USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1073 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 47 THR OG1 : rot 50:sc= 0.858 USER MOD Set 1.2: A 50 ASN :FLIP amide:sc= 0.312 F(o=-4.6!,f=1.2) USER MOD Set 2.1: A 42 THR OG1 : rot 52:sc= -0.307 USER MOD Set 2.2: A 82 HIS :FLIP no HD1:sc= -0.647 F(o=-2,f=-0.84) USER MOD Set 2.3: A 132 THR OG1 : rot 46:sc= 0.111 USER MOD Set 3.1: A 31 ASN : amide:sc= -4.65! C(o=-4.5!,f=-5.5!) USER MOD Set 3.2: A 98 TYR OH : rot -21:sc= 0.149 USER MOD Set 4.1: A 15 HIS :FLIP no HE2:sc= 0.105 F(o=-3.2!,f=-1) USER MOD Set 4.2: A 41 ASN :FLIP amide:sc= -1.14 F(o=-4.9!,f=-1) USER MOD Single : A 1 ARG N :NH3+ 141:sc= -1.53 (180deg=-7.52!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -116:sc= -1.16! USER MOD Single : A 9 GLN :FLIP amide:sc= -2.06 F(o=-6.2!,f=-2.1) USER MOD Single : A 14 GLN : amide:sc= -6.96! C(o=-7!,f=-8.9!) USER MOD Single : A 17 SER OG : rot -40:sc= -0.334 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.243 F(o=-1.1,f=-0.24) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -145:sc= -6.7! (180deg=-11.2!) USER MOD Single : A 32 ASN : amide:sc= -0.0965 K(o=-0.096,f=-1.8!) USER MOD Single : A 33 TYR OH : rot 180:sc= -3.1! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.174 F(o=-1.6,f=-0.17) USER MOD Single : A 40 GLN : amide:sc= -0.0964 K(o=-0.096,f=-1.6!) USER MOD Single : A 46 THR OG1 : rot -165:sc= -1.39 USER MOD Single : A 53 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.26) USER MOD Single : A 57 ASN : amide:sc= -0.0213 K(o=-0.021,f=-1.2) USER MOD Single : A 58 GLN : amide:sc=-0.00127 X(o=-0.0013,f=-0.1) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0374 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -3.93! C(o=-4.7!,f=-3.9!) USER MOD Single : A 65 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.43) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.27) USER MOD Single : A 70 ASN : amide:sc= -0.0216 K(o=-0.022,f=-2.1!) USER MOD Single : A 72 HIS : no HE2:sc= -5.96! C(o=-6!,f=-6.9!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.822 USER MOD Single : A 87 ASN : amide:sc= -7.64! C(o=-7.6!,f=-12!) USER MOD Single : A 91 GLN : amide:sc=-3.55e-05 K(o=-3.5e-05,f=-0.98) USER MOD Single : A 92 ASN : amide:sc= -3.32 K(o=-3.3,f=-7.7!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.065 K(o=-0.065,f=-1.6!) USER MOD Single : A 107 TYR OH : rot 30:sc= -0.77 USER MOD Single : A 113 ASN : amide:sc= -0.0618 K(o=-0.062,f=-0.57) USER MOD Single : A 119 SER OG : rot 130:sc= -1.1 USER MOD Single : A 122 TYR OH : rot 150:sc= -3.57! USER MOD Single : A 128 HIS :FLIP no HD1:sc= -1.38! C(o=-3.2!,f=-1.4!) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0154 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.592 -9.916 -0.932 1.00 73.23 N ATOM 2 CA ARG A 1 7.801 -9.698 -1.717 1.00 13.14 C ATOM 3 C ARG A 1 8.283 -11.001 -2.348 1.00 54.12 C ATOM 4 O ARG A 1 9.409 -11.446 -2.128 1.00 41.50 O ATOM 5 CB ARG A 1 8.904 -9.106 -0.838 1.00 12.53 C ATOM 6 CG ARG A 1 8.962 -9.709 0.556 1.00 11.41 C ATOM 7 CD ARG A 1 9.884 -10.918 0.602 1.00 14.50 C ATOM 8 NE ARG A 1 11.188 -10.633 0.010 1.00 4.14 N ATOM 9 CZ ARG A 1 12.033 -11.575 -0.393 1.00 72.44 C ATOM 10 NH1 ARG A 1 11.711 -12.856 -0.271 1.00 2.13 N ATOM 11 NH2 ARG A 1 13.203 -11.238 -0.923 1.00 54.51 N ATOM 0 H1 ARG A 1 6.632 -9.342 -0.066 1.00 73.23 H new ATOM 0 H2 ARG A 1 5.760 -9.640 -1.492 1.00 73.23 H new ATOM 0 H3 ARG A 1 6.520 -10.922 -0.678 1.00 73.23 H new ATOM 0 HA ARG A 1 7.564 -8.995 -2.515 1.00 13.14 H new ATOM 0 HB2 ARG A 1 9.866 -9.253 -1.329 1.00 12.53 H new ATOM 0 HB3 ARG A 1 8.751 -8.030 -0.753 1.00 12.53 H new ATOM 0 HG2 ARG A 1 9.310 -8.957 1.265 1.00 11.41 H new ATOM 0 HG3 ARG A 1 7.960 -10.002 0.869 1.00 11.41 H new ATOM 0 HD2 ARG A 1 10.017 -11.234 1.637 1.00 14.50 H new ATOM 0 HD3 ARG A 1 9.419 -11.749 0.072 1.00 14.50 H new ATOM 0 HE ARG A 1 11.465 -9.658 -0.100 1.00 4.14 H new ATOM 0 HH11 ARG A 1 10.812 -13.120 0.133 1.00 2.13 H new ATOM 0 HH12 ARG A 1 12.362 -13.577 -0.581 1.00 2.13 H new ATOM 0 HH21 ARG A 1 13.454 -10.254 -1.021 1.00 54.51 H new ATOM 0 HH22 ARG A 1 13.851 -11.963 -1.232 1.00 54.51 H new ATOM 25 N PRO A 2 7.410 -11.627 -3.150 1.00 24.53 N ATOM 26 CA PRO A 2 7.724 -12.889 -3.829 1.00 23.11 C ATOM 27 C PRO A 2 8.761 -12.710 -4.933 1.00 53.23 C ATOM 28 O PRO A 2 9.110 -11.593 -5.315 1.00 53.04 O ATOM 29 CB PRO A 2 6.380 -13.316 -4.422 1.00 74.44 C ATOM 30 CG PRO A 2 5.617 -12.047 -4.587 1.00 64.22 C ATOM 31 CD PRO A 2 6.050 -11.155 -3.457 1.00 52.24 C ATOM 0 HA PRO A 2 8.157 -13.622 -3.148 1.00 23.11 H new ATOM 0 HB2 PRO A 2 6.513 -13.825 -5.377 1.00 74.44 H new ATOM 0 HB3 PRO A 2 5.858 -14.008 -3.761 1.00 74.44 H new ATOM 0 HG2 PRO A 2 5.830 -11.586 -5.552 1.00 64.22 H new ATOM 0 HG3 PRO A 2 4.543 -12.230 -4.551 1.00 64.22 H new ATOM 0 HD2 PRO A 2 6.046 -10.105 -3.750 1.00 52.24 H new ATOM 0 HD3 PRO A 2 5.389 -11.248 -2.596 1.00 52.24 H new ATOM 39 N PRO A 3 9.266 -13.836 -5.460 1.00 31.01 N ATOM 40 CA PRO A 3 10.270 -13.829 -6.528 1.00 72.51 C ATOM 41 C PRO A 3 9.698 -13.347 -7.857 1.00 75.23 C ATOM 42 O PRO A 3 10.438 -13.112 -8.812 1.00 72.01 O ATOM 43 CB PRO A 3 10.691 -15.297 -6.628 1.00 22.15 C ATOM 44 CG PRO A 3 9.521 -16.063 -6.114 1.00 54.05 C ATOM 45 CD PRO A 3 8.896 -15.202 -5.053 1.00 11.31 C ATOM 0 HA PRO A 3 11.094 -13.149 -6.310 1.00 72.51 H new ATOM 0 HB2 PRO A 3 10.924 -15.573 -7.657 1.00 22.15 H new ATOM 0 HB3 PRO A 3 11.584 -15.494 -6.035 1.00 22.15 H new ATOM 0 HG2 PRO A 3 8.811 -16.274 -6.914 1.00 54.05 H new ATOM 0 HG3 PRO A 3 9.833 -17.023 -5.703 1.00 54.05 H new ATOM 0 HD2 PRO A 3 7.814 -15.331 -5.016 1.00 11.31 H new ATOM 0 HD3 PRO A 3 9.280 -15.444 -4.062 1.00 11.31 H new ATOM 53 N GLN A 4 8.378 -13.203 -7.911 1.00 31.24 N ATOM 54 CA GLN A 4 7.708 -12.749 -9.124 1.00 41.12 C ATOM 55 C GLN A 4 7.609 -11.227 -9.155 1.00 24.14 C ATOM 56 O GLN A 4 7.728 -10.609 -10.213 1.00 50.42 O ATOM 57 CB GLN A 4 6.310 -13.365 -9.221 1.00 45.41 C ATOM 58 CG GLN A 4 6.320 -14.882 -9.317 1.00 21.13 C ATOM 59 CD GLN A 4 5.069 -15.511 -8.736 1.00 20.23 C ATOM 60 OE1 GLN A 4 5.143 -16.390 -7.877 1.00 22.35 O ATOM 61 NE2 GLN A 4 3.909 -15.062 -9.203 1.00 25.34 N ATOM 0 H GLN A 4 7.751 -13.394 -7.129 1.00 31.24 H new ATOM 0 HA GLN A 4 8.301 -13.074 -9.979 1.00 41.12 H new ATOM 0 HB2 GLN A 4 5.730 -13.068 -8.347 1.00 45.41 H new ATOM 0 HB3 GLN A 4 5.802 -12.957 -10.095 1.00 45.41 H new ATOM 0 HG2 GLN A 4 6.418 -15.176 -10.362 1.00 21.13 H new ATOM 0 HG3 GLN A 4 7.194 -15.270 -8.794 1.00 21.13 H new ATOM 0 HE21 GLN A 4 3.894 -14.332 -9.915 1.00 25.34 H new ATOM 0 HE22 GLN A 4 3.033 -15.447 -8.849 1.00 25.34 H new ATOM 70 N PHE A 5 7.390 -10.630 -7.989 1.00 32.04 N ATOM 71 CA PHE A 5 7.274 -9.180 -7.881 1.00 72.44 C ATOM 72 C PHE A 5 8.363 -8.612 -6.977 1.00 22.00 C ATOM 73 O PHE A 5 8.963 -9.333 -6.179 1.00 62.22 O ATOM 74 CB PHE A 5 5.895 -8.797 -7.342 1.00 51.23 C ATOM 75 CG PHE A 5 4.768 -9.558 -7.978 1.00 64.34 C ATOM 76 CD1 PHE A 5 4.573 -9.516 -9.350 1.00 52.42 C ATOM 77 CD2 PHE A 5 3.904 -10.318 -7.207 1.00 22.15 C ATOM 78 CE1 PHE A 5 3.537 -10.215 -9.939 1.00 23.45 C ATOM 79 CE2 PHE A 5 2.866 -11.020 -7.790 1.00 2.44 C ATOM 80 CZ PHE A 5 2.682 -10.969 -9.158 1.00 5.11 C ATOM 0 H PHE A 5 7.289 -11.128 -7.104 1.00 32.04 H new ATOM 0 HA PHE A 5 7.398 -8.755 -8.877 1.00 72.44 H new ATOM 0 HB2 PHE A 5 5.875 -8.967 -6.266 1.00 51.23 H new ATOM 0 HB3 PHE A 5 5.736 -7.730 -7.499 1.00 51.23 H new ATOM 0 HD1 PHE A 5 5.239 -8.930 -9.966 1.00 52.42 H new ATOM 0 HD2 PHE A 5 4.043 -10.363 -6.137 1.00 22.15 H new ATOM 0 HE1 PHE A 5 3.396 -10.172 -11.009 1.00 23.45 H new ATOM 0 HE2 PHE A 5 2.199 -11.608 -7.177 1.00 2.44 H new ATOM 0 HZ PHE A 5 1.872 -11.517 -9.616 1.00 5.11 H new ATOM 90 N THR A 6 8.614 -7.313 -7.106 1.00 71.23 N ATOM 91 CA THR A 6 9.631 -6.648 -6.303 1.00 1.51 C ATOM 92 C THR A 6 9.005 -5.907 -5.127 1.00 53.22 C ATOM 93 O THR A 6 7.804 -5.636 -5.120 1.00 63.20 O ATOM 94 CB THR A 6 10.449 -5.651 -7.145 1.00 40.22 C ATOM 95 OG1 THR A 6 9.574 -4.871 -7.969 1.00 24.13 O ATOM 96 CG2 THR A 6 11.459 -6.381 -8.019 1.00 23.34 C ATOM 0 H THR A 6 8.126 -6.701 -7.760 1.00 71.23 H new ATOM 0 HA THR A 6 10.295 -7.426 -5.927 1.00 1.51 H new ATOM 0 HB THR A 6 10.989 -4.993 -6.464 1.00 40.22 H new ATOM 0 HG1 THR A 6 9.756 -5.062 -8.913 1.00 24.13 H new ATOM 0 HG21 THR A 6 12.025 -5.656 -8.604 1.00 23.34 H new ATOM 0 HG22 THR A 6 12.142 -6.950 -7.388 1.00 23.34 H new ATOM 0 HG23 THR A 6 10.935 -7.060 -8.691 1.00 23.34 H new ATOM 104 N ARG A 7 9.826 -5.581 -4.133 1.00 62.12 N ATOM 105 CA ARG A 7 9.352 -4.872 -2.951 1.00 64.33 C ATOM 106 C ARG A 7 8.634 -3.584 -3.342 1.00 42.31 C ATOM 107 O ARG A 7 7.850 -3.039 -2.565 1.00 73.55 O ATOM 108 CB ARG A 7 10.522 -4.555 -2.018 1.00 15.12 C ATOM 109 CG ARG A 7 11.862 -4.467 -2.729 1.00 15.34 C ATOM 110 CD ARG A 7 12.919 -3.820 -1.848 1.00 11.34 C ATOM 111 NE ARG A 7 14.229 -4.441 -2.018 1.00 11.22 N ATOM 112 CZ ARG A 7 14.891 -4.456 -3.170 1.00 32.41 C ATOM 113 NH1 ARG A 7 14.367 -3.887 -4.246 1.00 72.15 N ATOM 114 NH2 ARG A 7 16.079 -5.041 -3.246 1.00 31.33 N ATOM 0 H ARG A 7 10.823 -5.797 -4.123 1.00 62.12 H new ATOM 0 HA ARG A 7 8.645 -5.517 -2.429 1.00 64.33 H new ATOM 0 HB2 ARG A 7 10.326 -3.610 -1.512 1.00 15.12 H new ATOM 0 HB3 ARG A 7 10.579 -5.323 -1.247 1.00 15.12 H new ATOM 0 HG2 ARG A 7 12.189 -5.466 -3.017 1.00 15.34 H new ATOM 0 HG3 ARG A 7 11.750 -3.891 -3.648 1.00 15.34 H new ATOM 0 HD2 ARG A 7 12.988 -2.758 -2.085 1.00 11.34 H new ATOM 0 HD3 ARG A 7 12.615 -3.894 -0.804 1.00 11.34 H new ATOM 0 HE ARG A 7 14.660 -4.888 -1.208 1.00 11.22 H new ATOM 0 HH11 ARG A 7 13.454 -3.436 -4.191 1.00 72.15 H new ATOM 0 HH12 ARG A 7 14.877 -3.900 -5.129 1.00 72.15 H new ATOM 0 HH21 ARG A 7 16.485 -5.480 -2.420 1.00 31.33 H new ATOM 0 HH22 ARG A 7 16.586 -5.052 -4.131 1.00 31.33 H new ATOM 128 N ALA A 8 8.910 -3.101 -4.549 1.00 61.51 N ATOM 129 CA ALA A 8 8.289 -1.879 -5.043 1.00 20.21 C ATOM 130 C ALA A 8 6.984 -2.180 -5.772 1.00 20.20 C ATOM 131 O ALA A 8 5.900 -1.892 -5.266 1.00 24.53 O ATOM 132 CB ALA A 8 9.249 -1.134 -5.960 1.00 34.21 C ATOM 0 H ALA A 8 9.560 -3.538 -5.203 1.00 61.51 H new ATOM 0 HA ALA A 8 8.057 -1.247 -4.186 1.00 20.21 H new ATOM 0 HB1 ALA A 8 8.773 -0.223 -6.322 1.00 34.21 H new ATOM 0 HB2 ALA A 8 10.153 -0.876 -5.408 1.00 34.21 H new ATOM 0 HB3 ALA A 8 9.509 -1.769 -6.807 1.00 34.21 H new ATOM 138 N GLN A 9 7.097 -2.760 -6.963 1.00 24.22 N ATOM 139 CA GLN A 9 5.925 -3.100 -7.761 1.00 51.42 C ATOM 140 C GLN A 9 4.950 -3.957 -6.960 1.00 41.34 C ATOM 141 O GLN A 9 3.752 -3.979 -7.243 1.00 52.45 O ATOM 142 CB GLN A 9 6.345 -3.837 -9.034 1.00 72.41 C ATOM 143 CG GLN A 9 6.306 -5.351 -8.900 1.00 21.51 C ATOM 144 CD GLN A 9 4.995 -5.945 -9.375 1.00 22.14 C ATOM 145 OE1 GLN A 9 4.178 -6.404 -8.433 1.00 64.51 O flip ATOM 146 NE2 GLN A 9 4.719 -5.992 -10.573 1.00 52.23 N flip ATOM 0 H GLN A 9 7.988 -3.004 -7.396 1.00 24.22 H new ATOM 0 HA GLN A 9 5.422 -2.173 -8.036 1.00 51.42 H new ATOM 0 HB2 GLN A 9 5.690 -3.536 -9.851 1.00 72.41 H new ATOM 0 HB3 GLN A 9 7.355 -3.530 -9.305 1.00 72.41 H new ATOM 0 HG2 GLN A 9 7.126 -5.784 -9.473 1.00 21.51 H new ATOM 0 HG3 GLN A 9 6.468 -5.624 -7.857 1.00 21.51 H new ATOM 0 HE21 GLN A 9 5.376 -5.628 -11.262 1.00 52.23 H new ATOM 0 HE22 GLN A 9 3.833 -6.395 -10.877 1.00 52.23 H new ATOM 155 N TRP A 10 5.472 -4.660 -5.962 1.00 52.03 N