2.437 6.378 8.489 1.00 64.15 H new ATOM 0 HD2 ARG A 65 -5.339 5.661 9.089 1.00 13.11 H new ATOM 0 HD3 ARG A 65 -4.834 7.249 8.546 1.00 13.11 H new ATOM 0 HE ARG A 65 -4.751 4.723 6.959 1.00 42.22 H new ATOM 0 HH11 ARG A 65 -4.415 8.239 7.037 1.00 22.42 H new ATOM 0 HH12 ARG A 65 -4.277 8.342 5.278 1.00 22.42 H new ATOM 0 HH21 ARG A 65 -4.537 4.936 4.791 1.00 3.42 H new ATOM 0 HH22 ARG A 65 -4.344 6.529 4.052 1.00 3.42 H new ATOM 1029 N GLU A 66 -1.397 4.689 12.262 1.00 12.51 N ATOM 1030 CA GLU A 66 -1.024 5.421 13.514 1.00 73.15 C ATOM 1031 C GLU A 66 0.512 5.439 13.756 1.00 14.23 C ATOM 1032 O GLU A 66 1.054 6.393 14.321 1.00 5.14 O ATOM 1033 CB GLU A 66 -1.746 4.808 14.746 1.00 75.14 C ATOM 1034 CG GLU A 66 -1.210 3.434 15.190 1.00 51.25 C ATOM 1035 CD GLU A 66 -1.991 2.817 16.360 1.00 50.32 C ATOM 1036 OE1 GLU A 66 -3.038 2.172 16.128 1.00 62.35 O ATOM 1037 OE2 GLU A 66 -1.570 2.990 17.525 1.00 44.24 O ATOM 0 H GLU A 66 -2.003 3.884 12.420 1.00 12.51 H new ATOM 0 HA GLU A 66 -1.348 6.453 13.381 1.00 73.15 H new ATOM 0 HB2 GLU A 66 -1.662 5.503 15.582 1.00 75.14 H new ATOM 0 HB3 GLU A 66 -2.807 4.712 14.517 1.00 75.14 H new ATOM 0 HG2 GLU A 66 -1.242 2.750 14.342 1.00 51.25 H new ATOM 0 HG3 GLU A 66 -0.164 3.537 15.477 1.00 51.25 H new ATOM 1044 N LYS A 67 1.193 4.379 13.296 1.00 11.33 N ATOM 1045 CA LYS A 67 2.650 4.199 13.456 1.00 34.34 C ATOM 1046 C LYS A 67 3.464 5.272 12.678 1.00 54.12 C ATOM 1047 O LYS A 67 4.579 5.629 13.070 1.00 34.53 O ATOM 1048 CB LYS A 67 3.011 2.760 12.992 1.00 1.42 C ATOM 1049 CG LYS A 67 4.510 2.411 12.982 1.00 53.40 C ATOM 1050 CD LYS A 67 4.785 0.938 12.608 1.00 33.24 C ATOM 1051 CE LYS A 67 6.286 0.658 12.450 1.00 44.10 C ATOM 1052 NZ LYS A 67 7.056 1.017 13.673 1.00 50.54 N ATOM 0 H LYS A 67 0.745 3.611 12.796 1.00 11.33 H new ATOM 0 HA LYS A 67 2.917 4.331 14.505 1.00 34.34 H new ATOM 0 HB2 LYS A 67 2.497 2.051 13.641 1.00 1.42 H new ATOM 0 HB3 LYS A 67 2.618 2.614 11.986 1.00 1.42 H new ATOM 0 HG2 LYS A 67 5.024 3.062 12.274 1.00 53.40 H new ATOM 0 HG3 LYS A 67 4.931 2.615 13.966 1.00 53.40 H new ATOM 0 HD2 LYS A 67 4.373 0.285 13.377 1.00 33.24 H new ATOM 0 HD3 LYS A 67 4.271 0.698 11.677 1.00 33.24 H new ATOM 0 HE2 LYS A 67 6.435 -0.398 12.225 1.00 44.10 H new ATOM 0 HE3 LYS A 67 6.672 1.222 11.601 1.00 44.10 H new ATOM 0 HZ1 LYS A 67 8.038 0.688 13.574 1.00 50.54 H new ATOM 0 HZ2 LYS A 67 7.048 2.049 13.798 1.00 50.54 H new ATOM 0 HZ3 LYS A 67 6.621 0.565 14.502 1.00 50.54 H new ATOM 1066 N PHE A 68 2.911 5.750 11.552 1.00 53.50 N ATOM 1067 CA PHE A 68 3.544 6.812 10.721 1.00 4.25 C ATOM 1068 C PHE A 68 2.761 8.158 10.702 1.00 62.43 C ATOM 1069 O PHE A 68 3.322 9.187 10.356 1.00 50.01 O ATOM 1070 CB PHE A 68 3.770 6.259 9.291 1.00 53.31 C ATOM 1071 CG PHE A 68 4.732 5.067 9.257 1.00 53.41 C ATOM 1072 CD1 PHE A 68 6.113 5.266 9.305 1.00 64.11 C ATOM 1073 CD2 PHE A 68 4.262 3.759 9.201 1.00 14.32 C ATOM 1074 CE1 PHE A 68 6.983 4.198 9.297 1.00 22.11 C ATOM 1075 CE2 PHE A 68 5.135 2.692 9.196 1.00 55.02 C ATOM 1076 CZ PHE A 68 6.494 2.913 9.240 1.00 44.13 C ATOM 0 H PHE A 68 2.018 5.420 11.185 1.00 53.50 H new ATOM 0 HA PHE A 68 4.499 7.063 11.182 1.00 4.25 H new ATOM 0 HB2 PHE A 68 2.812 5.958 8.868 1.00 53.31 H new ATOM 0 HB3 PHE A 68 4.163 7.054 8.657 1.00 53.31 H new ATOM 0 HD1 PHE A 68 6.505 6.271 9.349 1.00 64.11 H new ATOM 0 HD2 PHE A 68 3.198 3.577 9.161 1.00 14.32 H new ATOM 0 HE1 PHE A 68 8.049 4.369 9.335 1.00 22.11 H new ATOM 0 HE2 PHE A 68 4.753 1.682 9.158 1.00 55.02 H new ATOM 0 HZ PHE A 68 7.177 2.076 9.230 1.00 44.13 H new ATOM 1086 N PHE A 69 1.463 8.134 11.027 1.00 3.22 N ATOM 1087 CA PHE A 69 0.581 9.340 11.025 1.00 25.01 C ATOM 1088 C PHE A 69 0.498 10.017 12.424 1.00 12.04 C ATOM 1089 O PHE A 69 0.441 11.245 12.524 1.00 45.42 O ATOM 1090 CB PHE A 69 -0.833 8.975 10.498 1.00 52.41 C ATOM 1091 CG PHE A 69 -1.758 10.174 10.284 1.00 31.14 C ATOM 1092 CD1 PHE A 69 -1.501 11.091 9.268 1.00 34.15 C ATOM 1093 CD2 PHE A 69 -2.872 10.389 11.095 1.00 73.12 C ATOM 1094 CE1 PHE A 69 -2.323 12.183 9.079 1.00 25.31 C ATOM 1095 CE2 PHE A 69 -3.691 11.483 10.900 1.00 61.30 C ATOM 1096 CZ PHE A 69 -3.414 12.379 9.893 1.00 4.42 C ATOM 0 H PHE A 69 0.978 7.280 11.302 1.00 3.22 H new ATOM 0 HA PHE A 69 1.030 10.070 10.351 1.00 25.01 H new ATOM 0 HB2 PHE A 69 -0.728 8.440 9.554 1.00 52.41 H new ATOM 0 HB3 PHE A 69 -1.304 8.290 11.203 1.00 52.41 H new ATOM 0 HD1 PHE A 69 -0.649 10.946 8.621 1.00 34.15 H new ATOM 0 HD2 PHE A 69 -3.097 9.690 11.887 1.00 73.12 H new ATOM 0 HE1 PHE A 69 -2.109 12.887 8.288 1.00 25.31 H new ATOM 0 HE2 PHE A 69 -4.549 11.636 11.538 1.00 61.30 H new ATOM 0 HZ PHE A 69 -4.053 13.236 9.742 1.00 4.42 H new ATOM 1106 N HIS A 70 0.425 9.204 13.501 1.00 71.14 N ATOM 1107 CA HIS A 70 0.368 9.720 14.905 1.00 24.21 C ATOM 1108 C HIS A 70 1.791 9.890 15.499 1.00 20.32 C ATOM 1109 O HIS A 70 1.976 10.586 16.502 1.00 52.10 O ATOM 1110 CB HIS A 70 -0.496 8.780 15.803 1.00 21.42 C ATOM 1111 CG HIS A 70 -1.944 8.659 15.384 1.00 74.43 C ATOM 1112 ND1 HIS A 70 -2.830 7.758 15.943 1.00 73.40 N ATOM 1113 CD2 HIS A 70 -2.655 9.334 14.459 1.00 35.42 C ATOM 1114 CE1 HIS A 70 -4.012 7.888 15.374 1.00 50.32 C ATOM 1115 NE2 HIS A 70 -3.933 8.839 14.476 1.00 74.11 N ATOM 0 H HIS A 70 0.404 8.186 13.435 1.00 71.14 H new ATOM 0 HA HIS A 70 -0.103 10.702 14.881 1.00 24.21 H new ATOM 0 HB2 HIS A 70 -0.048 7.786 15.802 1.00 21.42 H new ATOM 0 HB3 HIS A 70 -0.458 9.145 16.829 1.00 21.42 H new ATOM 0 HD2 HIS A 70 -2.285 10.122 13.820 1.00 35.42 H new ATOM 0 HE1 HIS A 70 -4.894 7.310 15.608 1.00 50.32 H new ATOM 0 HE2 HIS A 70 -4.700 9.160 13.884 1.00 74.11 H new ATOM 1124 N ASN A 71 2.788 9.238 14.869 1.00 64.51 N ATOM 1125 CA ASN A 71 4.214 9.341 15.260 1.00 70.42 C ATOM 1126 C ASN A 71 4.972 10.384 14.384 1.00 3.24 C ATOM 1127 O ASN A 71 6.004 10.923 14.805 1.00 55.34 O ATOM 1128 CB ASN A 71 4.858 7.935 15.168 1.00 5.04 C ATOM 1129 CG ASN A 71 6.313 7.874 15.638 1.00 32.04 C ATOM 1130 OD1 ASN A 71 6.528 7.697 16.929 1.00 24.54 O flip ATOM 1131 ND2 ASN A 71 7.241 8.001 14.847 1.00 70.43 N flip ATOM 0 H ASN A 71 2.630 8.622 14.071 1.00 64.51 H new ATOM 0 HA ASN A 71 4.284 9.698 16.287 1.00 70.42 H new ATOM 0 HB2 ASN A 71 4.267 7.239 15.763 1.00 5.04 H new ATOM 0 HB3 ASN A 71 4.808 7.593 14.134 1.00 5.04 H new ATOM 0 HD21 ASN A 71 7.050 8.137 13.854 1.00 70.43 H new ATOM 0 HD22 ASN A 71 8.204 7.971 15.182 1.00 70.43 H new ATOM 1138 N ASN A 72 4.435 10.694 13.176 1.00 32.43 N ATOM 1139 CA ASN A 72 5.045 11.677 12.224 1.00 25.11 C ATOM 1140 C ASN A 72 3.952 12.619 11.648 1.00 12.02 C ATOM 1141 O ASN A 72 2.782 12.251 11.589 1.00 32.32 O ATOM 1142 CB ASN A 72 5.768 10.974 11.035 1.00 63.21 C ATOM 1143 CG ASN A 72 6.866 10.000 11.456 1.00 73.01 C ATOM 1144 OD1 ASN A 72 6.516 8.742 11.621 1.00 13.51 O flip ATOM 1145 ND2 ASN A 72 8.019 10.375 11.622 1.00 52.33 N flip ATOM 0 H ASN A 72 3.572 10.276 12.830 1.00 32.43 H new ATOM 0 HA ASN A 72 5.781 12.247 12.791 1.00 25.11 H new ATOM 0 HB2 ASN A 72 5.028 10.436 10.442 1.00 63.21 H new ATOM 0 HB3 ASN A 72 6.203 11.736 10.387 1.00 63.21 H new ATOM 0 HD21 ASN A 72 8.260 11.357 11.487 1.00 52.33 H new ATOM 0 HD22 ASN A 72 8.739 9.706 11.896 1.00 52.33 H new ATOM 1152 N ALA A 73 4.364 13.821 11.206 1.00 22.33 N ATOM 1153 CA ALA A 73 3.469 14.816 10.547 1.00 5.02 C ATOM 1154 C ALA A 73 2.981 14.306 9.165 1.00 60.23 C ATOM 1155 O ALA A 73 3.720 13.605 8.489 1.00 75.13 O ATOM 1156 CB ALA A 