ATOM 156 CA TRP A 10 4.646 -5.519 -5.121 1.00 2.33 C ATOM 157 C TRP A 10 3.966 -4.712 -4.020 1.00 62.11 C ATOM 158 O TRP A 10 2.882 -5.064 -3.558 1.00 34.54 O ATOM 159 CB TRP A 10 5.496 -6.631 -4.503 1.00 23.01 C ATOM 160 CG TRP A 10 4.683 -7.702 -3.843 1.00 20.04 C ATOM 161 CD1 TRP A 10 4.852 -8.200 -2.582 1.00 65.21 C ATOM 162 CD2 TRP A 10 3.574 -8.409 -4.410 1.00 3.42 C ATOM 163 NE1 TRP A 10 3.916 -9.174 -2.331 1.00 15.40 N ATOM 164 CE2 TRP A 10 3.119 -9.320 -3.436 1.00 41.41 C ATOM 165 CE3 TRP A 10 2.920 -8.359 -5.643 1.00 61.53 C ATOM 166 CZ2 TRP A 10 2.042 -10.173 -3.661 1.00 25.24 C ATOM 167 CZ3 TRP A 10 1.851 -9.207 -5.865 1.00 63.30 C ATOM 168 CH2 TRP A 10 1.421 -10.103 -4.878 1.00 71.41 C ATOM 0 H TRP A 10 6.462 -4.653 -5.715 1.00 52.03 H new ATOM 0 HA TRP A 10 3.874 -5.966 -5.748 1.00 2.33 H new ATOM 0 HB2 TRP A 10 6.114 -7.081 -5.280 1.00 23.01 H new ATOM 0 HB3 TRP A 10 6.174 -6.195 -3.769 1.00 23.01 H new ATOM 0 HD1 TRP A 10 5.610 -7.876 -1.885 1.00 65.21 H new ATOM 0 HE1 TRP A 10 3.829 -9.703 -1.463 1.00 15.40 H new ATOM 0 HE3 TRP A 10 3.244 -7.670 -6.409 1.00 61.53 H new ATOM 0 HZ2 TRP A 10 1.709 -10.865 -2.902 1.00 25.24 H new ATOM 0 HZ3 TRP A 10 1.339 -9.178 -6.815 1.00 63.30 H new ATOM 0 HH2 TRP A 10 0.582 -10.752 -5.082 1.00 71.41 H new ATOM 179 N PHE A 11 4.611 -3.626 -3.604 1.00 75.30 N ATOM 180 CA PHE A 11 4.067 -2.769 -2.556 1.00 25.34 C ATOM 181 C PHE A 11 2.729 -2.171 -2.982 1.00 24.44 C ATOM 182 O PHE A 11 1.752 -2.217 -2.236 1.00 33.22 O ATOM 183 CB PHE A 11 5.055 -1.650 -2.220 1.00 64.44 C ATOM 184 CG PHE A 11 4.391 -0.378 -1.777 1.00 2.41 C ATOM 185 CD1 PHE A 11 3.833 0.487 -2.704 1.00 54.23 C ATOM 186 CD2 PHE A 11 4.324 -0.047 -0.432 1.00 65.35 C ATOM 187 CE1 PHE A 11 3.222 1.659 -2.299 1.00 12.24 C ATOM 188 CE2 PHE A 11 3.715 1.123 -0.022 1.00 21.12 C ATOM 189 CZ PHE A 11 3.162 1.976 -0.956 1.00 14.14 C ATOM 0 H PHE A 11 5.510 -3.319 -3.976 1.00 75.30 H new ATOM 0 HA PHE A 11 3.905 -3.380 -1.668 1.00 25.34 H new ATOM 0 HB2 PHE A 11 5.727 -1.993 -1.433 1.00 64.44 H new ATOM 0 HB3 PHE A 11 5.670 -1.444 -3.096 1.00 64.44 H new ATOM 0 HD1 PHE A 11 3.876 0.243 -3.755 1.00 54.23 H new ATOM 0 HD2 PHE A 11 4.753 -0.712 0.303 1.00 65.35 H new ATOM 0 HE1 PHE A 11 2.792 2.326 -3.032 1.00 12.24 H new ATOM 0 HE2 PHE A 11 3.671 1.370 1.028 1.00 21.12 H new ATOM 0 HZ PHE A 11 2.683 2.890 -0.637 1.00 14.14 H new ATOM 199 N ALA A 12 2.695 -1.611 -4.186 1.00 52.33 N ATOM 200 CA ALA A 12 1.478 -1.005 -4.713 1.00 41.11 C ATOM 201 C ALA A 12 0.409 -2.060 -4.972 1.00 75.35 C ATOM 202 O ALA A 12 -0.787 -1.773 -4.908 1.00 14.20 O ATOM 203 CB ALA A 12 1.783 -0.232 -5.988 1.00 21.50 C ATOM 0 H ALA A 12 3.496 -1.564 -4.815 1.00 52.33 H new ATOM 0 HA ALA A 12 1.092 -0.311 -3.966 1.00 41.11 H new ATOM 0 HB1 ALA A 12 0.866 0.215 -6.371 1.00 21.50 H new ATOM 0 HB2 ALA A 12 2.507 0.554 -5.773 1.00 21.50 H new ATOM 0 HB3 ALA A 12 2.195 -0.910 -6.735 1.00 21.50 H new ATOM 209 N ILE A 13 0.846 -3.279 -5.269 1.00 20.15 N ATOM 210 CA ILE A 13 -0.076 -4.376 -5.538 1.00 21.50 C ATOM 211 C ILE A 13 -1.051 -4.571 -4.382 1.00 2.23 C ATOM 212 O ILE A 13 -2.222 -4.889 -4.592 1.00 5.21 O ATOM 213 CB ILE A 13 0.678 -5.696 -5.787 1.00 41.32 C ATOM 214 CG1 ILE A 13 1.150 -5.772 -7.240 1.00 45.51 C ATOM 215 CG2 ILE A 13 -0.210 -6.884 -5.450 1.00 60.54 C ATOM 216 CD1 ILE A 13 0.207 -6.534 -8.144 1.00 61.23 C ATOM 0 H ILE A 13 1.832 -3.532 -5.329 1.00 20.15 H new ATOM 0 HA ILE A 13 -0.631 -4.108 -6.437 1.00 21.50 H new ATOM 0 HB ILE A 13 1.553 -5.726 -5.138 1.00 41.32 H new ATOM 0 HG12 ILE A 13 1.273 -4.760 -7.627 1.00 45.51 H new ATOM 0 HG13 ILE A 13 2.131 -6.246 -7.270 1.00 45.51 H new ATOM 0 HG21 ILE A 13 0.336 -7.810 -5.631 1.00 60.54 H new ATOM 0 HG22 ILE A 13 -0.502 -6.834 -4.401 1.00 60.54 H new ATOM 0 HG23 ILE A 13 -1.102 -6.861 -6.076 1.00 60.54 H new ATOM 0 HD11 ILE A 13 0.606 -6.547 -9.158 1.00 61.23 H new ATOM 0 HD12 ILE A 13 0.103 -7.557 -7.782 1.00 61.23 H new ATOM 0 HD13 ILE A 13 -0.769 -6.048 -8.144 1.00 61.23 H new ATOM 228 N GLN A 14 -0.561 -4.376 -3.162 1.00 63.22 N ATOM 229 CA GLN A 14 -1.390 -4.530 -1.972 1.00 72.32 C ATOM 230 C GLN A 14 -1.777 -3.170 -1.399 1.00 31.30 C ATOM 231 O GLN A 14 -2.874 -2.999 -0.867 1.00 31.44 O ATOM 232 CB GLN A 14 -0.653 -5.353 -0.914 1.00 55.54 C ATOM 233 CG GLN A 14 -0.106 -6.670 -1.440 1.00 43.43 C ATOM 234 CD GLN A 14 1.310 -6.543 -1.969 1.00 54.22 C ATOM 235 OE1 GLN A 14 1.620 -7.013 -3.063 1.00 65.40 O ATOM 236 NE2 GLN A 14 2.178 -5.904 -1.192 1.00 53.20 N ATOM 0 H GLN A 14 0.405 -4.111 -2.972 1.00 63.22 H new ATOM 0 HA GLN A 14 -2.301 -5.055 -2.259 1.00 72.32 H new ATOM 0 HB2 GLN A 14 0.170 -4.761 -0.514 1.00 55.54 H new ATOM 0 HB3 GLN A 14 -1.332 -5.556 -0.086 1.00 55.54 H new ATOM 0 HG2 GLN A 14 -0.127 -7.412 -0.642 1.00 43.43 H new ATOM 0 HG3 GLN A 14 -0.755 -7.038 -2.235 1.00 43.43 H new ATOM 0 HE21 GLN A 14 1.878 -5.530 -0.292 1.00 53.20 H new ATOM 0 HE22 GLN A 14 3.145 -5.787 -1.496 1.00 53.20 H new ATOM 245 N HIS A 15 -0.869 -2.206 -1.511 1.00 25.52 N ATOM 246 CA HIS A 15 -1.115 -0.861 -1.004 1.00 24.24 C ATOM 247 C HIS A 15 -1.746 0.018 -2.079 1.00 24.13 C ATOM 248 O HIS A 15 -2.080 1.177 -1.830 1.00 65.02 O ATOM 249 CB HIS A 15 0.190 -0.232 -0.515 1.00 15.44 C ATOM 250 CG HIS A 15 0.586 -0.670 0.862 1.00 44.53 C ATOM 251 ND1 HIS A 15 1.774 -1.105 1.343 1.00 0.24 N flip ATOM 252 CD2 HIS A 15 -0.289 -0.693 1.926 1.00 1.35 C flip ATOM 253 CE1 HIS A 15 1.597 -1.379 2.678 1.00 4.24 C flip ATOM 254 NE2 HIS A 15 0.343 -1.121 3.004 1.00 73.44 N flip ATOM 0 H HIS A 15 0.044 -2.331 -1.948 1.00 25.52 H new ATOM 0 HA HIS A 15 -1.810 -0.936 -0.167 1.00 24.24 H new ATOM 0 HB2 HIS A 15 0.989 -0.485 -1.212 1.00 15.44 H new ATOM 0 HB3 HIS A 15 0.088 0.853 -0.527 1.00 15.44 H new ATOM 0 HD1 HIS A 15 2.639 -1.210 0.813 1.00 0.24 H new ATOM 0 HD2 HIS A 15 -1.329 -0.406 1.885 1.00 1.35 H new ATOM 0 HE1 HIS A 15 2.358 -1.745 3.351 1.00 4.24 H new ATOM 263 N ILE A 16 -1.907 -0.541 -3.274 1.00 40.42 N ATOM 264 CA ILE A 16 -2.497 0.193 -4.386 1.00 30.41 C ATOM 265 C ILE A 16 -3.416 -0.704 -5.210 1.00 4.13 C ATOM 266 O ILE A 16 -3.033 -1.804 -5.606 1.00 22.43 O ATOM 267 CB ILE A 16 -1.416 0.786 -5.308 1.00 21.42 C ATOM 268 CG1 ILE A 16 -1.160 2.252 -4.954 1.00 61.40 C ATOM 269 CG2 ILE A 16 -1.831 0.652 -6.766 1.00 1.42 C ATOM 270 CD1 ILE A 16 -0.145 2.923 -5.852 1.00 75.30 C ATOM 0 H ILE A 16 -1.637 -1.499 -3.496 1.00 40.42 H new ATOM 0 HA ILE A 16 -3.079 1.007 -3.953 1.00 30.41 H new ATOM 0 HB ILE A 16 -0.490 0.230 -5.161 1.00 21.42 H new ATOM 0 HG12 ILE A 16 -2.101 2.800 -5.010 1.00 61.40 H new ATOM 0 HG13 ILE A 16 -0.816 2.313 -3.922 1.00 61.40 H new ATOM 0 HG21 ILE A 16 -1.056 1.076 -7.405 1.00 1.42 H new ATOM 0 HG22 ILE A 16 -1.967 -0.402 -7.010 1.00 1.42 H new ATOM 0 HG23 ILE A 16 -2.767 1.186 -6.928 1.00 1.42 H new ATOM 0 HD11 ILE A 16 -0.014 3.960 -5.542 1.00 75.30 H new ATOM 0 HD12 ILE A 16 0.808 2.399 -5.779 1.00 75.30 H new ATOM 0 HD13 ILE A 16 -0.496 2.894 -6.883 1.00 75.30 H new ATOM 282 N SER A 17 -4.628 -0.224 -5.466 1.00 33.43 N ATOM 283 CA SER A 17 -5.603 -0.983 -6.242 1.00 22.24 C ATOM 284 C SER A 17 -6.677 -0.063 -6.815 1.00 64.22 C ATOM 285 O SER A 17 -7.506 0.475 -6.081 1.00 14.12 O ATOM 286 CB SER A 17 -6.252 -2.060 -5.370 1.00 61.41 C ATOM 287 OG SER A 17 -5.312 -2.624 -4.472 1.00 4.44 O ATOM 0 H SER A 17 -4.959 0.687 -5.148 1.00 33.43 H new ATOM 0 HA SER A 17 -5.079 -1.461 -7.070 1.00 22.24 H new ATOM 0 HB2 SER A 17 -7.081 -1.628 -4.810 1.00 61.41 H new ATOM 0 HB3 SER A 17 -6.669 -2.843 -6.004 1.00 61.41 H new ATOM 0 HG SER A 17 -4.454 -2.746 -4.930 1.00 4.44 H new ATOM 293 N LEU A 18 -6.653 0.114 -8.131 1.00 71.45 N ATOM 294 CA LEU A 18 -7.623 0.968 -8.806 1.00 14.23 C ATOM 295 C LEU A 18 -9.023 0.369 -8.730 1.00 20.52 C ATOM 296 O LEU A 18 -9.968 1.024 -8.292 1.00 20.21 O ATOM 297 CB LEU A 18 -7.222 1.174 -10.268 1.00 34.41 C ATOM 298 CG LEU A 18 -5.723 1.134 -10.564 1.00 72.34 C ATOM 299 CD1 LEU A 18 -5.448 1.586 -11.990 1.00 14.31 C ATOM 300 CD2 LEU A 18 -4.959 1.998 -9.572 1.00 31.12 C ATOM 0 H LEU A 18 -5.972 -0.323 -8.752 1.00 71.45 H new ATOM 0 HA LEU A 18 -7.633 1.933 -8.300 1.00 14.23 H new ATOM 0 HB2 LEU A 18 -7.711 0.408 -10.870 1.00 34.41 H new ATOM 0 HB3 LEU A 18 -7.612 2.137 -10.599 1.00 34.41 H new ATOM 0 HG LEU A 18 -5.379 0.105 -10.458 1.00 72.34 H new ATOM 0 HD11 LEU A 18 -4.376 1.551 -12.182 1.00 14.31 H new ATOM 0 HD12 LEU A 18 -5.964 0.925 -12.687 1.00 14.31 H new ATOM 0 HD13 LEU A 18 -5.807 2.606 -12.124 1.00 14.31 H new ATOM 0 HD21 LEU A 18 -3.894 1.957 -9.799 1.00 31.12 H new ATOM 0 HD22 LEU A 18 -5.306 3.029 -9.645 1.00 31.12 H new ATOM 0 HD23 LEU A 18 -5.129 1.628 -8.561 1.00 31.12 H new ATOM 312 N ASN A 19 -9.149 -0.883 -9.159 1.00 21.23 N ATOM 313 CA ASN A 19 -10.434 -1.573 -9.138 1.00 63.04 C ATOM 314 C ASN A 19 -10.329 -2.897 -8.387 1.00 43.21 C ATOM 315 O ASN A 19 -10.534 -3.975 -8.946 1.00 42.33 O ATOM 316 CB ASN A 19 -10.925 -1.823 -10.566 1.00 12.42 C ATOM 317 CG ASN A 19 -9.794 -2.170 -11.515 1.00 31.34 C ATOM 318 OD1 ASN A 19 -9.134 -1.149 -12.048 1.00 34.52 O flip ATOM 319 ND2 ASN A 19 -9.518 -3.343 -11.765 1.00 12.42 N flip ATOM 0 H ASN A 19 -8.377 -1.440 -9.525 1.00 21.23 H new ATOM 0 HA ASN A 19 -11.151 -0.937 -8.619 1.00 63.04 H new ATOM 0 HB2 ASN A 19 -11.652 -2.635 -10.560 1.00 12.42 H new ATOM 0 HB3 ASN A 19 -11.441 -0.935 -10.930 1.00 12.42 H new ATOM 0 HD21 ASN A 19 -10.053 -4.096 -11.332 1.00 12.42 H new ATOM 0 HD22 ASN A 19 -8.755 -3.562 -12.405 1.00 12.42 H new ATOM 326 N PRO A 20 -10.001 -2.816 -7.088 1.00 60.15 N ATOM 327 CA PRO A 20 -9.863 -3.997 -6.233 1.00 3.32 C ATOM 328 C PRO A 20 -11.201 -4.672 -5.954 1.00 61.30 C ATOM 329 O PRO A 20 -12.150 -4.050 -5.474 1.00 41.14 O ATOM 330 CB PRO A 20 -9.270 -3.431 -4.939 1.00 53.15 C ATOM 331 CG PRO A 20 -9.699 -2.005 -4.920 1.00 40.40 C ATOM 332 CD PRO A 20 -9.742 -1.565 -6.358 1.00 10.14 C ATOM 0 HA PRO A 20 -9.249 -4.767 -6.699 1.00 3.32 H new ATOM 0 HB2 PRO A 20 -9.640 -3.968 -4.066 1.00 53.15 H new ATOM 0 HB3 PRO A 20 -8.184 -3.518 -4.930 1.00 53.15 H new ATOM 0 HG2 PRO A 20 -10.677 -1.898 -4.450 1.00 40.40 H new ATOM 0 HG3 PRO A 20 -9.001 -1.395 -4.346 1.00 40.40 H new ATOM 0 HD2 PRO A 20 -10.527 -0.829 -6.530 1.00 10.14 H new ATOM 0 HD3 PRO A 20 -8.802 -1.107 -6.667 1.00 10.14 H new ATOM 340 N PRO A 21 -11.283 -5.975 -6.260 1.00 31.24 N ATOM 341 CA PRO A 21 -12.501 -6.763 -6.049 1.00 73.35 C ATOM 342 C PRO A 21 -12.796 -6.991 -4.571 1.00 52.24 C ATOM 343 O PRO A 21 -12.289 -6.273 -3.709 1.00 72.04 O ATOM 344 CB PRO A 21 -12.190 -8.091 -6.744 1.00 4.43 C ATOM 345 CG PRO A 21 -10.704 -8.191 -6.722 1.00 2.45 C ATOM 346 CD PRO A 21 -10.193 -6.780 -6.834 1.00 25.11 C ATOM 0 HA PRO A 21 -13.385 -6.259 -6.440 1.00 73.35 H new ATOM 0 HB2 PRO A 21 -12.651 -8.929 -6.221 1.00 4.43 H new ATOM 0 HB3 PRO A 21 -12.573 -8.103 -7.765 1.00 4.43 H new ATOM 0 HG2 PRO A 21 -10.358 -8.660 -5.801 1.00 2.45 H new ATOM 0 HG3 PRO A 21 -10.342 -8.804 -7.547 1.00 2.45 H new ATOM 0 HD2 PRO A 21 -9.262 -6.645 -6.284 1.00 25.11 H new ATOM 0 HD3 PRO A 21 -9.994 -6.506 -7.870 1.00 25.11 H new ATOM 354 N ARG A 22 -13.619 -7.995 -4.284 1.00 65.14 N ATOM 355 CA ARG A 22 -13.981 -8.317 -2.909 1.00 34.12 C ATOM 356 C ARG A 22 -12.753 -8.739 -2.108 1.00 1.13 C ATOM 357 O ARG A 22 -12.148 -9.776 -2.379 1.00 63.15 O ATOM 358 CB ARG A 22 -15.029 -9.431 -2.883 1.00 61.43 C ATOM 359 CG ARG A 22 -16.428 -8.961 -3.245 1.00 61.34 C ATOM 360 CD ARG A 22 -17.109 -8.278 -2.071 1.00 5.24 C ATOM 361 NE ARG A 22 -18.415 -7.737 -2.433 1.00 74.23 N ATOM 362 CZ ARG A 22 -19.244 -7.171 -1.562 1.00 62.41 C ATOM 363 NH1 ARG A 22 -18.904 -7.073 -0.285 1.00 23.15 N ATOM 364 NH2 ARG A 22 -20.417 -6.702 -1.969 1.00 24.22 N ATOM 0 H ARG A 22 -14.047 -8.599 -4.985 1.00 65.14 H new ATOM 0 HA ARG A 22 -14.401 -7.422 -2.451 1.00 34.12 H new ATOM 0 HB2 ARG A 22 -14.728 -10.217 -3.576 1.00 61.43 H new ATOM 0 HB3 ARG A 22 -15.050 -9.875 -1.888 1.00 61.43 H new ATOM 0 HG2 ARG A 22 -16.374 -8.271 -4.087 1.00 61.34 H new ATOM 0 HG3 ARG A 22 -17.026 -9.813 -3.568 1.00 61.34 H new ATOM 0 HD2 ARG A 22 -17.226 -8.991 -1.255 1.00 5.24 H new ATOM 0 HD3 ARG A 22 -16.473 -7.473 -1.702 1.00 5.24 H new ATOM 0 HE ARG A 22 -18.708 -7.797 -3.408 1.00 74.23 H new ATOM 0 HH11 ARG A 22 -18.004 -7.433 0.032 1.00 23.15 H new ATOM 0 HH12 ARG A 22 -19.543 -6.638 0.381 1.00 23.15 H new ATOM 0 HH21 ARG A 22 -20.683 -6.776 -2.951 1.00 24.22 H new ATOM 0 HH22 ARG A 22 -21.053 -6.268 -1.300 1.00 24.22 H new ATOM 378 N CYS A 23 -12.391 -7.929 -1.119 1.00 45.24 N ATOM 379 CA CYS A 23 -11.236 -8.217 -0.279 1.00 2.50 C ATOM 380 C CYS A 23 -11.058 -9.721 -0.094 1.00 52.30 C ATOM 381 O CYS A 23 -9.939 -10.234 -0.125 1.00 61.23 O ATOM 382 CB CYS A 23 -11.388 -7.539 1.085 1.00 52.03 C ATOM 383 SG CYS A 23 -11.722 -5.750 0.992 1.00 74.11 S ATOM 0 H CYS A 23 -12.882 -7.067 -0.880 1.00 45.24 H new ATOM 0 HA CYS A 23 -10.350 -7.823 -0.777 1.00 2.50 H new ATOM 0 HB2 CYS A 23 -12.199 -8.021 1.630 1.00 52.03 H new ATOM 0 HB3 CYS A 23 -10.477 -7.698 1.662 1.00 52.03 H new ATOM 388 N THR A 24 -12.170 -10.422 0.099 1.00 21.41 N ATOM 389 CA THR A 24 -12.139 -11.868 0.289 1.00 1.45 C ATOM 390 C THR A 24 -11.258 -12.541 -0.756 1.00 10.22 C ATOM 391 O THR A 24 -10.328 -13.274 -0.418 1.00 60.20 O ATOM 392 CB THR A 24 -13.554 -12.474 0.220 1.00 63.24 C ATOM 393 OG1 THR A 24 -14.239 -12.262 1.459 1.00 62.12 O ATOM 394 CG2 THR A 24 -13.489 -13.963 -0.082 1.00 22.30 C ATOM 0 H THR A 24 -13.104 -10.013 0.128 1.00 21.41 H new ATOM 0 HA THR A 24 -11.723 -12.048 1.280 1.00 1.45 H new ATOM 0 HB THR A 24 -14.099 -11.979 -0.584 1.00 63.24 H new ATOM 0 HG1 THR A 24 -15.138 -12.649 1.406 1.00 62.12 H new ATOM 0 HG21 THR A 24 -14.499 -14.370 -0.126 1.00 22.30 H new ATOM 0 HG22 THR A 24 -12.993 -14.119 -1.040 1.00 22.30 H new ATOM 0 HG23 THR A 24 -12.928 -14.469 0.703 1.00 22.30 H new ATOM 402 N ILE A 25 -11.555 -12.288 -2.026 1.00 74.23 N ATOM 403 CA ILE A 25 -10.788 -12.869 -3.121 1.00 11.40 C ATOM 404 C ILE A 25 -9.621 -11.969 -3.512 1.00 1.10 C ATOM 405 O ILE A 25 -8.506 -12.441 -3.733 1.00 23.55 O ATOM 406 CB ILE A 25 -11.670 -13.114 -4.359 1.00 44.42 C ATOM 407 CG1 ILE A 25 -13.061 -13.590 -3.936 1.00 2.24 C ATOM 408 CG2 ILE A 25 -11.015 -14.130 -5.283 1.00 62.01 C ATOM 409 CD1 ILE A 25 -14.083 -13.539 -5.049 1.00 65.01 C ATOM 0 H ILE A 25 -12.322 -11.684 -2.322 1.00 74.23 H new ATOM 0 HA ILE A 25 -10.404 -13.825 -2.765 1.00 11.40 H new ATOM 0 HB ILE A 25 -11.778 -12.175 -4.901 1.00 44.42 H new ATOM 0 HG12 ILE A 25 -12.989 -14.613 -3.567 1.00 2.24 H new ATOM 0 HG13 ILE A 25 -13.409 -12.975 -3.106 1.00 2.24 H new ATOM 0 HG21 ILE A 25 -11.650 -14.293 -6.154 1.00 62.01 H new ATOM 0 HG22 ILE A 25 -10.044 -13.754 -5.607 1.00 62.01 H new ATOM 0 HG23 ILE A 25 -10.880 -15.072 -4.751 1.00 62.01 H new ATOM 0 HD11 ILE A 25 -15.045 -13.891 -4.676 1.00 65.01 H new ATOM 0 HD12 ILE A 25 -14.184 -12.513 -5.403 1.00 65.01 H new ATOM 0 HD13 ILE A 25 -13.758 -14.176 -5.871 1.00 65.01 H new ATOM 421 N ALA A 26 -9.884 -10.669 -3.595 1.00 30.05 N ATOM 422 CA ALA A 26 -8.855 -9.702 -3.955 1.00 24.12 C ATOM 423 C ALA A 26 -7.555 -9.979 -3.207 1.00 51.33 C ATOM 424 O ALA A 26 -6.481 -9.556 -3.633 1.00 21.32 O ATOM 425 CB ALA A 26 -9.338 -8.288 -3.672 1.00 52.31 C ATOM 0 H ALA A 26 -10.802 -10.261 -3.418 1.00 30.05 H new ATOM 0 HA ALA A 26 -8.657 -9.800 -5.022 1.00 24.12 H new ATOM 0 HB1 ALA A 26 -8.559 -7.576 -3.946 1.00 52.31 H new ATOM 0 HB2 ALA A 26 -10.236 -8.086 -4.256 1.00 52.31 H new ATOM 0 HB3 ALA A 26 -9.566 -8.187 -2.611 1.00 52.31 H new ATOM 431 N MET A 27 -7.661 -10.690 -2.089 1.00 33.55 N ATOM 432 CA MET A 27 -6.493 -11.024 -1.282 1.00 14.00 C ATOM 433 C MET A 27 -5.957 -12.405 -1.646 1.00 30.12 C ATOM 434 O MET A 27 -5.346 -13.082 -0.819 1.00 74.01 O ATOM 435 CB MET A 27 -6.844 -10.976 0.205 1.00 1.53 C ATOM 436 CG MET A 27 -7.675 -12.161 0.673 1.00 41.45 C ATOM 437 SD MET A 27 -7.495 -12.481 2.438 1.00 14.13 S ATOM 438 CE MET A 27 -9.119 -12.016 3.034 1.00 71.41 C ATOM 0 H MET A 27 -8.543 -11.046 -1.721 1.00 33.55 H new ATOM 0 HA MET A 27 -5.717 -10.287 -1.489 1.00 14.00 H new ATOM 0 HB2 MET A 27 -5.923 -10.937 0.786 1.00 1.53 H new ATOM 0 HB3 MET A 27 -7.390 -10.056 0.411 1.00 1.53 H new ATOM 0 HG2 MET A 27 -8.725 -11.976 0.446 1.00 41.45 H new ATOM 0 HG3 MET A 27 -7.380 -13.050 0.115 1.00 41.45 H new ATOM 0 HE1 MET A 27 -9.028 -11.563 4.021 1.00 71.41 H new ATOM 0 HE2 MET A 27 -9.568 -11.300 2.346 1.00 71.41 H new ATOM 0 HE3 MET A 27 -9.751 -12.902 3.098 1.00 71.41 H new ATOM 448 N ARG A 28 -6.191 -12.817 -2.888 1.00 12.31 N ATOM 449 CA ARG A 28 -5.733 -14.118 -3.360 1.00 64.31 C ATOM 450 C ARG A 28 -4.301 -14.034 -3.882 1.00 70.12 C ATOM 451 O ARG A 28 -3.413 -14.738 -3.401 1.00 73.05 O ATOM 452 CB ARG A 28 -6.658 -14.640 -4.461 1.00 31.23 C ATOM 453 CG ARG A 28 -6.754 -13.716 -5.664 1.00 33.31 C ATOM 454 CD ARG A 28 -7.973 -14.037 -6.515 1.00 71.24 C ATOM 455 NE ARG A 28 -7.800 -13.609 -7.901 1.00 63.43 N ATOM 456 CZ ARG A 28 -6.911 -14.145 -8.731 1.00 11.43 C ATOM 457 NH1 ARG A 28 -6.119 -15.124 -8.316 1.00 2.42 N ATOM 458 NH2 ARG A 28 -6.813 -13.701 -9.977 1.00 51.21 N ATOM 0 H ARG A 28 -6.695 -12.269 -3.585 1.00 12.31 H new ATOM 0 HA ARG A 28 -5.755 -14.810 -2.518 1.00 64.31 H new ATOM 0 HB2 ARG A 28 -6.302 -15.616 -4.791 1.00 31.23 H new ATOM 0 HB3 ARG A 28 -7.655 -14.788 -4.046 1.00 31.23 H new ATOM 0 HG2 ARG A 28 -6.807 -12.681 -5.326 1.00 33.31 H new ATOM 0 HG3 ARG A 28 -5.852 -13.809 -6.269 1.00 33.31 H new ATOM 0 HD2 ARG A 28 -8.162 -15.110 -6.488 1.00 71.24 H new ATOM 0 HD3 ARG A 28 -8.850 -13.548 -6.091 1.00 71.24 H new ATOM 0 HE ARG A 28 -8.394 -12.857 -8.251 1.00 63.43 H new ATOM 0 HH11 ARG A 28 -6.191 -15.467 -7.358 1.00 2.42 H new ATOM 0 HH12 ARG A 28 -5.437 -15.534 -8.955 1.00 2.42 H new ATOM 0 HH21 ARG A 28 -7.420 -12.947 -10.299 1.00 51.21 H new ATOM 0 HH22 ARG A 28 -6.130 -14.113 -10.613 1.00 51.21 H new ATOM 472 N ALA A 29 -4.086 -13.169 -4.868 1.00 33.53 N ATOM 473 CA ALA A 29 -2.764 -12.992 -5.453 1.00 43.21 C ATOM 474 C ALA A 29 -1.843 -12.227 -4.509 1.00 23.24 C ATOM 475 O ALA A 29 -0.634 -12.459 -4.483 1.00 1.10 O ATOM 476 CB ALA A 29 -2.869 -12.271 -6.789 1.00 32.24 C ATOM 0 H ALA A 29 -4.811 -12.580 -5.278 1.00 33.53 H new ATOM 0 HA ALA A 29 -2.333 -13.980 -5.618 1.00 43.21 H new ATOM 0 HB1 ALA A 29 -1.873 -12.146 -7.214 1.00 32.24 H new ATOM 0 HB2 ALA A 29 -3.484 -12.857 -7.472 1.00 32.24 H new ATOM 0 HB3 ALA A 29 -3.325 -11.292 -6.639 1.00 32.24 H new ATOM 482 N ILE A 30 -2.421 -11.315 -3.735 1.00 72.44 N ATOM 483 CA ILE A 30 -1.652 -10.516 -2.790 1.00 30.12 C ATOM 484 C ILE A 30 -1.079 -11.385 -1.676 1.00 11.34 C ATOM 485 O ILE A 30 0.126 -11.628 -1.622 1.00 20.32 O ATOM 486 CB ILE A 30 -2.511 -9.401 -2.165 1.00 53.30 C ATOM 487 CG1 ILE A 30 -2.622 -8.214 -3.124 1.00 42.42 C ATOM 488 CG2 ILE A 30 -1.920 -8.960 -0.834 1.00 35.00 C ATOM 489 CD1 ILE A 30 -3.706 -8.377 -4.165 1.00 73.54 C ATOM 0 H ILE A 30 -3.420 -11.111 -3.744 1.00 72.44 H new ATOM 0 HA ILE A 30 -0.835 -10.062 -3.351 1.00 30.12 H new ATOM 0 HB ILE A 30 -3.512 -9.792 -1.984 1.00 53.30 H new ATOM 0 HG12 ILE A 30 -2.816 -7.309 -2.548 1.00 42.42 H new ATOM 0 HG13 ILE A 30 -1.665 -8.073 -3.627 1.00 42.42 H new ATOM 0 HG21 ILE A 30 -2.538 -8.172 -0.405 1.00 35.00 H new ATOM 0 HG22 ILE A 30 -1.888 -9.809 -0.151 1.00 35.00 H new ATOM 0 HG23 ILE A 30 -0.909 -8.583 -0.992 1.00 35.00 H new ATOM 0 HD11 ILE A 30 -3.727 -7.498 -4.809 1.00 73.54 H new ATOM 0 HD12 ILE A 30 -3.503 -9.263 -4.766 1.00 73.54 H new ATOM 0 HD13 ILE A 30 -4.671 -8.487 -3.671 1.00 73.54 H new ATOM 501 N ASN A 31 -1.951 -11.852 -0.788 1.00 61.23 N ATOM 502 CA ASN A 31 -1.532 -12.696 0.325 1.00 74.21 C ATOM 503 C ASN A 31 -0.599 -13.805 -0.154 1.00 12.25 C ATOM 504 O ASN A 31 0.119 -14.411 0.639 1.00 34.02 O ATOM 505 CB ASN A 31 -2.752 -13.305 1.018 1.00 13.13 C ATOM 506 CG ASN A 31 -3.271 -12.433 2.146 1.00 72.43 C ATOM 507 OD1 ASN A 31 -3.081 -12.743 3.322 1.00 54.00 O ATOM 508 ND2 ASN A 31 -3.931 -11.337 1.791 1.00 43.03 N ATOM 0 H ASN A 31 -2.952 -11.660 -0.818 1.00 61.23 H new ATOM 0 HA ASN A 31 -0.991 -12.073 1.037 1.00 74.21 H new ATOM 0 HB2 ASN A 31 -3.545 -13.457 0.285 1.00 13.13 H new ATOM 0 HB3 ASN A 31 -2.490 -14.287 1.412 1.00 13.13 H new ATOM 0 HD21 ASN A 31 -4.304 -10.712 2.506 1.00 43.03 H new ATOM 0 HD22 ASN A 31 -4.065 -11.120 0.803 1.00 43.03 H new ATOM 515 N ASN A 32 -0.616 -14.063 -1.457 1.00 74.31 N ATOM 516 CA ASN A 32 0.228 -15.098 -2.043 1.00 75.52 C ATOM 517 C ASN A 32 1.691 -14.882 -1.671 1.00 2.11 C ATOM 518 O ASN A 32 2.522 -15.776 -1.831 1.00 35.25 O ATOM 519 CB ASN A 32 0.073 -15.111 -3.565 1.00 74.21 C ATOM 520 CG ASN A 32 0.448 -16.449 -4.173 1.00 44.42 C ATOM 521 OD1 ASN A 32 0.606 -17.443 -3.464 1.00 52.03 O ATOM 522 ND2 ASN A 32 0.595 -16.479 -5.492 1.00 50.21 N ATOM 0 H ASN A 32 -1.205 -13.570 -2.128 1.00 74.31 H new ATOM 0 HA ASN A 32 -0.091 -16.061 -1.644 1.00 75.52 H new ATOM 0 HB2 ASN A 32 -0.959 -14.873 -3.824 1.00 74.21 H new ATOM 0 HB3 ASN A 32 0.698 -14.330 -3.998 1.00 74.21 H new ATOM 0 HD21 ASN A 32 0.849 -17.351 -5.957 1.00 50.21 H new ATOM 0 HD22 ASN A 32 0.454 -15.631 -6.040 1.00 50.21 H new ATOM 529 N TYR A 33 1.999 -13.688 -1.174 1.00 23.43 N ATOM 530 CA TYR A 33 3.362 -13.354 -0.781 1.00 51.34 C ATOM 531 C TYR A 33 3.697 -13.947 0.584 1.00 64.23 C ATOM 532 O TYR A 33 4.861 -14.205 0.892 1.00 24.15 O ATOM 533 CB TYR A 33 3.548 -11.836 -0.749 1.00 53.55 C ATOM 534 CG TYR A 33 2.991 -11.184 0.497 1.00 61.13 C ATOM 535 CD1 TYR A 33 3.603 -11.361 1.730 1.00 3.24 C ATOM 536 CD2 TYR A 33 1.852 -10.389 0.438 1.00 22.24 C ATOM 537 CE1 TYR A 33 3.097 -10.769 2.871 1.00 52.44 C ATOM 538 CE2 TYR A 33 1.340 -9.792 1.573 1.00 50.31 C ATOM 539 CZ TYR A 33 1.965 -9.985 2.787 1.00 40.41 C ATOM 540 OH TYR A 33 1.459 -9.391 3.921 1.00 50.45 O ATOM 0 H TYR A 33 1.323 -12.937 -1.034 1.00 23.43 H new ATOM 0 HA TYR A 33 4.041 -13.782 -1.519 1.00 51.34 H new ATOM 0 HB2 TYR A 33 4.611 -11.607 -0.825 1.00 53.55 H new ATOM 0 HB3 TYR A 33 3.065 -11.401 -1.624 1.00 53.55 H new ATOM 0 HD1 TYR A 33 4.491 -11.972 1.799 1.00 3.24 H new ATOM 0 HD2 TYR A 33 1.360 -10.236 -0.511 1.00 22.24 H new ATOM 0 HE1 TYR A 33 3.585 -10.919 3.823 1.00 52.44 H new ATOM 0 HE2 TYR A 33 0.454 -9.177 1.510 1.00 50.31 H new ATOM 0 HH TYR A 33 0.660 -8.872 3.690 1.00 50.45 H new ATOM 550 N ARG A 34 2.668 -14.161 1.397 1.00 4.22 N ATOM 551 CA ARG A 34 2.852 -14.723 2.730 1.00 65.44 C ATOM 552 C ARG A 34 1.885 -15.880 2.970 1.00 4.30 C ATOM 553 O ARG A 34 1.110 -16.247 2.087 1.00 54.30 O ATOM 554 CB ARG A 34 2.648 -13.644 3.795 1.00 34.22 C ATOM 555 CG ARG A 34 1.305 -12.938 3.697 1.00 71.51 C ATOM 556 CD ARG A 34 1.018 -12.112 4.941 1.00 60.42 C ATOM 557 NE ARG A 34 2.234 -11.533 5.506 1.00 54.01 N ATOM 558 CZ ARG A 34 2.246 -10.439 6.259 1.00 