73 4.203 16.161 10.398 1.00 65.33 C ATOM 0 H ALA A 73 5.329 14.140 11.292 1.00 22.33 H new ATOM 0 HA ALA A 73 2.590 14.957 11.176 1.00 5.02 H new ATOM 0 HB1 ALA A 73 3.544 16.884 9.916 1.00 65.33 H new ATOM 0 HB2 ALA A 73 4.489 16.531 11.383 1.00 65.33 H new ATOM 0 HB3 ALA A 73 5.097 16.022 9.789 1.00 65.33 H new ATOM 1162 N HIS A 74 1.712 14.612 8.787 1.00 22.12 N ATOM 1163 CA HIS A 74 1.091 14.133 7.516 1.00 10.31 C ATOM 1164 C HIS A 74 1.965 14.431 6.262 1.00 2.23 C ATOM 1165 O HIS A 74 1.964 13.644 5.323 1.00 35.31 O ATOM 1166 CB HIS A 74 -0.331 14.721 7.335 1.00 53.02 C ATOM 1167 CG HIS A 74 -1.044 14.243 6.080 1.00 54.44 C ATOM 1168 ND1 HIS A 74 -1.310 12.975 5.658 1.00 71.53 N flip ATOM 1169 CD2 HIS A 74 -1.505 15.121 5.132 1.00 72.53 C flip ATOM 1170 CE1 HIS A 74 -1.933 13.080 4.447 1.00 45.51 C flip ATOM 1171 NE2 HIS A 74 -2.024 14.384 4.175 1.00 23.34 N flip ATOM 0 H HIS A 74 1.091 15.194 9.349 1.00 22.12 H new ATOM 0 HA HIS A 74 1.019 13.049 7.602 1.00 10.31 H new ATOM 0 HB2 HIS A 74 -0.934 14.460 8.205 1.00 53.02 H new ATOM 0 HB3 HIS A 74 -0.263 15.809 7.309 1.00 53.02 H new ATOM 0 HD1 HIS A 74 -1.086 12.111 6.153 1.00 71.53 H new ATOM 0 HD2 HIS A 74 -1.452 16.199 5.165 1.00 72.53 H new ATOM 0 HE1 HIS A 74 -2.284 12.266 3.829 1.00 45.51 H new ATOM 1179 N ASN A 75 2.707 15.556 6.270 1.00 41.41 N ATOM 1180 CA ASN A 75 3.714 15.877 5.215 1.00 14.15 C ATOM 1181 C ASN A 75 4.745 14.722 5.071 1.00 65.44 C ATOM 1182 O ASN A 75 5.031 14.246 3.964 1.00 51.42 O ATOM 1183 CB ASN A 75 4.447 17.194 5.577 1.00 11.50 C ATOM 1184 CG ASN A 75 5.493 17.631 4.541 1.00 25.04 C ATOM 1185 OD1 ASN A 75 5.309 17.470 3.339 1.00 74.22 O ATOM 1186 ND2 ASN A 75 6.609 18.167 4.998 1.00 4.12 N ATOM 0 H ASN A 75 2.634 16.268 6.997 1.00 41.41 H new ATOM 0 HA ASN A 75 3.196 15.998 4.264 1.00 14.15 H new ATOM 0 HB2 ASN A 75 3.710 17.989 5.691 1.00 11.50 H new ATOM 0 HB3 ASN A 75 4.936 17.072 6.543 1.00 11.50 H new ATOM 0 HD21 ASN A 75 7.339 18.457 4.348 1.00 4.12 H new ATOM 0 HD22 ASN A 75 6.741 18.292 6.002 1.00 4.12 H new ATOM 1193 N ARG A 76 5.270 14.283 6.225 1.00 33.34 N ATOM 1194 CA ARG A 76 6.204 13.146 6.325 1.00 35.25 C ATOM 1195 C ARG A 76 5.497 11.819 5.957 1.00 62.45 C ATOM 1196 O ARG A 76 6.090 10.968 5.312 1.00 64.22 O ATOM 1197 CB ARG A 76 6.782 13.070 7.768 1.00 72.05 C ATOM 1198 CG ARG A 76 7.970 12.099 7.969 1.00 64.34 C ATOM 1199 CD ARG A 76 9.192 12.473 7.111 1.00 14.31 C ATOM 1200 NE ARG A 76 9.606 13.878 7.303 1.00 61.33 N ATOM 1201 CZ ARG A 76 10.620 14.471 6.711 1.00 72.10 C ATOM 1202 NH1 ARG A 76 11.418 13.828 5.920 1.00 64.51 N ATOM 1203 NH2 ARG A 76 10.827 15.725 6.914 1.00 65.25 N ATOM 0 H ARG A 76 5.057 14.711 7.126 1.00 33.34 H new ATOM 0 HA ARG A 76 7.020 13.299 5.619 1.00 35.25 H new ATOM 0 HB2 ARG A 76 7.100 14.069 8.064 1.00 72.05 H new ATOM 0 HB3 ARG A 76 5.980 12.777 8.445 1.00 72.05 H new ATOM 0 HG2 ARG A 76 8.257 12.094 9.021 1.00 64.34 H new ATOM 0 HG3 ARG A 76 7.653 11.086 7.721 1.00 64.34 H new ATOM 0 HD2 ARG A 76 10.024 11.815 7.362 1.00 14.31 H new ATOM 0 HD3 ARG A 76 8.959 12.306 6.059 1.00 14.31 H new ATOM 0 HE ARG A 76 9.056 14.439 7.953 1.00 61.33 H new ATOM 0 HH11 ARG A 76 11.269 12.835 5.742 1.00 64.51 H new ATOM 0 HH12 ARG A 76 12.196 14.315 5.475 1.00 64.51 H new ATOM 0 HH21 ARG A 76 10.207 16.251 7.530 1.00 65.25 H new ATOM 0 HH22 ARG A 76 11.611 16.193 6.459 1.00 65.25 H new ATOM 1217 N PHE A 77 4.214 11.669 6.365 1.00 65.13 N ATOM 1218 CA PHE A 77 3.383 10.470 6.064 1.00 21.23 C ATOM 1219 C PHE A 77 3.132 10.321 4.537 1.00 54.40 C ATOM 1220 O PHE A 77 2.987 9.206 4.042 1.00 21.21 O ATOM 1221 CB PHE A 77 2.041 10.532 6.852 1.00 43.31 C ATOM 1222 CG PHE A 77 1.088 9.349 6.626 1.00 42.44 C ATOM 1223 CD1 PHE A 77 1.372 8.091 7.156 1.00 75.15 C ATOM 1224 CD2 PHE A 77 -0.091 9.494 5.883 1.00 1.52 C ATOM 1225 CE1 PHE A 77 0.520 7.018 6.950 1.00 23.42 C ATOM 1226 CE2 PHE A 77 -0.941 8.421 5.678 1.00 74.22 C ATOM 1227 CZ PHE A 77 -0.639 7.184 6.215 1.00 73.04 C ATOM 0 H PHE A 77 3.722 12.375 6.913 1.00 65.13 H new ATOM 0 HA PHE A 77 3.932 9.586 6.388 1.00 21.23 H new ATOM 0 HB2 PHE A 77 2.267 10.596 7.916 1.00 43.31 H new ATOM 0 HB3 PHE A 77 1.522 11.451 6.580 1.00 43.31 H new ATOM 0 HD1 PHE A 77 2.271 7.951 7.737 1.00 75.15 H new ATOM 0 HD2 PHE A 77 -0.340 10.458 5.464 1.00 1.52 H new ATOM 0 HE1 PHE A 77 0.762 6.050 7.364 1.00 23.42 H new ATOM 0 HE2 PHE A 77 -1.842 8.551 5.097 1.00 74.22 H new ATOM 0 HZ PHE A 77 -1.307 6.349 6.061 1.00 73.04 H new ATOM 1237 N ILE A 78 3.084 11.456 3.811 1.00 72.35 N ATOM 1238 CA ILE A 78 3.029 11.476 2.327 1.00 1.23 C ATOM 1239 C ILE A 78 4.360 10.945 1.738 1.00 52.51 C ATOM 1240 O ILE A 78 4.361 10.079 0.866 1.00 12.54 O ATOM 1241 CB ILE A 78 2.723 12.930 1.789 1.00 73.11 C ATOM 1242 CG1 ILE A 78 1.294 13.385 2.232 1.00 51.22 C ATOM 1243 CG2 ILE A 78 2.879 13.037 0.248 1.00 50.00 C ATOM 1244 CD1 ILE A 78 0.970 14.841 1.931 1.00 60.50 C ATOM 0 H ILE A 78 3.082 12.385 4.232 1.00 72.35 H new ATOM 0 HA ILE A 78 2.217 10.824 2.005 1.00 1.23 H new ATOM 0 HB ILE A 78 3.463 13.599 2.229 1.00 73.11 H new ATOM 0 HG12 ILE A 78 0.556 12.753 1.738 1.00 51.22 H new ATOM 0 HG13 ILE A 78 1.190 13.218 3.304 1.00 51.22 H new ATOM 0 HG21 ILE A 78 2.658 14.056 -0.070 1.00 50.00 H new ATOM 0 HG22 ILE A 78 3.901 12.783 -0.033 1.00 50.00 H new ATOM 0 HG23 ILE A 78 2.188 12.347 -0.236 1.00 50.00 H new ATOM 0 HD11 ILE A 78 -0.040 15.067 2.272 1.00 60.50 H new ATOM 0 HD12 ILE A 78 1.681 15.486 2.448 1.00 60.50 H new ATOM 0 HD13 ILE A 78 1.037 15.014 0.857 1.00 60.50 H new ATOM 1256 N GLU A 79 5.490 11.455 2.262 1.00 25.32 N ATOM 1257 CA GLU A 79 6.843 10.977 1.885 1.00 33.43 C ATOM 1258 C GLU A 79 7.004 9.457 2.134 1.00 33.24 C ATOM 1259 O GLU A 79 7.623 8.737 1.335 1.00 11.12 O ATOM 1260 CB GLU A 79 7.922 11.765 2.670 1.00 12.14 C ATOM 1261 CG GLU A 79 7.932 13.283 2.388 1.00 60.14 C ATOM 1262 CD GLU A 79 9.007 14.040 3.186 1.00 23.40 C ATOM 1263 OE1 GLU A 79 10.211 13.755 2.982 1.00 32.40 O ATOM 1264 OE2 GLU A 79 8.662 14.917 4.014 1.00 61.24 O ATOM 0 H GLU A 79 5.497 12.204 2.954 1.00 25.32 H new ATOM 0 HA GLU A 79 6.972 11.152 0.817 1.00 33.43 H new ATOM 0 HB2 GLU A 79 7.766 11.607 3.737 1.00 12.14 H new ATOM 0 HB3 GLU A 79 8.903 11.356 2.427 1.00 12.14 H new ATOM 0 HG2 GLU A 79 8.096 13.447 1.323 1.00 60.14 H new ATOM 0 HG3 GLU A 79 6.952 13.697 2.627 1.00 60.14 H new ATOM 1271 N LEU A 80 6.403 8.998 3.240 1.00 13.00 N ATOM 1272 CA LEU A 80 6.433 7.598 3.676 1.00 42.32 C ATOM 1273 C LEU A 80 5.565 6.696 2.770 1.00 22.22 C ATOM 1274 O LEU A 80 6.077 5.727 2.232 1.00 14.40 O ATOM 1275 CB LEU A 80 6.005 7.514 5.166 1.00 24.13 C ATOM 1276 CG LEU A 80 7.036 8.129 6.175 1.00 70.40 C ATOM 1277 CD1 LEU A 80 6.420 8.361 7.572 1.00 3.42 C ATOM 1278 CD2 LEU A 80 8.317 7.263 6.253 1.00 61.32 C ATOM 0 H LEU A 80 5.873 9.602 3.868 1.00 13.00 H new ATOM 0 HA LEU A 80 7.452 7.222 3.586 1.00 42.32 H new ATOM 0 HB2 LEU A 80 5.050 8.025 5.286 1.00 24.13 H new ATOM 0 HB3 LEU A 80 5.842 6.468 5.425 1.00 24.13 H new ATOM 0 HG LEU A 80 7.316 9.111 5.793 1.00 70.40 H new ATOM 0 HD11 LEU A 80 7.172 8.788 8.235 1.00 3.42 H new ATOM 0 HD12 LEU A 80 5.578 9.048 7.489 1.00 3.42 H new ATOM 0 HD13 LEU A 80 6.074 7.411 7.980 1.00 3.42 H new ATOM 0 HD21 LEU A 80 9.016 7.711 6.959 1.00 61.32 H new ATOM 0 HD22 LEU A 80 8.057 6.258 6.587 1.00 61.32 H new ATOM 0 HD23 LEU A 80 8.781 7.210 5.268 1.00 61.32 H new ATOM 1290 N ASN A 81 4.271 7.035 2.561 1.00 