74.13 C ATOM 559 NH1 ARG A 34 1.112 -9.808 6.536 1.00 61.12 N ATOM 560 NH2 ARG A 34 3.392 -9.972 6.736 1.00 25.44 N ATOM 0 H ARG A 34 1.699 -13.954 1.156 1.00 4.22 H new ATOM 0 HA ARG A 34 3.871 -15.103 2.799 1.00 65.44 H new ATOM 0 HB2 ARG A 34 2.739 -14.098 4.782 1.00 34.22 H new ATOM 0 HB3 ARG A 34 3.445 -12.905 3.709 1.00 34.22 H new ATOM 0 HG2 ARG A 34 1.296 -12.291 2.819 1.00 71.51 H new ATOM 0 HG3 ARG A 34 0.514 -13.675 3.558 1.00 71.51 H new ATOM 0 HD2 ARG A 34 0.318 -11.314 4.693 1.00 60.42 H new ATOM 0 HD3 ARG A 34 0.534 -12.740 5.689 1.00 60.42 H new ATOM 0 HE ARG A 34 3.123 -11.994 5.312 1.00 54.01 H new ATOM 0 HH11 ARG A 34 0.228 -10.163 6.170 1.00 61.12 H new ATOM 0 HH12 ARG A 34 1.124 -8.968 7.115 1.00 61.12 H new ATOM 0 HH21 ARG A 34 4.266 -10.453 6.525 1.00 25.44 H new ATOM 0 HH22 ARG A 34 3.399 -9.132 7.314 1.00 25.44 H new ATOM 574 N TRP A 35 1.939 -16.448 4.168 1.00 32.45 N ATOM 575 CA TRP A 35 1.068 -17.563 4.524 1.00 34.54 C ATOM 576 C TRP A 35 0.052 -17.146 5.581 1.00 53.52 C ATOM 577 O TRP A 35 -0.557 -17.989 6.239 1.00 71.53 O ATOM 578 CB TRP A 35 1.898 -18.742 5.035 1.00 21.35 C ATOM 579 CG TRP A 35 2.321 -19.686 3.950 1.00 54.22 C ATOM 580 CD1 TRP A 35 3.465 -19.619 3.207 1.00 34.31 C ATOM 581 CD2 TRP A 35 1.604 -20.834 3.485 1.00 23.42 C ATOM 582 NE1 TRP A 35 3.502 -20.658 2.308 1.00 63.44 N ATOM 583 CE2 TRP A 35 2.373 -21.418 2.460 1.00 63.31 C ATOM 584 CE3 TRP A 35 0.390 -21.429 3.838 1.00 53.43 C ATOM 585 CZ2 TRP A 35 1.964 -22.566 1.783 1.00 15.33 C ATOM 586 CZ3 TRP A 35 -0.015 -22.566 3.166 1.00 33.30 C ATOM 587 CH2 TRP A 35 0.770 -23.125 2.149 1.00 2.14 C ATOM 0 H TRP A 35 2.576 -16.156 4.909 1.00 32.45 H new ATOM 0 HA TRP A 35 0.527 -17.868 3.628 1.00 34.54 H new ATOM 0 HB2 TRP A 35 2.785 -18.360 5.541 1.00 21.35 H new ATOM 0 HB3 TRP A 35 1.318 -19.290 5.778 1.00 21.35 H new ATOM 0 HD1 TRP A 35 4.228 -18.862 3.311 1.00 34.31 H new ATOM 0 HE1 TRP A 35 4.249 -20.834 1.636 1.00 63.44 H new ATOM 0 HE3 TRP A 35 -0.221 -21.007 4.622 1.00 53.43 H new ATOM 0 HZ2 TRP A 35 2.567 -22.998 0.998 1.00 15.33 H new ATOM 0 HZ3 TRP A 35 -0.953 -23.032 3.429 1.00 33.30 H new ATOM 0 HH2 TRP A 35 0.426 -24.015 1.644 1.00 2.14 H new ATOM 598 N ARG A 36 -0.127 -15.838 5.738 1.00 21.15 N ATOM 599 CA ARG A 36 -1.069 -15.308 6.717 1.00 32.04 C ATOM 600 C ARG A 36 -1.848 -14.129 6.140 1.00 25.53 C ATOM 601 O ARG A 36 -1.631 -13.730 4.996 1.00 53.04 O ATOM 602 CB ARG A 36 -0.331 -14.874 7.984 1.00 4.20 C ATOM 603 CG ARG A 36 0.938 -14.082 7.709 1.00 31.33 C ATOM 604 CD ARG A 36 1.973 -14.293 8.802 1.00 1.23 C ATOM 605 NE ARG A 36 3.291 -13.804 8.409 1.00 65.24 N ATOM 606 CZ ARG A 36 4.332 -13.751 9.233 1.00 1.22 C ATOM 607 NH1 ARG A 36 4.208 -14.154 10.490 1.00 33.51 N ATOM 608 NH2 ARG A 36 5.500 -13.293 8.800 1.00 31.21 N ATOM 0 H ARG A 36 0.368 -15.126 5.200 1.00 21.15 H new ATOM 0 HA ARG A 36 -1.775 -16.099 6.969 1.00 32.04 H new ATOM 0 HB2 ARG A 36 -1.001 -14.270 8.596 1.00 4.20 H new ATOM 0 HB3 ARG A 36 -0.078 -15.759 8.568 1.00 4.20 H new ATOM 0 HG2 ARG A 36 1.355 -14.383 6.748 1.00 31.33 H new ATOM 0 HG3 ARG A 36 0.697 -13.022 7.634 1.00 31.33 H new ATOM 0 HD2 ARG A 36 1.652 -13.781 9.709 1.00 1.23 H new ATOM 0 HD3 ARG A 36 2.037 -15.355 9.041 1.00 1.23 H new ATOM 0 HE ARG A 36 3.420 -13.485 7.449 1.00 65.24 H new ATOM 0 HH11 ARG A 36 3.312 -14.506 10.827 1.00 33.51 H new ATOM 0 HH12 ARG A 36 5.009 -14.112 11.120 1.00 33.51 H new ATOM 0 HH21 ARG A 36 5.599 -12.981 7.834 1.00 31.21 H new ATOM 0 HH22 ARG A 36 6.299 -13.253 9.433 1.00 31.21 H new ATOM 622 N CYS A 37 -2.755 -13.578 6.939 1.00 31.40 N ATOM 623 CA CYS A 37 -3.567 -12.446 6.508 1.00 24.32 C ATOM 624 C CYS A 37 -3.102 -11.157 7.180 1.00 22.43 C ATOM 625 O CYS A 37 -2.792 -11.141 8.371 1.00 64.12 O ATOM 626 CB CYS A 37 -5.042 -12.698 6.829 1.00 64.34 C ATOM 627 SG CYS A 37 -5.779 -14.077 5.894 1.00 34.33 S ATOM 0 H CYS A 37 -2.946 -13.897 7.889 1.00 31.40 H new ATOM 0 HA CYS A 37 -3.450 -12.336 5.430 1.00 24.32 H new ATOM 0 HB2 CYS A 37 -5.142 -12.901 7.895 1.00 64.34 H new ATOM 0 HB3 CYS A 37 -5.608 -11.790 6.624 1.00 64.34 H new ATOM 632 N LYS A 38 -3.059 -10.077 6.408 1.00 51.45 N ATOM 633 CA LYS A 38 -2.634 -8.782 6.925 1.00 21.10 C ATOM 634 C LYS A 38 -3.686 -8.201 7.866 1.00 72.24 C ATOM 635 O LYS A 38 -4.824 -7.960 7.465 1.00 1.02 O ATOM 636 CB LYS A 38 -2.372 -7.809 5.773 1.00 22.24 C ATOM 637 CG LYS A 38 -1.176 -6.902 6.004 1.00 61.01 C ATOM 638 CD LYS A 38 -1.201 -6.288 7.394 1.00 71.13 C ATOM 639 CE LYS A 38 0.173 -5.783 7.804 1.00 45.14 C ATOM 640 NZ LYS A 38 0.609 -4.624 6.976 1.00 33.32 N ATOM 0 H LYS A 38 -3.314 -10.073 5.420 1.00 51.45 H new ATOM 0 HA LYS A 38 -1.710 -8.928 7.485 1.00 21.10 H new ATOM 0 HB2 LYS A 38 -2.215 -8.378 4.857 1.00 22.24 H new ATOM 0 HB3 LYS A 38 -3.259 -7.195 5.618 1.00 22.24 H new ATOM 0 HG2 LYS A 38 -0.256 -7.472 5.874 1.00 61.01 H new ATOM 0 HG3 LYS A 38 -1.169 -6.110 5.255 1.00 61.01 H new ATOM 0 HD2 LYS A 38 -1.914 -5.464 7.416 1.00 71.13 H new ATOM 0 HD3 LYS A 38 -1.547 -7.029 8.114 1.00 71.13 H new ATOM 0 HE2 LYS A 38 0.154 -5.492 8.854 1.00 45.14 H new ATOM 0 HE3 LYS A 38 0.899 -6.590 7.710 1.00 45.14 H new ATOM 0 HZ1 LYS A 38 1.550 -4.310 7.287 1.00 33.32 H new ATOM 0 HZ2 LYS A 38 0.652 -4.908 5.976 1.00 33.32 H new ATOM 0 HZ3 LYS A 38 -0.070 -3.844 7.086 1.00 33.32 H new ATOM 654 N ASN A 39 -3.296 -7.976 9.116 1.00 22.02 N ATOM 655 CA ASN A 39 -4.206 -7.423 10.113 1.00 43.12 C ATOM 656 C ASN A 39 -5.024 -6.277 9.525 1.00 22.12 C ATOM 657 O ASN A 39 -6.193 -6.098 9.865 1.00 31.02 O ATOM 658 CB ASN A 39 -3.421 -6.932 11.332 1.00 74.53 C ATOM 659 CG ASN A 39 -4.300 -6.198 12.326 1.00 54.33 C ATOM 660 OD1 ASN A 39 -4.532 -4.914 12.076 