61.43 N ATOM 1291 CA ASN A 81 3.347 6.178 1.757 1.00 35.20 C ATOM 1292 C ASN A 81 3.783 6.101 0.260 1.00 20.33 C ATOM 1293 O ASN A 81 3.551 5.100 -0.402 1.00 44.40 O ATOM 1294 CB ASN A 81 1.839 6.580 1.933 1.00 43.01 C ATOM 1295 CG ASN A 81 1.458 8.003 1.497 1.00 25.04 C ATOM 1296 OD1 ASN A 81 2.013 8.569 0.572 1.00 2.54 O ATOM 1297 ND2 ASN A 81 0.476 8.590 2.163 1.00 64.12 N ATOM 0 H ASN A 81 3.841 7.883 2.930 1.00 61.43 H new ATOM 0 HA ASN A 81 3.428 5.167 2.157 1.00 35.20 H new ATOM 0 HB2 ASN A 81 1.229 5.875 1.369 1.00 43.01 H new ATOM 0 HB3 ASN A 81 1.574 6.462 2.984 1.00 43.01 H new ATOM 0 HD21 ASN A 81 0.174 9.529 1.904 1.00 64.12 H new ATOM 0 HD22 ASN A 81 0.021 8.103 2.935 1.00 64.12 H new ATOM 1304 N PHE A 82 4.435 7.163 -0.248 1.00 31.43 N ATOM 1305 CA PHE A 82 5.088 7.148 -1.586 1.00 74.23 C ATOM 1306 C PHE A 82 6.217 6.084 -1.677 1.00 32.35 C ATOM 1307 O PHE A 82 6.228 5.270 -2.597 1.00 62.43 O ATOM 1308 CB PHE A 82 5.655 8.556 -1.927 1.00 73.50 C ATOM 1309 CG PHE A 82 4.673 9.498 -2.629 1.00 72.13 C ATOM 1310 CD1 PHE A 82 3.481 9.882 -2.024 1.00 50.10 C ATOM 1311 CD2 PHE A 82 4.958 10.009 -3.892 1.00 51.21 C ATOM 1312 CE1 PHE A 82 2.610 10.746 -2.653 1.00 53.34 C ATOM 1313 CE2 PHE A 82 4.084 10.869 -4.519 1.00 23.42 C ATOM 1314 CZ PHE A 82 2.914 11.240 -3.901 1.00 75.11 C ATOM 0 H PHE A 82 4.528 8.051 0.245 1.00 31.43 H new ATOM 0 HA PHE A 82 4.323 6.878 -2.314 1.00 74.23 H new ATOM 0 HB2 PHE A 82 5.991 9.029 -1.004 1.00 73.50 H new ATOM 0 HB3 PHE A 82 6.533 8.433 -2.561 1.00 73.50 H new ATOM 0 HD1 PHE A 82 3.234 9.497 -1.046 1.00 50.10 H new ATOM 0 HD2 PHE A 82 5.876 9.728 -4.386 1.00 51.21 H new ATOM 0 HE1 PHE A 82 1.690 11.035 -2.167 1.00 53.34 H new ATOM 0 HE2 PHE A 82 4.319 11.253 -5.500 1.00 23.42 H new ATOM 0 HZ PHE A 82 2.234 11.919 -4.394 1.00 75.11 H new ATOM 1324 N LYS A 83 7.176 6.109 -0.731 1.00 64.55 N ATOM 1325 CA LYS A 83 8.327 5.160 -0.740 1.00 74.02 C ATOM 1326 C LYS A 83 7.899 3.722 -0.340 1.00 42.01 C ATOM 1327 O LYS A 83 8.559 2.746 -0.698 1.00 64.22 O ATOM 1328 CB LYS A 83 9.490 5.678 0.147 1.00 22.34 C ATOM 1329 CG LYS A 83 9.227 5.695 1.668 1.00 35.45 C ATOM 1330 CD LYS A 83 10.403 6.295 2.492 1.00 22.21 C ATOM 1331 CE LYS A 83 10.478 7.846 2.458 1.00 73.52 C ATOM 1332 NZ LYS A 83 10.691 8.414 1.096 1.00 71.22 N ATOM 0 H LYS A 83 7.185 6.768 0.048 1.00 64.55 H new ATOM 0 HA LYS A 83 8.692 5.106 -1.765 1.00 74.02 H new ATOM 0 HB2 LYS A 83 10.368 5.060 -0.043 1.00 22.34 H new ATOM 0 HB3 LYS A 83 9.738 6.691 -0.170 1.00 22.34 H new ATOM 0 HG2 LYS A 83 8.323 6.271 1.866 1.00 35.45 H new ATOM 0 HG3 LYS A 83 9.037 4.677 2.008 1.00 35.45 H new ATOM 0 HD2 LYS A 83 10.309 5.970 3.528 1.00 22.21 H new ATOM 0 HD3 LYS A 83 11.341 5.889 2.114 1.00 22.21 H new ATOM 0 HE2 LYS A 83 9.554 8.253 2.870 1.00 73.52 H new ATOM 0 HE3 LYS A 83 11.289 8.174 3.108 1.00 73.52 H new ATOM 0 HZ1 LYS A 83 11.141 9.348 1.176 1.00 71.22 H new ATOM 0 HZ2 LYS A 83 11.306 7.779 0.547 1.00 71.22 H new ATOM 0 HZ3 LYS A 83 9.775 8.511 0.613 1.00 71.22 H new ATOM 1346 N HIS A 84 6.801 3.621 0.420 1.00 75.21 N ATOM 1347 CA HIS A 84 6.240 2.330 0.865 1.00 34.12 C ATOM 1348 C HIS A 84 5.446 1.605 -0.252 1.00 74.21 C ATOM 1349 O HIS A 84 5.645 0.411 -0.502 1.00 71.24 O ATOM 1350 CB HIS A 84 5.313 2.567 2.093 1.00 50.21 C ATOM 1351 CG HIS A 84 6.018 2.963 3.369 1.00 12.05 C ATOM 1352 ND1 HIS A 84 5.381 3.635 4.396 1.00 45.12 N ATOM 1353 CD2 HIS A 84 7.276 2.722 3.815 1.00 52.01 C ATOM 1354 CE1 HIS A 84 6.209 3.782 5.408 1.00 61.14 C ATOM 1355 NE2 HIS A 84 7.360 3.237 5.085 1.00 54.11 N ATOM 0 H HIS A 84 6.273 4.430 0.746 1.00 75.21 H new ATOM 0 HA HIS A 84 7.078 1.686 1.133 1.00 34.12 H new ATOM 0 HB2 HIS A 84 4.593 3.345 1.839 1.00 50.21 H new ATOM 0 HB3 HIS A 84 4.745 1.656 2.279 1.00 50.21 H new ATOM 0 HD2 HIS A 84 8.064 2.220 3.273 1.00 52.01 H new ATOM 0 HE1 HIS A 84 5.981 4.268 6.345 1.00 61.14 H new ATOM 0 HE2 HIS A 84 8.185 3.202 5.683 1.00 54.11 H new ATOM 1364 N LEU A 85 4.564 2.354 -0.927 1.00 54.13 N ATOM 1365 CA LEU A 85 3.571 1.788 -1.871 1.00 3.32 C ATOM 1366 C LEU A 85 4.037 1.884 -3.348 1.00 5.21 C ATOM 1367 O LEU A 85 3.678 1.047 -4.176 1.00 34.03 O ATOM 1368 CB LEU A 85 2.235 2.559 -1.674 1.00 65.53 C ATOM 1369 CG LEU A 85 1.597 2.484 -0.240 1.00 3.23 C ATOM 1370 CD1 LEU A 85 0.431 3.488 -0.083 1.00 13.54 C ATOM 1371 CD2 LEU A 85 1.133 1.049 0.089 1.00 34.52 C ATOM 0 H LEU A 85 4.513 3.369 -0.839 1.00 54.13 H new ATOM 0 HA LEU A 85 3.446 0.726 -1.658 1.00 3.32 H new ATOM 0 HB2 LEU A 85 2.405 3.607 -1.919 1.00 65.53 H new ATOM 0 HB3 LEU A 85 1.510 2.177 -2.392 1.00 65.53 H new ATOM 0 HG LEU A 85 2.372 2.762 0.474 1.00 3.23 H new ATOM 0 HD11 LEU A 85 0.014 3.408 0.921 1.00 13.54 H new ATOM 0 HD12 LEU A 85 0.799 4.501 -0.243 1.00 13.54 H new ATOM 0 HD13 LEU A 85 -0.344 3.264 -0.816 1.00 13.54 H new ATOM 0 HD21 LEU A 85 0.696 1.028 1.087 1.00 34.52 H new ATOM 0 HD22 LEU A 85 0.388 0.731 -0.640 1.00 34.52 H new ATOM 0 HD23 LEU A 85 1.987 0.373 0.053 1.00 34.52 H new ATOM 1383 N LEU A 86 4.845 2.906 -3.662 1.00 30.03 N ATOM 1384 CA LEU A 86 5.356 3.163 -5.041 1.00 23.14 C ATOM 1385 C LEU A 86 6.887 2.958 -5.123 1.00 72.04 C ATOM 1386 O LEU A 86 7.433 2.707 -6.201 1.00 24.33 O ATOM 1387 CB LEU A 86 4.986 4.614 -5.459 1.00 20.24 C ATOM 1388 CG LEU A 86 3.456 4.932 -5.484 1.00 22.50 C ATOM 1389 CD1 LEU A 86 3.191 6.453 -5.601 1.00 70.13 C ATOM 1390 CD2 LEU A 86 2.757 4.142 -6.614 1.00 22.20 C ATOM 0 H LEU A 86 5.171 3.586 -2.975 1.00 30.03 H new ATOM 0 HA LEU A 86 4.892 2.451 -5.723 1.00 23.14 H new ATOM 0 HB2 LEU A 86 5.473 5.307 -4.774 1.00 20.24 H new ATOM 0 HB3 LEU A 86 5.396 4.805 -6.451 1.00 20.24 H new ATOM 0 HG LEU A 86 3.029 4.610 -4.534 1.00 22.50 H new ATOM 0 HD11 LEU A 86 2.116 6.635 -5.615 1.00 70.13 H new ATOM 0 HD12 LEU A 86 3.635 6.966 -4.748 1.00 70.13 H new ATOM 0 HD13 LEU A 86 3.635 6.830 -6.522 1.00 70.13 H new ATOM 0 HD21 LEU A 86 1.692 4.376 -6.617 1.00 22.20 H new ATOM 0 HD22 LEU A 86 3.192 4.419 -7.574 1.00 22.20 H new ATOM 0 HD23 LEU A 86 2.893 3.073 -6.449 1.00 22.20 H new ATOM 1402 N GLY A 87 7.570 3.083 -3.973 1.00 14.04 N ATOM 1403 CA GLY A 87 9.031 2.969 -3.911 1.00 12.25 C ATOM 1404 C GLY A 87 9.775 4.197 -4.443 1.00 11.12 C ATOM 1405 O GLY A 87 10.864 4.064 -5.006 1.00 65.44 O ATOM 0 H GLY A 87 7.128 3.264 -3.072 1.00 14.04 H new ATOM 0 HA2 GLY A 87 9.328 2.797 -2.876 1.00 12.25 H new ATOM 0 HA3 GLY A 87 9.341 2.094 -4.482 1.00 12.25 H new ATOM 1409 N ARG A 88 9.194 5.398 -4.253 1.00 13.11 N ATOM 1410 CA ARG A 88 9.789 6.674 -4.736 1.00 2.44 C ATOM 1411 C ARG A 88 9.611 7.830 -3.715 1.00 72.22 C ATOM 1412 O ARG A 88 8.893 7.702 -2.722 1.00 34.22 O ATOM 1413 CB ARG A 88 9.181 7.058 -6.115 1.00 11.14 C ATOM 1414 CG ARG A 88 7.659 7.353 -6.109 1.00 5.34 C ATOM 1415 CD ARG A 88 7.144 7.787 -7.496 1.00 10.33 C ATOM 1416 NE ARG A 88 5.707 8.111 -7.493 1.00 3.11 N ATOM 1417 CZ ARG A 88 5.188 9.321 -7.486 1.00 11.22 C ATOM 1418 NH1 ARG A 88 5.936 10.379 -7.387 1.00 50.13 N ATOM 1419 NH2 ARG A 88 3.911 9.462 -7.588 1.00 30.54 N ATOM 0 H ARG A 88 8.306 5.518 -3.765 1.00 13.11 H new ATOM 0 HA ARG A 88 10.861 6.515 -4.849 1.00 2.44 H new ATOM 0 HB2 ARG A 88 9.703 7.937 -6.492 1.00 11.14 H new ATOM 0 HB3 ARG A 88 9.374 6.247 -6.817 1.00 11.14 H new ATOM 0 HG2 ARG A 88 7.119 6.463 -5.785 1.00 5.34 H new ATOM 0 HG3 ARG A 88 7.446 8.137 -5.382 1.00 5.34 H new ATOM 0 HD2 ARG A 88 7.708 8.657 -7.832 1.00 10.33 H new ATOM 0 HD3 ARG A 88 7.331 6.989 -8.214 1.00 10.33 H new ATOM 0 HE ARG A 88 5.055 7.327 -7.497 1.00 3.11 H new ATOM 0 HH11 ARG A 88 6.949 10.282 -7.313 1.00 50.13 H new ATOM 0 HH12 ARG A 88 5.510 11.306 -7.384 1.00 50.13 H new ATOM 0 HH21 ARG A 88 3.312 8.641 -7.673 1.00 30.54 H new ATOM 0 HH22 ARG A 88 3.499 10.395 -7.584 1.00 30.54 H new ATOM 1433 N ALA A 89 10.266 8.975 -3.993 1.00 14.53 N ATOM 1434 CA ALA A 89 10.290 10.152 -3.089 1.00 41.30 C ATOM 1435 C ALA A 89 9.555 11.363 -3.730 1.00 15.21 C ATOM 1436 O ALA A 89 9.916 11.768 -4.847 1.00 0.25 O ATOM 1437 CB ALA A 89 11.749 10.514 -2.746 1.00 33.45 C ATOM 0 H ALA A 89 10.796 9.114 -4.853 1.00 14.53 H new ATOM 0 HA ALA A 89 9.763 9.898 -2.169 1.00 41.30 H new ATOM 0 HB1 ALA A 89 11.763 11.378 -2.082 1.00 33.45 H new ATOM 0 HB2 ALA A 89 12.227 9.669 -2.251 1.00 33.45 H new ATOM 0 HB3 ALA A 89 12.290 10.751 -3.662 1.00 33.45 H new ATOM 1443 N PRO A 90 8.498 11.951 -3.059 1.00 25.33 N ATOM 1444 CA PRO A 90 7.789 13.142 -3.587 1.00 50.32 C ATOM 1445 C PRO A 90 8.669 14.419 -3.498 1.00 65.32 C ATOM 1446 O PRO A 90 8.668 15.144 -2.492 1.00 44.41 O ATOM 1447 CB PRO A 90 6.517 13.230 -2.714 1.00 11.43 C ATOM 1448 CG PRO A 90 6.912 12.598 -1.413 1.00 4.30 C ATOM 1449 CD PRO A 90 7.933 11.519 -1.752 1.00 2.52 C ATOM 0 HA PRO A 90 7.549 13.060 -4.647 1.00 50.32 H new ATOM 0 HB2 PRO A 90 6.202 14.264 -2.574 1.00 11.43 H new ATOM 0 HB3 PRO A 90 5.682 12.702 -3.175 1.00 11.43 H new ATOM 0 HG2 PRO A 90 7.339 13.338 -0.736 1.00 4.30 H new ATOM 0 HG3 PRO A 90 6.045 12.169 -0.911 1.00 4.30 H new ATOM 0 HD2 PRO A 90 8.707 11.448 -0.987 1.00 2.52 H new ATOM 0 HD3 PRO A 90 7.466 10.537 -1.825 1.00 2.52 H new ATOM 1457 N TYR A 91 9.432 14.662 -4.577 1.00 23.11 N ATOM 1458 CA TYR A 91 10.459 15.727 -4.632 1.00 65.41 C ATOM 1459 C TYR A 91 9.826 17.135 -4.723 1.00 3.11 C ATOM 1460 O TYR A 91 10.384 18.109 -4.208 1.00 33.44 O ATOM 1461 CB TYR A 91 11.443 15.472 -5.822 1.00 32.22 C ATOM 1462 CG TYR A 91 10.759 15.260 -7.189 1.00 55.43 C ATOM 1463 CD1 TYR A 91 10.295 16.339 -7.944 1.00 74.25 C ATOM 1464 CD2 TYR A 91 10.545 13.977 -7.702 1.00 12.34 C ATOM 1465 CE1 TYR A 91 9.645 16.158 -9.144 1.00 32.30 C ATOM 1466 CE2 TYR A 91 9.905 13.787 -8.913 1.00 25.43 C ATOM 1467 CZ TYR A 91 9.448 14.880 -9.630 1.00 1.32 C ATOM 1468 OH TYR A 91 8.779 14.693 -10.824 1.00 71.42 O ATOM 0 H TYR A 91 9.357 14.125 -5.441 1.00 23.11 H new ATOM 0 HA TYR A 91 11.024 15.693 -3.700 1.00 65.41 H new ATOM 0 HB2 TYR A 91 12.125 16.319 -5.900 1.00 32.22 H new ATOM 0 HB3 TYR A 91 12.048 14.595 -5.594 1.00 32.22 H new ATOM 0 HD1 TYR A 91 10.450 17.343 -7.577 1.00 74.25 H new ATOM 0 HD2 TYR A 91 10.886 13.119 -7.142 1.00 12.34 H new ATOM 0 HE1 TYR A 91 9.291 17.011 -9.703 1.00 32.30 H new ATOM 0 HE2 TYR A 91 9.762 12.788 -9.299 1.00 25.43 H new ATOM 0 HH TYR A 91 8.727 13.735 -11.023 1.00 71.42 H new ATOM 1478 N ASP A 92 8.644 17.229 -5.360 1.00 2.12 N ATOM 1479 CA ASP A 92 7.976 18.520 -5.627 1.00 52.34 C ATOM 1480 C ASP A 92 6.755 18.719 -4.706 1.00 55.23 C ATOM 1481 O ASP A 92 5.961 17.797 -4.481 1.00 24.52 O ATOM 1482 CB ASP A 92 7.561 18.627 -7.117 1.00 53.10 C ATOM 1483 CG ASP A 92 6.484 17.617 -7.548 1.00 1.02 C ATOM 1484 OD1 ASP A 92 6.771 16.403 -7.570 1.00 54.33 O ATOM 1485 OD2 ASP A 92 5.352 18.033 -7.873 1.00 3.01 O ATOM 0 H ASP A 92 8.127 16.419 -5.703 1.00 2.12 H new ATOM 0 HA ASP A 92 8.690 19.315 -5.411 1.00 52.34 H new ATOM 0 HB2 ASP A 92 7.194 19.635 -7.308 1.00 53.10 H new ATOM 0 HB3 ASP A 92 8.445 18.486 -7.739 1.00 53.10 H new ATOM 1490 N GLN A 93 6.620 19.947 -4.189 1.00 2.23 N ATOM 1491 CA GLN A 93 5.500 20.349 -3.303 1.00 14.44 C ATOM 1492 C GLN A 93 4.146 20.388 -4.043 1.00 14.12 C ATOM 1493 O GLN A 93 3.100 20.316 -3.400 1.00 25.43 O ATOM 1494 CB GLN A 93 5.779 21.710 -2.611 1.00 74.25 C ATOM 1495 CG GLN A 93 6.867 21.657 -1.515 1.00 34.54 C ATOM 1496 CD GLN A 93 6.968 22.955 -0.697 1.00 71.32 C ATOM 1497 OE1 GLN A 93 6.743 24.051 -1.204 1.00 61.14 O ATOM 1498 NE2 GLN A 93 7.295 22.840 0.575 1.00 71.12 N ATOM 0 H GLN A 93 7.284 20.700 -4.370 1.00 2.23 H new ATOM 0 HA GLN A 93 5.430 19.580 -2.534 1.00 14.44 H new ATOM 0 HB2 GLN A 93 6.078 22.434 -3.368 1.00 74.25 H new ATOM 0 HB3 GLN A 93 4.852 22.076 -2.169 1.00 74.25 H new ATOM 0 HG2 GLN A 93 6.655 20.827 -0.842 1.00 34.54 H new ATOM 0 HG3 GLN A 93 7.832 21.452 -1.980 1.00 34.54 H new ATOM 0 HE21 GLN A 93 7.477 21.919 0.973 1.00 71.12 H new ATOM 0 HE22 GLN A 93 7.366 23.672 1.161 1.00 71.12 H new ATOM 1507 N ALA A 94 4.167 20.558 -5.381 1.00 34.51 N ATOM 1508 CA ALA A 94 2.943 20.489 -6.214 1.00 5.24 C ATOM 1509 C ALA A 94 2.195 19.142 -6.032 1.00 55.43 C ATOM 1510 O ALA A 94 0.977 19.130 -5.846 1.00 4.15 O ATOM 1511 CB ALA A 94 3.293 20.732 -7.691 1.00 21.23 C ATOM 0 H ALA A 94 5.018 20.744 -5.911 1.00 34.51 H new ATOM 0 HA ALA A 94 2.266 21.275 -5.880 1.00 5.24 H new ATOM 0 HB1 ALA A 94 2.386 20.679 -8.293 1.00 21.23 H new ATOM 0 HB2 ALA A 94 3.744 21.718 -7.801 1.00 21.23 H new ATOM 0 HB3 ALA A 94 3.997 19.971 -8.028 1.00 21.23 H new ATOM 1517 N GLU A 95 2.944 18.018 -6.064 1.00 62.25 N ATOM 1518 CA GLU A 95 2.370 16.666 -5.847 1.00 42.40 C ATOM 1519 C GLU A 95 2.072 16.389 -4.344 1.00 1.32 C ATOM 1520 O GLU A 95 1.045 15.780 -4.020 1.00 32.10 O ATOM 1521 CB GLU A 95 3.293 15.555 -6.438 1.00 11.32 C ATOM 1522 CG GLU A 95 2.684 14.128 -6.370 1.00 13.32 C ATOM 1523 CD GLU A 95 3.435 13.057 -7.183 1.00 13.11 C ATOM 1524 OE1 GLU A 95 4.675 13.025 -7.152 1.00 42.12 O ATOM 1525 OE2 GLU A 95 2.778 12.205 -7.827 1.00 30.41 O ATOM 0 H GLU A 95 3.949 18.017 -6.238 1.00 62.25 H new ATOM 0 HA GLU A 95 1.419 16.641 -6.379 1.00 42.40 H new ATOM 0 HB2 GLU A 95 3.514 15.796 -7.478 1.00 11.32 H new ATOM 0 HB3 GLU A 95 4.241 15.561 -5.901 1.00 11.32 H new ATOM 0 HG2 GLU A 95 2.651 13.813 -5.327 1.00 13.32 H new ATOM 0 HG3 GLU A 95 1.653 14.173 -6.722 1.00 13.32 H new ATOM 1532 N VAL A 96 2.963 16.838 -3.431 1.00 32.10 N ATOM 1533 CA VAL A 96 2.769 16.656 -1.960 1.00 31.14 C ATOM 1534 C VAL A 96 1.450 17.326 -1.487 1.00 65.34 C ATOM 1535 O VAL A 96 0.579 16.673 -0.902 1.00 32.00 O ATOM 1536 CB VAL A 96 3.982 17.235 -1.132 1.00 44.34 C ATOM 1537 CG1 VAL A 96 3.750 17.114 0.401 1.00 65.41 C ATOM 1538 CG2 VAL A 96 5.311 16.551 -1.533 1.00 15.14 C ATOM 0 H VAL A 96 3.823 17.328 -3.678 1.00 32.10 H new ATOM 0 HA VAL A 96 2.712 15.583 -1.779 1.00 31.14 H new ATOM 0 HB VAL A 96 4.052 18.296 -1.374 1.00 44.34 H new ATOM 0 HG11 VAL A 96 4.609 17.524 0.932 1.00 65.41 H new ATOM 0 HG12 VAL A 96 2.853 17.668 0.678 1.00 65.41 H new ATOM 0 HG13 VAL A 96 3.625 16.065 0.668 1.00 65.41 H new ATOM 0 HG21 VAL A 96 6.128 16.971 -0.946 1.00 15.14 H new ATOM 0 HG22 VAL A 96 5.241 15.480 -1.343 1.00 15.14 H new ATOM 0 HG23 VAL A 96 5.502 16.720 -2.593 1.00 15.14 H new ATOM 1548 N ALA A 97 1.318 18.624 -1.795 1.00 73.11 N ATOM 1549 CA ALA A 97 0.124 19.440 -1.469 1.00 72.51 C ATOM 1550 C ALA A 97 -1.146 18.948 -2.208 1.00 22.33 C ATOM 1551 O ALA A 97 -2.256 19.119 -1.703 1.00 12.11 O ATOM 1552 CB ALA A 97 0.400 20.924 -1.758 1.00 54.14 C ATOM 0 H ALA A 97 2.043 19.150 -2.284 1.00 73.11 H new ATOM 0 HA ALA A 97 -0.075 19.322 -0.404 1.00 72.51 H new ATOM 0 HB1 ALA A 97 -0.484 21.513 -1.515 1.00 54.14 H new ATOM 0 HB2 ALA A 97 1.240 21.263 -1.151 1.00 54.14 H new ATOM 0 HB3 ALA A 97 0.641 21.050 -2.814 1.00 54.14 H new ATOM 1558 N ALA A 98 -0.977 18.360 -3.414 1.00 41.45 N ATOM 1559 CA ALA A 98 -2.095 17.727 -4.164 1.00 12.43 C ATOM 1560 C ALA A 98 -2.689 16.520 -3.392 1.00 4.25 C ATOM 1561 O ALA A 98 -3.906 16.416 -3.225 1.00 74.11 O ATOM 1562 CB ALA A 98 -1.625 17.283 -5.557 1.00 24.45 C ATOM 0 H ALA A 98 -0.078 18.309 -3.892 1.00 41.45 H new ATOM 0 HA ALA A 98 -2.881 18.474 -4.274 1.00 12.43 H new ATOM 0 HB1 ALA A 98 -2.456 16.822 -6.091 1.00 24.45 H new ATOM 0 HB2 ALA A 98 -1.271 18.150 -6.115 1.00 24.45 H new ATOM 0 HB3 ALA A 98 -0.814 16.561 -5.455 1.00 24.45 H new ATOM 1568 N HIS A 99 -1.804 15.622 -2.908 1.00 65.52 N ATOM 1569 CA HIS A 99 -2.211 14.422 -2.127 1.00 53.02 C ATOM 1570 C HIS A 99 -2.732 14.802 -0.719 1.00 2.44 C ATOM 1571 O HIS A 99 -3.598 14.115 -0.175 1.00 71.10 O ATOM 1572 CB HIS A 99 -1.036 13.406 -2.021 1.00 11.11 C ATOM 1573 CG HIS A 99 -0.751 12.649 -3.302 1.00 25.31 C ATOM 1574 ND1 HIS A 99 -0.351 13.076 -4.526 1.00 53.55 N flip ATOM 1575 CD2 HIS A 99 -0.849 11.274 -3.402 1.00 31.34 C flip ATOM 1576 CE1 HIS A 99 -0.221 11.966 -5.326 1.00 31.33 C flip ATOM 1577 NE2 HIS A 99 -0.526 10.897 -4.623 1.00 41.01 N flip ATOM 0 H HIS A 99 -0.796 15.702 -3.043 1.00 65.52 H new ATOM 0 HA HIS A 99 -3.032 13.948 -2.664 1.00 53.02 H new ATOM 0 HB2 HIS A 99 -0.135 13.940 -1.720 1.00 11.11 H new ATOM 0 HB3 HIS A 99 -1.261 12.689 -1.231 1.00 11.11 H new ATOM 0 HD1 HIS A 99 -0.179 14.043 -4.802 1.00 53.55 H new ATOM 0 HD2 HIS A 99 -1.145 10.611 -2.603 1.00 31.34 H new ATOM 0 HE1 HIS A 99 0.082 11.971 -6.363 1.00 31.33 H new ATOM 1586 N ALA A 100 -2.183 15.886 -0.138 1.00 11.51 N ATOM 1587 CA ALA A 100 -2.669 16.447 1.144 1.00 1.55 C ATOM 1588 C ALA A 100 -4.090 17.039 1.008 1.00 24.25 C ATOM 1589 O ALA A 100 -4.961 16.780 1.840 1.00 14.43 O ATOM 1590 CB ALA A 100 -1.688 17.502 1.675 1.00 42.40 C ATOM 0 H ALA A 100 -1.396 16.397 -0.538 1.00 11.51 H new ATOM 0 HA ALA A 100 -2.725 15.629 1.862 1.00 1.55 H new ATOM 0 HB1 ALA A 100 -2.061 17.904 2.617 1.00 42.40 H new ATOM 0 HB2 ALA A 100 -0.713 17.043 1.837 1.00 42.40 H new ATOM 0 HB3 ALA A 100 -1.593 18.309 0.949 1.00 42.40 H new ATOM 1596 N ALA A 101 -4.314 17.817 -0.065 1.00 60.22 N ATOM 1597 CA ALA A 101 -5.635 18.424 -0.372 1.00 22.00 C ATOM 1598 C ALA A 101 -6.701 17.338 -0.640 1.00 1.43 C ATOM 1599 O ALA A 101 -7.856 17.459 -0.210 1.00 0.03 O ATOM 1600 CB ALA A 101 -5.514 19.373 -1.574 1.00 12.13 C ATOM 0 H ALA A 101 -3.591 18.047 -0.747 1.00 60.22 H new ATOM 0 HA ALA A 101 -5.958 18.997 0.497 1.00 22.00 H new ATOM 0 HB1 ALA A 101 -6.488 19.812 -1.790 1.00 12.13 H new ATOM 0 HB2 ALA A 101 -4.802 20.165 -1.342 1.00 12.13 H new ATOM 0 HB3 ALA A 101 -5.166 18.816 -2.444 1.00 12.13 H new ATOM 1606 N THR A 102 -6.282 16.275 -1.357 1.00 61.43 N ATOM 1607 CA THR A 102 -7.126 15.089 -1.621 1.00 34.12 C ATOM 1608 C THR A 102 -7.439 14.326 -0.309 1.00 12.30 C ATOM 1609 O THR A 102 -8.560 13.884 -0.115 1.00 34.13 O ATOM 1610 CB THR A 102 -6.470 14.126 -2.679 1.00 4.52 C ATOM 1611 OG1 THR A 102 -6.286 14.828 -3.923 1.00 64.40 O ATOM 1612 CG2 THR A 102 -7.311 12.862 -2.953 1.00 14.25 C ATOM 0 H THR A 102 -5.351 16.214 -1.769 1.00 61.43 H new ATOM 0 HA THR A 102 -8.064 15.450 -2.042 1.00 34.12 H new ATOM 0 HB THR A 102 -5.517 13.806 -2.257 1.00 4.52 H new ATOM 0 HG1 THR A 102 -5.508 15.420 -3.853 1.00 64.40 H new ATOM 0 HG21 THR A 102 -6.804 12.240 -3.691 1.00 14.25 H new ATOM 0 HG22 THR A 102 -7.434 12.299 -2.028 1.00 14.25 H new ATOM 0 HG23 THR A 102 -8.290 13.152 -3.334 1.00 14.25 H new ATOM 1620 N TYR A 103 -6.447 14.199 0.598 1.00 61.31 N ATOM 1621 CA TYR A 103 -6.654 13.600 1.947 1.00 44.02 C ATOM 1622 C TYR A 103 -7.732 14.370 2.760 1.00 51.31 C ATOM 1623 O TYR A 103 -8.687 13.776 3.256 1.00 62.13 O ATOM 1624 CB TYR A 103 -5.308 13.542 2.734 1.00 12.52 C ATOM 1625 CG TYR A 103 -5.462 13.231 4.246 1.00 3.14 C ATOM 1626 CD1 TYR A 103 -5.711 11.937 4.699 1.00 62.23 C ATOM 1627 CD2 TYR A 103 -5.397 14.252 5.207 1.00 53.13 C ATOM 1628 CE1 TYR A 103 -5.893 11.674 6.044 1.00 63.41 C ATOM 1629 CE2 TYR A 103 -5.571 13.987 6.548 1.00 51.32 C ATOM 1630 CZ TYR A 103 -5.823 12.698 6.962 1.00 33.54 C ATOM 1631 OH TYR A 103 -6.029 12.434 8.300 1.00 64.33 O ATOM 0 H TYR A 103 -5.489 14.503 0.425 1.00 61.31 H new ATOM 0 HA TYR A 103 -7.018 12.583 1.802 1.00 44.02 H new ATOM 0 HB2 TYR A 103 -4.670 12.782 2.283 1.00 12.52 H new ATOM 0 HB3 TYR A 103 -4.795 14.497 2.622 1.00 12.52 H new ATOM 0 HD1 TYR A 103 -5.763 11.126 3.988 1.00 62.23 H new ATOM 0 HD2 TYR A 103 -5.207 15.266 4.889 1.00 53.13 H new ATOM 0 HE1 TYR A 103 -6.090 10.665 6.375 1.00 63.41 H new ATOM 0 HE2 TYR A 103 -5.510 14.787 7.271 1.00 51.32 H new ATOM 0 HH TYR A 103 -5.185 12.156 8.712 1.00 64.33 H new ATOM 1641 N HIS A 104 -7.558 15.693 2.897 1.00 64.15 N ATOM 1642 CA HIS A 104 -8.440 16.530 3.745 1.00 51.34 C ATOM 1643 C HIS A 104 -9.894 16.628 3.190 1.00 61.44 C ATOM 1644 O HIS A 104 -10.852 16.723 3.966 1.00 14.05 O ATOM 1645 CB HIS A 104 -7.810 17.938 3.949 1.00 50.43 C ATOM 1646 CG HIS A 104 -6.605 17.944 4.871 1.00 34.43 C ATOM 1647 ND1 HIS A 104 -6.715 17.875 6.245 1.00 4.24 N ATOM 1648 CD2 HIS A 104 -5.271 18.012 4.617 1.00 13.11 C ATOM 1649 CE1 HIS A 104 -5.516 17.900 6.790 1.00 65.11 C ATOM 1650 NE2 HIS A 104 -4.623 17.981 5.827 1.00 43.52 N ATOM 0 H HIS A 104 -6.814 16.214 2.433 1.00 64.15 H new ATOM 0 HA HIS A 104 -8.522 16.039 4.715 1.00 51.34 H new ATOM 0 HB2 HIS A 104 -7.515 18.337 2.979 1.00 50.43 H new ATOM 0 HB3 HIS A 104 -8.568 18.609 4.353 1.00 50.43 H new ATOM 0 HD2 HIS A 104 -4.807 18.078 3.644 1.00 13.11 H new ATOM 0 HE1 HIS A 104 -5.302 17.861 7.848 1.00 65.11 H new ATOM 0 HE2 HIS A 104 -3.612 18.015 5.958 1.00 43.52 H new ATOM 1659 N SER A 105 -10.045 16.601 1.852 1.00 24.21 N ATOM 1660 CA SER A 105 -11.376 16.683 1.188 1.00 4.44 C ATOM 1661 C SER A 105 -12.076 15.295 1.020 1.00 31.51 C ATOM 1662 O SER A 105 -13.301 15.193 1.136 1.00 45.41 O ATOM 1663 CB SER A 105 -11.210 17.361 -0.191 1.00 5.43 C ATOM 1664 OG SER A 105 -12.450 17.533 -0.862 1.00 61.13 O ATOM 0 H SER A 105 -9.264 16.523 1.201 1.00 24.21 H new ATOM 0 HA SER A 105 -12.024 17.273 1.836 1.00 4.44 H new ATOM 0 HB2 SER A 105 -10.733 18.332 -0.060 1.00 5.43 H new ATOM 0 HB3 SER A 105 -10.545 16.760 -0.811 1.00 5.43 H new ATOM 0 HG SER A 105 -12.296 17.966 -1.728 1.00 61.13 H new ATOM 1670 N HIS A 106 -11.289 14.229 0.737 1.00 13.42 N ATOM 1671 CA HIS A 106 -11.832 12.866 0.399 1.00 4.35 C ATOM 1672 C HIS A 106 -11.679 11.827 1.556 1.00 35.31 C ATOM 1673 O HIS A 106 -12.171 10.700 1.434 1.00 61.53 O ATOM 1674 CB HIS A 106 -11.146 12.315 -0.896 1.00 21.43 C ATOM 1675 CG HIS A 106 -11.294 13.166 -2.141 1.00 52.20 C ATOM 1676 ND1 HIS A 106 -11.900 12.722 -3.299 1.00 73.52 N ATOM 1677 CD2 HIS A 106 -10.856 14.421 -2.424 1.00 63.24 C ATOM 1678 CE1 HIS A 106 -11.827 13.654 -4.226 1.00 30.01 C ATOM 1679 NE2 HIS A 106 -11.200 14.691 -3.723 1.00 1.33 N ATOM 0 H HIS A 106 -10.270 14.275 0.733 1.00 13.42 H new ATOM 0 HA HIS A 106 -12.901 12.999 0.235 1.00 4.35 H new ATOM 0 HB2 HIS A 106 -10.083 12.186 -0.693 1.00 21.43 H new ATOM 0 HB3 HIS A 106 -11.553 11.326 -1.106 1.00 21.43 H new ATOM 0 HD2 HIS A 106 -10.333 15.083 -1.750 1.00 63.24 H new ATOM 0 HE1 HIS A 106 -12.217 13.578 -5.230 1.00 30.01 H new ATOM 0 HE2 HIS A 106 -11.000 15.559 -4.219 1.00 1.33 H new ATOM 1688 N GLY A 107 -10.988 12.194 2.655 1.00 22.50 N ATOM 1689 CA GLY A 107 -10.845 11.313 3.853 1.00 3.02 C ATOM 1690 C GLY A 107 -9.477 10.606 3.975 1.00 54.12 C ATOM 1691 O GLY A 107 -8.564 10.873 3.193 1.00 32.24 O ATOM 0 H GLY A 107 -10.517 13.094 2.746 1.00 22.50 H new ATOM 0 HA2 GLY A 107 -11.011 11.911 4.749 1.00 3.02 H new ATOM 0 HA3 GLY A 107 -11.629 10.556 3.826 1.00 3.02 H new ATOM 1695 N TYR A 108 -9.332 9.704 4.982 1.00 51.21 N ATOM 1696 CA TYR A 108 -8.065 8.946 5.214 1.00 45.14 C ATOM 1697 C TYR A 108 -7.835 7.877 4.116 1.00 51.31 C ATOM 1698 O TYR A 108 -6.696 7.539 3.788 1.00 31.01 O ATOM 1699 CB TYR A 108 -8.030 8.299 6.643 1.00 15.14 C ATOM 1700 CG TYR A 108 -8.721 6.921 6.768 1.00 75.21 C ATOM 1701 CD1 TYR A 108 -10.092 6.804 7.013 1.00 72.13 C ATOM 1702 CD2 TYR A 108 -7.987 5.733 6.621 1.00 20.40 C ATOM 1703 CE1 TYR A 108 -10.696 5.561 7.095 1.00 45.03 C ATOM 1704 CE2 TYR A 108 -8.587 4.499 6.704 1.00 64.21 C ATOM 1705 CZ TYR A 108 -9.941 4.415 6.940 1.00 62.31 C ATOM 1706 OH TYR A 108 -10.549 3.182 7.009 1.00 21.51 O ATOM 0 H TYR A 108 -10.073 9.482 5.647 1.00 51.21 H new ATOM 0 HA TYR A 108 -7.247 9.665 5.157 1.00 45.14 H new ATOM 0 HB2 TYR A 108 -6.989 8.193 6.949 1.00 15.14 H new ATOM 0 HB3 TYR A 108 -8.501 8.987 7.346 1.00 15.14 H new ATOM 0 HD1 TYR A 108 -10.688 7.695 7.140 1.00 72.13 H new ATOM 0 HD2 TYR A 108 -6.924 5.790 6.438 1.00 20.40 H new ATOM 0 HE1 TYR A 108 -11.757 5.487 7.280 1.00 45.03 H new ATOM 0 HE2 TYR A 108 -8.000 3.600 6.585 1.00 64.21 H new ATOM 0 HH TYR A 108 -9.879 2.479 6.878 1.00 21.51 H new ATOM 1716 N ASP A 109 -8.943 7.294 3.611 1.00 24.03 N ATOM 1717 CA ASP A 109 -8.909 6.363 2.460 1.00 10.43 C ATOM 1718 C ASP A 109 -8.253 7.002 1.209 1.00 4.03 C ATOM 1719 O ASP A 109 -7.625 6.302 0.430 1.00 64.43 O ATOM 1720 CB ASP A 109 -10.338 5.867 2.109 1.00 30.55 C ATOM 1721 CG ASP A 109 -10.968 5.007 3.214 1.00 13.15 C ATOM 1722 OD1 ASP A 109 -10.597 3.821 3.340 1.00 73.35 O ATOM 1723 OD2 ASP A 109 -11.841 5.504 3.954 1.00 64.01 O ATOM 0 H ASP A 109 -9.879 7.453 3.985 1.00 24.03 H new ATOM 0 HA ASP A 109 -8.296 5.513 2.761 1.00 10.43 H new ATOM 0 HB2 ASP A 109 -10.978 6.728 1.919 1.00 30.55 H new ATOM 0 HB3 ASP A 109 -10.298 5.289 1.186 1.00 30.55 H new ATOM 1728 N ALA A 110 -8.379 8.338 1.079 1.00 71.15 N ATOM 1729 CA ALA A 110 -7.954 9.114 -0.114 1.00 13.33 C ATOM 1730 C ALA A 110 -6.479 8.912 -0.520 1.00 61.51 C ATOM 1731 O ALA A 110 -6.198 8.641 -1.695 1.00 15.21 O ATOM 1732 CB ALA A 110 -8.204 10.604 0.126 1.00 40.13 C ATOM 0 H ALA A 110 -8.785 8.922 1.810 1.00 71.15 H new ATOM 0 HA ALA A 110 -8.554 8.734 -0.941 1.00 13.33 H new ATOM 0 HB1 ALA A 110 -7.891 11.171 -0.751 1.00 40.13 H new ATOM 0 HB2 ALA A 110 -9.266 10.770 0.306 1.00 40.13 H new ATOM 0 HB3 ALA A 110 -7.633 10.934 0.994 1.00 40.13 H new ATOM 1738 N ASP A 111 -5.546 9.056 0.441 1.00 71.14 N ATOM 1739 CA ASP A 111 -4.096 8.977 0.146 1.00 32.25 C ATOM 1740 C ASP A 111 -3.681 7.559 -0.358 1.00 11.13 C ATOM 1741 O ASP A 111 -2.773 7.428 -1.191 1.00 62.10 O ATOM 1742 CB ASP A 111 -3.239 9.447 1.360 1.00 24.24 C ATOM 1743 CG ASP A 111 -3.553 8.718 2.678 1.00 53.32 C ATOM 1744 OD1 ASP A 111 -4.424 9.189 3.432 1.00 63.11 O ATOM 1745 OD2 ASP A 111 -2.927 7.682 2.971 1.00 23.11 O ATOM 0 H ASP A 111 -5.765 9.227 1.423 1.00 71.14 H new ATOM 0 HA ASP A 111 -3.893 9.668 -0.672 1.00 32.25 H new ATOM 0 HB2 ASP A 111 -2.185 9.305 1.122 1.00 24.24 H new ATOM 0 HB3 ASP A 111 -3.392 10.517 1.505 1.00 24.24 H new ATOM 1750 N ILE A 112 -4.375 6.515 0.137 1.00 42.11 N ATOM 1751 CA ILE A 112 -4.162 5.109 -0.306 1.00 43.20 C ATOM 1752 C ILE A 112 -4.868 4.827 -1.660 1.00 40.34 C ATOM 1753 O ILE A 112 -4.306 4.167 -2.536 1.00 64.14 O ATOM 1754 CB ILE A 112 -4.681 4.090 0.770 1.00 51.02 C ATOM 1755 CG1 ILE A 112 -4.076 4.402 2.176 1.00 75.14 C ATOM 1756 CG2 ILE A 112 -4.420 2.615 0.357 1.00 1.31 C ATOM 1757 CD1 ILE A 112 -2.564 4.450 2.257 1.00 4.02 C ATOM 0 H ILE A 112 -5.096 6.614 0.851 1.00 42.11 H new ATOM 0 HA ILE A 112 -3.088 4.978 -0.434 1.00 43.20 H new ATOM 0 HB ILE A 112 -5.762 4.213 0.832 1.00 51.02 H new ATOM 0 HG12 ILE A 112 -4.468 5.362 2.512 1.00 75.14 H new ATOM 0 HG13 ILE A 112 -4.433 3.648 2.878 1.00 75.14 H new ATOM 0 HG21 ILE A 112 -4.796 1.948 1.133 1.00 1.31 H new ATOM 0 HG22 ILE A 112 -4.931 2.404 -0.582 1.00 1.31 H new ATOM 0 HG23 ILE A 112 -3.349 2.457 0.231 1.00 1.31 H new ATOM 0 HD11 ILE A 112 -2.261 4.674 3.280 1.00 4.02 H new ATOM 0 HD12 ILE A 112 -2.153 3.485 1.960 1.00 4.02 H new ATOM 0 HD13 ILE A 112 -2.188 5.225 1.589 1.00 4.02 H new ATOM 1769 N ASN A 113 -6.107 5.338 -1.820 1.00 40.14 N ATOM 1770 CA ASN A 113 -6.913 5.168 -3.059 1.00 53.53 C ATOM 1771 C ASN A 113 -6.242 5.864 -4.254 1.00 31.14 C ATOM 1772 O ASN A 113 -6.375 5.418 -5.386 1.00 73.23 O ATOM 1773 CB ASN A 113 -8.357 5.708 -2.881 1.00 41.32 C ATOM 1774 CG ASN A 113 -9.192 4.910 -1.878 1.00 33.24 C ATOM 1775 OD1 ASN A 113 -8.982 3.718 -1.676 1.00 34.03 O ATOM 1776 ND2 ASN A 113 -10.161 5.557 -1.262 1.00 70.32 N ATOM 0 H ASN A 113 -6.581 5.880 -1.098 1.00 40.14 H new ATOM 0 HA ASN A 113 -6.969 4.098 -3.258 1.00 53.53 H new ATOM 0 HB2 ASN A 113 -8.309 6.747 -2.555 1.00 41.32 H new ATOM 0 HB3 ASN A 113 -8.860 5.700 -3.848 1.00 41.32 H new ATOM 0 HD21 ASN A 113 -10.760 5.067 -0.597 1.00 70.32 H new ATOM 0 HD22 ASN A 113 -10.312 6.548 -1.450 1.00 70.32 H new ATOM 1783 N SER A 114 -5.523 6.962 -3.975 1.00 14.42 N ATOM 1784 CA SER A 114 -4.708 7.680 -4.982 1.00 41.15 C ATOM 1785 C SER A 114 -3.632 6.750 -5.595 1.00 12.05 C ATOM 1786 O SER A 114 -3.329 6.838 -6.783 1.00 34.30 O ATOM 1787 CB SER A 114 -4.051 8.922 -4.336 1.00 31.23 C ATOM 1788 OG SER A 114 -3.296 9.673 -5.272 1.00 41.13 O ATOM 0 H SER A 114 -5.487 7.382 -3.046 1.00 14.42 H new ATOM 0 HA SER A 114 -5.364 8.005 -5.790 1.00 41.15 H new ATOM 0 HB2 SER A 114 -4.824 9.556 -3.902 1.00 31.23 H new ATOM 0 HB3 SER A 114 -3.403 8.605 -3.519 1.00 31.23 H new ATOM 0 HG SER A 114 -2.406 9.854 -4.904 1.00 41.13 H new ATOM 1794 N TYR A 115 -3.078 5.859 -4.754 1.00 54.45 N ATOM 1795 CA TYR A 115 -2.098 4.835 -5.166 1.00 4.24 C ATOM 1796 C TYR A 115 -2.774 3.596 -5.852 1.00 4.44 C ATOM 1797 O TYR A 115 -2.286 3.123 -6.886 1.00 33.51 O ATOM 1798 CB TYR A 115 -1.276 4.420 -3.894 1.00 1.25 C ATOM 1799 CG TYR A 115 -0.767 2.970 -3.896 1.00 25.24 C ATOM 1800 CD1 TYR A 115 0.229 2.561 -4.775 1.00 20.12 C ATOM 1801 CD2 TYR A 115 -1.310 2.010 -3.036 1.00 42.22 C ATOM 1802 CE1 TYR A 115 0.660 1.262 -4.804 1.00 71.25 C ATOM 1803 CE2 TYR A 115 -0.871 0.710 -3.064 1.00 20.24 C ATOM 1804 CZ TYR A 115 0.114 0.342 -3.947 1.00 53.23 C ATOM 1805 OH TYR A 115 0.556 -0.953 -3.978 1.00 3.01 O ATOM 0 H TYR A 115 -3.299 5.828 -3.759 1.00 54.45 H new ATOM 0 HA TYR A 115 -1.435 5.253 -5.923 1.00 4.24 H new ATOM 0 HB2 TYR A 115 -0.421 5.089 -3.798 1.00 1.25 H new ATOM 0 HB3 TYR A 115 -1.899 4.570 -3.012 1.00 1.25 H new ATOM 0 HD1 TYR A 115 0.671 3.281 -5.447 1.00 20.12 H new ATOM 0 HD2 TYR A 115 -2.085 2.296 -2.340 1.00 42.22 H new ATOM 0 HE1 TYR A 115 1.429 0.963 -5.501 1.00 71.25 H new ATOM 0 HE2 TYR A 115 -1.299 -0.021 -2.394 1.00 20.24 H new ATOM 0 HH TYR A 115 0.362 -1.344 -4.856 1.00 3.01 H new ATOM 1815 N ILE A 116 -3.898 3.097 -5.285 1.00 73.23 N ATOM 1816 CA ILE A 116 -4.581 1.853 -5.771 1.00 23.25 C ATOM 1817 C ILE A 116 -5.195 2.078 -7.176 1.00 3.54 C ATOM 1818 O ILE A 116 -5.180 1.193 -8.035 1.00 43.52 O ATOM 1819 CB ILE A 116 -5.696 1.374 -4.744 1.00 71.20 C ATOM 1820 CG1 ILE A 116 -5.068 0.986 -3.364 1.00 33.32 C ATOM 1821 CG2 ILE A 116 -6.541 0.193 -5.299 1.00 41.11 C ATOM 1822 CD1 ILE A 116 -4.201 -0.275 -3.385 1.00 43.22 C ATOM 0 H ILE A 116 -4.360 3.532 -4.487 1.00 73.23 H new ATOM 0 HA ILE A 116 -3.830 1.066 -5.845 1.00 23.25 H new ATOM 0 HB ILE A 116 -6.366 2.221 -4.599 1.00 71.20 H new ATOM 0 HG12 ILE A 116 -4.463 1.820 -3.009 1.00 33.32 H new ATOM 0 HG13 ILE A 116 -5.872 0.845 -2.642 1.00 33.32 H new ATOM 0 HG21 ILE A 116 -7.289 -0.098 -4.561 1.00 41.11 H new ATOM 0 HG22 ILE A 116 -7.039 0.502 -6.218 1.00 41.11 H new ATOM 0 HG23 ILE A 116 -5.888 -0.655 -5.508 1.00 41.11 H new ATOM 0 HD11 ILE A 116 -3.810 -0.464 -2.385 1.00 43.22 H new ATOM 0 HD12 ILE A 116 -4.803 -1.125 -3.706 1.00 43.22 H new ATOM 0 HD13 ILE A 116 -3.372 -0.135 -4.079 1.00 43.22 H new ATOM 1834 N ASP A 117 -5.705 3.295 -7.383 1.00 13.43 N ATOM 1835 CA ASP A 117 -6.356 3.722 -8.637 1.00 72.31 C ATOM 1836 C ASP A 117 -5.316 4.138 -9.724 1.00 61.50 C ATOM 1837 O ASP A 117 -5.643 4.173 -10.917 1.00 54.42 O ATOM 1838 CB ASP A 117 -7.302 4.909 -8.290 1.00 53.32 C ATOM 1839 CG ASP A 117 -8.236 5.344 -9.431 1.00 33.55 C ATOM 1840 OD1 ASP A 117 -9.299 4.708 -9.609 1.00 64.23 O ATOM 1841 OD2 ASP A 117 -7.933 6.342 -10.128 1.00 61.03 O ATOM 0 H ASP A 117 -5.680 4.029 -6.675 1.00 13.43 H new ATOM 0 HA ASP A 117 -6.918 2.890 -9.060 1.00 72.31 H new ATOM 0 HB2 ASP A 117 -7.909 4.631 -7.428 1.00 53.32 H new ATOM 0 HB3 ASP A 117 -6.695 5.763 -7.990 1.00 53.32 H new ATOM 1846 N SER A 118 -4.052 4.414 -9.315 1.00 42.33 N ATOM 1847 CA SER A 118 -3.043 5.086 -10.180 1.00 75.52 C ATOM 1848 C SER A 118 -2.494 4.179 -11.304 1.00 42.34 C ATOM 1849 O SER A 118 -2.246 2.980 -11.105 1.00 51.24 O ATOM 1850 CB SER A 118 -1.855 5.611 -9.336 1.00 23.31 C ATOM 1851 OG SER A 118 -0.961 6.388 -10.124 1.00 5.11 O ATOM 0 H SER A 118 -3.703 4.180 -8.385 1.00 42.33 H new ATOM 0 HA SER A 118 -3.570 5.915 -10.652 1.00 75.52 H new ATOM 0 HB2 SER A 118 -2.232 6.214 -8.510 1.00 23.31 H new ATOM 0 HB3 SER A 118 -1.318 4.770 -8.898 1.00 23.31 H new ATOM 0 HG SER A 118 -0.536 7.068 -9.561 1.00 5.11 H new ATOM 1857 N ALA A 119 -2.300 4.798 -12.483 1.00 21.35 N ATOM 1858 CA ALA A 119 -1.707 4.162 -13.678 1.00 73.54 C ATOM 1859 C ALA A 119 -0.263 3.644 -13.440 1.00 43.04 C ATOM 1860 O ALA A 119 0.112 2.601 -13.978 1.00 13.20 O ATOM 1861 CB ALA A 119 -1.738 5.155 -14.852 1.00 72.13 C ATOM 0 H ALA A 119 -2.555 5.773 -12.637 1.00 21.35 H new ATOM 0 HA ALA A 119 -2.309 3.284 -13.913 1.00 73.54 H new ATOM 0 HB1 ALA A 119 -1.301 4.688 -15.735 1.00 72.13 H new ATOM 0 HB2 ALA A 119 -2.770 5.437 -15.063 1.00 72.13 H new ATOM 0 HB3 ALA A 119 -1.165 6.045 -14.591 1.00 72.13 H new ATOM 1867 N GLU A 120 0.532 4.369 -12.620 1.00 64.14 N ATOM 1868 CA GLU A 120 1.937 3.975 -12.309 1.00 32.42 C ATOM 1869 C GLU A 120 2.004 2.631 -11.536 1.00 23.22 C ATOM 1870 O GLU A 120 2.936 1.849 -11.717 1.00 11.10 O ATOM 1871 CB GLU A 120 2.670 5.087 -11.515 1.00 40.44 C ATOM 1872 CG GLU A 120 2.109 5.366 -10.104 1.00 54.52 C ATOM 1873 CD GLU A 120 2.842 6.500 -9.368 1.00 74.50 C ATOM 1874 OE1 GLU A 120 4.039 6.332 -9.055 1.00 73.23 O ATOM 1875 OE2 GLU A 120 2.224 7.556 -9.085 1.00 22.41 O ATOM 0 H GLU A 120 0.231 5.228 -12.160 1.00 64.14 H new ATOM 0 HA GLU A 120 2.444 3.838 -13.264 1.00 32.42 H new ATOM 0 HB2 GLU A 120 3.721 4.813 -11.423 1.00 40.44 H new ATOM 0 HB3 GLU A 120 2.631 6.010 -12.093 1.00 40.44 H new ATOM 0 HG2 GLU A 120 1.052 5.619 -10.185 1.00 54.52 H new ATOM 0 HG3 GLU A 120 2.174 4.455 -9.509 1.00 54.52 H new ATOM 1882 N TYR A 121 0.996 2.378 -10.683 1.00 0.15 N ATOM 1883 CA TYR A 121 0.874 1.107 -9.939 1.00 1.33 C ATOM 1884 C TYR A 121 0.388 -0.029 -10.875 1.00 33.13 C ATOM 1885 O TYR A 121 0.971 -1.110 -10.901 1.00 31.41 O ATOM 1886 CB TYR A 121 -0.083 1.285 -8.724 1.00 63.11 C ATOM 1887 CG TYR A 121 -0.407 -0.012 -7.945 1.00 2.33 C ATOM 1888 CD1 TYR A 121 0.599 -0.922 -7.593 1.00 5.34 C ATOM 1889 CD2 TYR A 121 -1.715 -0.324 -7.563 1.00 33.31 C ATOM 1890 CE1 TYR A 121 0.315 -2.084 -6.904 1.00 73.15 C ATOM 1891 CE2 TYR A 121 -2.001 -1.488 -6.868 1.00 74.15 C ATOM 1892 CZ TYR A 121 -0.983 -2.362 -6.544 1.00 65.05 C ATOM 1893 OH TYR A 121 -1.264 -3.519 -5.851 1.00 45.50 O ATOM 0 H TYR A 121 0.247 3.042 -10.489 1.00 0.15 H new ATOM 0 HA TYR A 121 1.856 0.826 -9.559 1.00 1.33 H new ATOM 0 HB2 TYR A 121 0.361 2.003 -8.034 1.00 63.11 H new ATOM 0 HB3 TYR A 121 -1.017 1.720 -9.079 1.00 63.11 H new ATOM 0 HD1 TYR A 121 1.622 -0.709 -7.868 1.00 5.34 H new ATOM 0 HD2 TYR A 121 -2.517 0.354 -7.814 1.00 33.31 H new ATOM 0 HE1 TYR A 121 1.108 -2.771 -6.649 1.00 73.15 H new ATOM 0 HE2 TYR A 121 -3.018 -1.711 -6.581 1.00 74.15 H new ATOM 0 HH TYR A 121 -0.492 -3.766 -5.300 1.00 45.50 H new ATOM 1903 N THR A 122 -0.676 0.240 -11.649 1.00 44.51 N ATOM 1904 CA THR A 122 -1.320 -0.773 -12.527 1.00 52.13 C ATOM 1905 C THR A 122 -0.396 -1.240 -13.686 1.00 24.21 C ATOM 1906 O THR A 122 -0.373 -2.423 -14.034 1.00 62.25 O ATOM 1907 CB THR A 122 -2.673 -0.229 -13.105 1.00 14.52 C ATOM 1908 OG1 THR A 122 -3.495 0.243 -12.023 1.00 51.12 O ATOM 1909 CG2 THR A 122 -3.457 -1.308 -13.880 1.00 63.22 C ATOM 0 H THR A 122 -1.118 1.158 -11.690 1.00 44.51 H new ATOM 0 HA THR A 122 -1.517 -1.643 -11.901 1.00 52.13 H new ATOM 0 HB THR A 122 -2.430 0.576 -13.798 1.00 14.52 H new ATOM 0 HG1 THR A 122 -3.128 1.082 -11.675 1.00 51.12 H new ATOM 0 HG21 THR A 122 -4.385 -0.881 -14.260 1.00 63.22 H new ATOM 0 HG22 THR A 122 -2.855 -1.666 -14.715 1.00 63.22 H new ATOM 0 HG23 THR A 122 -3.686 -2.140 -13.214 1.00 63.22 H new ATOM 1917 N GLU A 123 0.371 -0.309 -14.264 1.00 60.03 N ATOM 1918 CA GLU A 123 1.250 -0.596 -15.427 1.00 53.12 C ATOM 1919 C GLU A 123 2.653 -1.118 -15.005 1.00 54.44 C ATOM 1920 O GLU A 123 3.176 -2.043 -15.636 1.00 54.22 O ATOM 1921 CB GLU A 123 1.347 0.659 -16.342 1.00 20.11 C ATOM 1922 CG GLU A 123 -0.001 1.058 -16.997 1.00 30.34 C ATOM 1923 CD GLU A 123 0.079 2.330 -17.863 1.00 51.24 C ATOM 1924 OE1 GLU A 123 0.534 2.244 -19.025 1.00 45.05 O ATOM 1925 OE2 GLU A 123 -0.308 3.421 -17.397 1.00 44.55 O ATOM 0 H GLU A 123 0.408 0.661 -13.950 1.00 60.03 H new ATOM 0 HA GLU A 123 0.795 -1.407 -15.996 1.00 53.12 H new ATOM 0 HB2 GLU A 123 1.718 1.499 -15.754 1.00 20.11 H new ATOM 0 HB3 GLU A 123 2.080 0.470 -17.126 1.00 20.11 H new ATOM 0 HG2 GLU A 123 -0.353 0.231 -17.614 1.00 30.34 H new ATOM 0 HG3 GLU A 123 -0.744 1.209 -16.214 1.00 30.34 H new ATOM 1932 N SER A 124 3.272 -0.538 -13.951 1.00 61.02 N ATOM 1933 CA SER A 124 4.629 -0.975 -13.488 1.00 75.35 C ATOM 1934 C SER A 124 4.583 -2.180 -12.507 1.00 63.44 C ATOM 1935 O SER A 124 5.466 -3.045 -12.549 1.00 5.41 O ATOM 1936 CB SER A 124 5.383 0.201 -12.817 1.00 61.30 C ATOM 1937 OG SER A 124 6.711 -0.147 -12.425 1.00 35.34 O ATOM 0 H SER A 124 2.869 0.224 -13.405 1.00 61.02 H new ATOM 0 HA SER A 124 5.160 -1.301 -14.382 1.00 75.35 H new ATOM 0 HB2 SER A 124 5.422 1.043 -13.508 1.00 61.30 H new ATOM 0 HB3 SER A 124 4.825 0.532 -11.941 1.00 61.30 H new ATOM 0 HG SER A 124 7.143 0.628 -12.009 1.00 35.34 H new ATOM 1943 N PHE A 125 3.568 -2.229 -11.613 1.00 31.33 N ATOM 1944 CA PHE A 125 3.465 -3.293 -10.560 1.00 24.24 C ATOM 1945 C PHE A 125 2.250 -4.243 -10.760 1.00 33.13 C ATOM 1946 O PHE A 125 2.175 -5.267 -10.095 1.00 62.31 O ATOM 1947 CB PHE A 125 3.362 -2.650 -9.149 1.00 22.53 C ATOM 1948 CG PHE A 125 4.482 -1.675 -8.783 1.00 62.54 C ATOM 1949 CD1 PHE A 125 5.805 -2.106 -8.705 1.00 10.33 C ATOM 1950 CD2 PHE A 125 4.207 -0.336 -8.487 1.00 12.44 C ATOM 1951 CE1 PHE A 125 6.813 -1.231 -8.345 1.00 73.31 C ATOM 1952 CE2 PHE A 125 5.217 0.534 -8.133 1.00 64.40 C ATOM 1953 CZ PHE A 125 6.520 0.083 -8.061 1.00 53.53 C ATOM 0 H PHE A 125 2.806 -1.551 -11.591 1.00 31.33 H new ATOM 0 HA PHE A 125 4.373 -3.890 -10.650 1.00 24.24 H new ATOM 0 HB2 PHE A 125 2.410 -2.125 -9.078 1.00 22.53 H new ATOM 0 HB3 PHE A 125 3.342 -3.448 -8.407 1.00 22.53 H new ATOM 0 HD1 PHE A 125 6.045 -3.135 -8.928 1.00 10.33 H new ATOM 0 HD2 PHE A 125 3.189 0.022 -8.536 1.00 12.44 H new ATOM 0 HE1 PHE A 125 7.833 -1.580 -8.287 1.00 73.31 H new ATOM 0 HE2 PHE A 125 4.989 1.566 -7.912 1.00 64.40 H new ATOM 0 HZ PHE A 125 7.311 0.763 -7.781 1.00 53.53 H new ATOM 1963 N GLY A 126 1.293 -3.883 -11.636 1.00 4.23 N ATOM 1964 CA GLY A 126 0.089 -4.718 -11.880 1.00 12.42 C ATOM 1965 C GLY A 126 -0.817 -4.955 -10.647 1.00 3.21 C ATOM 1966 O GLY A 126 -0.693 -4.282 -9.620 1.00 12.20 O ATOM 0 H GLY A 126 1.324 -3.025 -12.187 1.00 4.23 H new ATOM 0 HA2 GLY A 126 -0.507 -4.247 -12.662 1.00 12.42 H new ATOM 0 HA3 GLY A 126 0.411 -5.686 -12.264 1.00 12.42 H new ATOM 1970 N ASP A 127 -1.800 -5.862 -10.806 1.00 41.13 N ATOM 1971 CA ASP A 127 -2.668 -6.357 -9.699 1.00 1.32 C ATOM 1972 C ASP A 127 -2.101 -7.646 -9.024 1.00 33.44 C ATOM 1973 O ASP A 127 -2.339 -7.892 -7.833 1.00 53.31 O ATOM 1974 CB ASP A 127 -4.110 -6.591 -10.227 1.00 5.23 C ATOM 1975 CG ASP A 127 -4.202 -7.672 -11.325 1.00 32.25 C ATOM 1976 OD1 ASP A 127 -3.572 -7.496 -12.393 1.00 22.22 O ATOM 1977 OD2 ASP A 127 -4.892 -8.701 -11.122 1.00 40.12 O ATOM 0 H ASP A 127 -2.023 -6.280 -11.709 1.00 41.13 H new ATOM 0 HA ASP A 127 -2.688 -5.590 -8.925 1.00 1.32 H new ATOM 0 HB2 ASP A 127 -4.751 -6.878 -9.393 1.00 5.23 H new ATOM 0 HB3 ASP A 127 -4.500 -5.652 -10.620 1.00 5.23 H new ATOM 1982 N ASN A 128 -1.374 -8.472 -9.814 1.00 35.45 N ATOM 1983 CA ASN A 128 -0.833 -9.793 -9.370 1.00 21.03 C ATOM 1984 C ASN A 128 0.562 -9.678 -8.705 1.00 62.51 C ATOM 1985 O ASN A 128 0.940 -10.535 -7.910 1.00 23.51 O ATOM 1986 CB ASN A 128 -0.740 -10.778 -10.568 1.00 1.34 C ATOM 1987 CG ASN A 128 -2.102 -11.212 -11.113 1.00 22.45 C ATOM 1988 OD1 ASN A 128 -2.662 -10.582 -11.999 1.00 70.31 O ATOM 1989 ND2 ASN A 128 -2.638 -12.307 -10.596 1.00 71.12 N ATOM 0 H ASN A 128 -1.142 -8.246 -10.781 1.00 35.45 H new ATOM 0 HA ASN A 128 -1.532 -10.171 -8.624 1.00 21.03 H new ATOM 0 HB2 ASN A 128 -0.170 -10.308 -11.370 1.00 1.34 H new ATOM 0 HB3 ASN A 128 -0.184 -11.663 -10.258 1.00 1.34 H new ATOM 0 HD21 ASN A 128 -3.539 -12.643 -10.936 1.00 71.12 H new ATOM 0 HD22 ASN A 128 -2.150 -12.814 -9.858 1.00 71.12 H new ATOM 1996 N VAL A 129 1.315 -8.625 -9.044 1.00 74.11 N ATOM 1997 CA VAL A 129 2.707 -8.434 -8.570 1.00 22.23 C ATOM 1998 C VAL A 129 2.745 -7.451 -7.369 1.00 73.44 C ATOM 1999 O VAL A 129 1.988 -6.474 -7.324 1.00 74.42 O ATOM 2000 CB VAL A 129 3.643 -7.923 -9.738 1.00 22.42 C ATOM 2001 CG1 VAL A 129 5.092 -7.652 -9.265 1.00 73.51 C ATOM 2002 CG2 VAL A 129 3.628 -8.902 -10.934 1.00 14.31 C ATOM 0 H VAL A 129 0.985 -7.877 -9.654 1.00 74.11 H new ATOM 0 HA VAL A 129 3.084 -9.401 -8.237 1.00 22.23 H new ATOM 0 HB VAL A 129 3.234 -6.968 -10.068 1.00 22.42 H new ATOM 0 HG11 VAL A 129 5.690 -7.304 -10.107 1.00 73.51 H new ATOM 0 HG12 VAL A 129 5.084 -6.890 -8.486 1.00 73.51 H new ATOM 0 HG13 VAL A 129 5.523 -8.571 -8.869 1.00 73.51 H new ATOM 0 HG21 VAL A 129 4.280 -8.524 -11.721 1.00 14.31 H new ATOM 0 HG22 VAL A 129 3.981 -9.880 -10.608 1.00 14.31 H new ATOM 0 HG23 VAL A 129 2.612 -8.993 -11.317 1.00 14.31 H new ATOM 2012 N VAL A 130 3.628 -7.746 -6.395 1.00 33.02 N ATOM 2013 CA VAL A 130 3.820 -6.937 -5.180 1.00 33.30 C ATOM 2014 C VAL A 130 4.644 -5.658 -5.520 1.00 64.35 C ATOM 2015 O VAL A 130 5.692 -5.759 -6.180 1.00 74.24 O ATOM 2016 CB VAL A 130 4.601 -7.761 -4.073 1.00 2.43 C ATOM 2017 CG1 VAL A 130 4.756 -6.962 -2.747 1.00 14.21 C ATOM 2018 CG2 VAL A 130 3.937 -9.136 -3.820 1.00 72.14 C ATOM 0 H VAL A 130 4.235 -8.565 -6.433 1.00 33.02 H new ATOM 0 HA VAL A 130 2.836 -6.662 -4.799 1.00 33.30 H new ATOM 0 HB VAL A 130 5.604 -7.938 -4.461 1.00 2.43 H new ATOM 0 HG11 VAL A 130 5.297 -7.567 -2.019 1.00 14.21 H new ATOM 0 HG12 VAL A 130 5.310 -6.043 -2.939 1.00 14.21 H new ATOM 0 HG13 VAL A 130 3.770 -6.716 -2.353 1.00 14.21 H new ATOM 0 HG21 VAL A 130 4.497 -9.675 -3.056 1.00 72.14 H new ATOM 0 HG22 VAL A 130 2.911 -8.988 -3.482 1.00 72.14 H new ATOM 0 HG23 VAL A 130 3.934 -9.714 -4.744 1.00 72.14 H new ATOM 2028 N PRO A 131 4.180 -4.440 -5.086 1.00 71.33 N ATOM 2029 CA PRO A 131 4.958 -3.181 -5.247 1.00 43.11 C ATOM 2030 C PRO A 131 6.321 -3.237 -4.508 1.00 1.31 C ATOM 2031 O PRO A 131 6.366 -3.540 -3.317 1.00 1.01 O ATOM 2032 CB PRO A 131 4.021 -2.105 -4.636 1.00 74.24 C ATOM 2033 CG PRO A 131 3.135 -2.878 -3.705 1.00 21.03 C ATOM 2034 CD PRO A 131 2.872 -4.178 -4.420 1.00 3.34 C ATOM 0 HA PRO A 131 5.221 -2.981 -6.286 1.00 43.11 H new ATOM 0 HB2 PRO A 131 4.586 -1.339 -4.105 1.00 74.24 H new ATOM 0 HB3 PRO A 131 3.442 -1.596 -5.407 1.00 74.24 H new ATOM 0 HG2 PRO A 131 3.621 -3.046 -2.744 1.00 21.03 H new ATOM 0 HG3 PRO A 131 2.208 -2.342 -3.504 1.00 21.03 H new ATOM 0 HD2 PRO A 131 2.600 -4.975 -3.728 1.00 3.34 H new ATOM 0 HD3 PRO A 131 2.059 -4.089 -5.140 1.00 3.34 H new ATOM 2042 N TYR A 132 7.417 -2.962 -5.232 1.00 51.44 N ATOM 2043 CA TYR A 132 8.797 -2.994 -4.677 1.00 14.22 C ATOM 2044 C TYR A 132 9.453 -1.595 -4.737 1.00 15.54 C ATOM 2045 O TYR A 132 9.043 -0.735 -5.534 1.00 10.51 O ATOM 2046 CB TYR A 132 9.665 -4.050 -5.430 1.00 74.03 C ATOM 2047 CG TYR A 132 9.732 -3.862 -6.961 1.00 3.04 C ATOM 2048 CD1 TYR A 132 8.753 -4.408 -7.796 1.00 43.12 C ATOM 2049 CD2 TYR A 132 10.771 -3.142 -7.568 1.00 31.33 C ATOM 2050 CE1 TYR A 132 8.799 -4.235 -9.164 1.00 24.03 C ATOM 2051 CE2 TYR A 132 10.817 -2.967 -8.936 1.00 54.52 C ATOM 2052 CZ TYR A 132 9.832 -3.518 -9.730 1.00 72.24 C ATOM 2053 OH TYR A 132 9.880 -3.351 -11.096 1.00 51.43 O ATOM 0 H TYR A 132 7.381 -2.710 -6.220 1.00 51.44 H new ATOM 0 HA TYR A 132 8.735 -3.287 -3.629 1.00 14.22 H new ATOM 0 HB2 TYR A 132 10.678 -4.018 -5.030 1.00 74.03 H new ATOM 0 HB3 TYR A 132 9.269 -5.043 -5.217 1.00 74.03 H new ATOM 0 HD1 TYR A 132 7.944 -4.977 -7.362 1.00 43.12 H new ATOM 0 HD2 TYR A 132 11.550 -2.716 -6.953 1.00 31.33 H new ATOM 0 HE1 TYR A 132 8.028 -4.660 -9.790 1.00 24.03 H new ATOM 0 HE2 TYR A 132 11.621 -2.401 -9.383 1.00 54.52 H new ATOM 0 HH TYR A 132 10.670 -2.821 -11.333 1.00 51.43 H new ATOM 2063 N PHE A 133 10.472 -1.378 -3.882 1.00 12.22 N ATOM 2064 CA PHE A 133 11.202 -0.094 -3.816 1.00 31.23 C ATOM 2065 C PHE A 133 12.089 0.120 -5.073 1.00 71.53 C ATOM 2066 O PHE A 133 12.774 -0.802 -5.534 1.00 72.42 O ATOM 2067 CB PHE A 133 12.052 -0.017 -2.521 1.00 4.30 C ATOM 2068 CG PHE A 133 12.594 1.387 -2.218 1.00 61.04 C ATOM 2069 CD1 PHE A 133 11.806 2.322 -1.544 1.00 21.05 C ATOM 2070 CD2 PHE A 133 13.868 1.783 -2.630 1.00 1.24 C ATOM 2071 CE1 PHE A 133 12.275 3.596 -1.287 1.00 4.54 C ATOM 2072 CE2 PHE A 133 14.328 3.061 -2.376 1.00 34.34 C ATOM 2073 CZ PHE A 133 13.534 3.966 -1.705 1.00 2.54 C ATOM 0 H PHE A 133 10.811 -2.079 -3.223 1.00 12.22 H new ATOM 0 HA PHE A 133 10.465 0.709 -3.794 1.00 31.23 H new ATOM 0 HB2 PHE A 133 11.446 -0.352 -1.679 1.00 4.30 H new ATOM 0 HB3 PHE A 133 12.890 -0.709 -2.606 1.00 4.30 H new ATOM 0 HD1 PHE A 133 10.814 2.045 -1.218 1.00 21.05 H new ATOM 0 HD2 PHE A 133 14.501 1.082 -3.153 1.00 1.24 H new ATOM 0 HE1 PHE A 133 11.653 4.303 -0.757 1.00 4.54 H new ATOM 0 HE2 PHE A 133 15.315 3.352 -2.705 1.00 34.34 H new ATOM 0 HZ PHE A 133 13.898 4.963 -1.507 1.00 2.54 H new