1.00 12.03 O flip ATOM 661 ND2 ASN A 39 -4.765 -6.778 13.307 1.00 5.23 N flip ATOM 0 H ASN A 39 -2.356 -8.168 9.463 1.00 22.02 H new ATOM 0 HA ASN A 39 -4.890 -8.212 10.424 1.00 43.12 H new ATOM 0 HB2 ASN A 39 -2.951 -7.783 11.825 1.00 74.53 H new ATOM 0 HB3 ASN A 39 -2.619 -6.271 11.003 1.00 74.53 H new ATOM 0 HD21 ASN A 39 -4.561 -7.766 13.460 1.00 5.23 H new ATOM 0 HD22 ASN A 39 -5.355 -6.271 13.967 1.00 5.23 H new ATOM 668 N GLN A 40 -4.401 -5.504 8.641 1.00 21.11 N ATOM 669 CA GLN A 40 -5.071 -4.376 8.006 1.00 31.12 C ATOM 670 C GLN A 40 -4.249 -3.842 6.838 1.00 73.20 C ATOM 671 O GLN A 40 -3.040 -3.650 6.953 1.00 43.04 O ATOM 672 CB GLN A 40 -5.315 -3.262 9.025 1.00 12.11 C ATOM 673 CG GLN A 40 -6.650 -2.558 8.849 1.00 55.01 C ATOM 674 CD GLN A 40 -6.606 -1.104 9.280 1.00 21.41 C ATOM 675 OE1 GLN A 40 -5.621 -0.648 9.860 1.00 50.42 O ATOM 676 NE2 GLN A 40 -7.675 -0.369 8.998 1.00 65.33 N ATOM 0 H GLN A 40 -3.433 -5.639 8.349 1.00 21.11 H new ATOM 0 HA GLN A 40 -6.030 -4.724 7.622 1.00 31.12 H new ATOM 0 HB2 GLN A 40 -5.265 -3.683 10.029 1.00 12.11 H new ATOM 0 HB3 GLN A 40 -4.513 -2.528 8.947 1.00 12.11 H new ATOM 0 HG2 GLN A 40 -6.950 -2.614 7.803 1.00 55.01 H new ATOM 0 HG3 GLN A 40 -7.411 -3.081 9.427 1.00 55.01 H new ATOM 0 HE21 GLN A 40 -8.470 -0.789 8.515 1.00 65.33 H new ATOM 0 HE22 GLN A 40 -7.702 0.615 9.264 1.00 65.33 H new ATOM 685 N ASN A 41 -4.916 -3.603 5.712 1.00 61.11 N ATOM 686 CA ASN A 41 -4.246 -3.092 4.522 1.00 33.12 C ATOM 687 C ASN A 41 -5.103 -2.035 3.829 1.00 45.14 C ATOM 688 O ASN A 41 -6.328 -2.140 3.790 1.00 34.32 O ATOM 689 CB ASN A 41 -3.943 -4.235 3.551 1.00 52.44 C ATOM 690 CG ASN A 41 -2.687 -3.985 2.739 1.00 4.21 C ATOM 691 OD1 ASN A 41 -2.651 -2.860 2.034 1.00 15.35 O flip ATOM 692 ND2 ASN A 41 -1.758 -4.795 2.745 1.00 31.24 N flip ATOM 0 H ASN A 41 -5.918 -3.755 5.600 1.00 61.11 H new ATOM 0 HA ASN A 41 -3.309 -2.630 4.832 1.00 33.12 H new ATOM 0 HB2 ASN A 41 -3.832 -5.164 4.111 1.00 52.44 H new ATOM 0 HB3 ASN A 41 -4.788 -4.369 2.876 1.00 52.44 H new ATOM 0 HD21 ASN A 41 -1.828 -5.647 3.301 1.00 31.24 H new ATOM 0 HD22 ASN A 41 -0.919 -4.613 2.194 1.00 31.24 H new ATOM 699 N THR A 42 -4.447 -1.017 3.281 1.00 3.44 N ATOM 700 CA THR A 42 -5.145 0.059 2.590 1.00 51.50 C ATOM 701 C THR A 42 -4.868 0.022 1.091 1.00 23.05 C ATOM 702 O THR A 42 -3.714 0.007 0.664 1.00 43.01 O ATOM 703 CB THR A 42 -4.738 1.439 3.141 1.00 11.31 C ATOM 704 OG1 THR A 42 -5.538 1.766 4.284 1.00 63.54 O ATOM 705 CG2 THR A 42 -4.899 2.515 2.079 1.00 14.31 C ATOM 0 H THR A 42 -3.432 -0.916 3.303 1.00 3.44 H new ATOM 0 HA THR A 42 -6.210 -0.094 2.764 1.00 51.50 H new ATOM 0 HB THR A 42 -3.689 1.394 3.433 1.00 11.31 H new ATOM 0 HG1 THR A 42 -5.507 1.027 4.927 1.00 63.54 H new ATOM 0 HG21 THR A 42 -4.606 3.480 2.492 1.00 14.31 H new ATOM 0 HG22 THR A 42 -4.267 2.279 1.223 1.00 14.31 H new ATOM 0 HG23 THR A 42 -5.940 2.558 1.760 1.00 14.31 H new ATOM 713 N PHE A 43 -5.934 0.006 0.297 1.00 3.54 N ATOM 714 CA PHE A 43 -5.804 -0.029 -1.155 1.00 20.31 C ATOM 715 C PHE A 43 -6.227 1.300 -1.771 1.00 72.31 C ATOM 716 O PHE A 43 -7.418 1.599 -1.874 1.00 44.02 O ATOM 717 CB PHE A 43 -6.649 -1.165 -1.735 1.00 31.43 C ATOM 718 CG PHE A 43 -6.433 -2.484 -1.049 1.00 5.10 C ATOM 719 CD1 PHE A 43 -5.311 -2.696 -0.263 1.00 4.33 C ATOM 720 CD2 PHE A 43 -7.350 -3.513 -1.189 1.00 75.43 C ATOM 721 CE1 PHE A 43 -5.109 -3.908 0.371 1.00 55.23 C ATOM 722 CE2 PHE A 43 -7.154 -4.726 -0.559 1.00 2.25 C ATOM 723 CZ PHE A 43 -6.032 -4.925 0.221 1.00 62.02 C ATOM 0 H PHE A 43 -6.897 0.017 0.634 1.00 3.54 H new ATOM 0 HA PHE A 43 -4.756 -0.204 -1.398 1.00 20.31 H new ATOM 0 HB2 PHE A 43 -7.703 -0.896 -1.664 1.00 31.43 H new ATOM 0 HB3 PHE A 43 -6.419 -1.274 -2.795 1.00 31.43 H new ATOM 0 HD1 PHE A 43 -4.586 -1.905 -0.144 1.00 4.33 H new ATOM 0 HD2 PHE A 43 -8.229 -3.365 -1.798 1.00 75.43 H new ATOM 0 HE1 PHE A 43 -4.232 -4.059 0.982 1.00 55.23 H new ATOM 0 HE2 PHE A 43 -7.878 -5.519 -0.676 1.00 2.25 H new ATOM 0 HZ PHE A 43 -5.876 -5.874 0.713 1.00 62.02 H new ATOM 733 N LEU A 44 -5.245 2.094 -2.181 1.00 54.54 N ATOM 734 CA LEU A 44 -5.514 3.393 -2.788 1.00 42.53 C ATOM 735 C LEU A 44 -5.663 3.267 -4.301 1.00 4.23 C ATOM 736 O LEU A 44 -4.726 2.872 -4.996 1.00 73.23 O ATOM 737 CB LEU A 44 -4.390 4.376 -2.456 1.00 11.22 C ATOM 738 CG LEU A 44 -3.018 3.760 -2.181 1.00 23.44 C ATOM 739 CD1 LEU A 44 -1.910 4.725 -2.575 1.00 30.05 C ATOM 740 CD2 LEU A 44 -2.892 3.370 -0.715 1.00 32.11 C ATOM 0 H LEU A 44 -4.255 1.861 -2.104 1.00 54.54 H new ATOM 0 HA LEU A 44 -6.451 3.770 -2.379 1.00 42.53 H new ATOM 0 HB2 LEU A 44 -4.291 5.077 -3.285 1.00 11.22 H new ATOM 0 HB3 LEU A 44 -4.688 4.955 -1.582 1.00 11.22 H new ATOM 0 HG LEU A 44 -2.918 2.859 -2.786 1.00 23.44 H new ATOM 0 HD11 LEU A 44 -0.941 4.269 -2.372 1.00 30.05 H new ATOM 0 HD12 LEU A 44 -1.988 4.954 -3.638 1.00 30.05 H new ATOM 0 HD13 LEU A 44 -2.006 5.645 -1.998 1.00 30.05 H new ATOM 0 HD21 LEU A 44 -1.909 2.933 -0.538 1.00 32.11 H new ATOM 0 HD22 LEU A 44 -3.013 4.256 -0.091 1.00 32.11 H new ATOM 0 HD23 LEU A 44 -3.663 2.641 -0.465 1.00 32.11 H new ATOM 752 N ARG A 45 -6.845 3.607 -4.805 1.00 11.33 N ATOM 753 CA ARG A 45 -7.116 3.534 -6.235 1.00 22.54 C ATOM 754 C ARG A 45 -6.262 4.537 -7.004 1.00 1.33 C ATOM 755 O ARG A 45 -6.740 5.599 -7.404 1.00 25.21 O ATOM 756 CB ARG A 45 -8.598 3.794 -6.509 1.00 13.43 C ATOM 757 CG ARG A 45 -9.533 2.918 -5.690 1.00 63.31 C ATOM 758 CD ARG A 45 -10.946 3.479 -5.668 1.00 60.43 C ATOM 759 NE ARG A 45 -11.613 3.333 -6.960 1.00 51.22 N ATOM 760 CZ ARG A 45 -12.856 3.738 -7.194 1.00 62.32 C ATOM 761 NH1 ARG A 45 -13.564 4.309 -6.229 1.00 73.34 N ATOM 762 NH2 ARG A 45 -13.393 3.571 -8.396 1.00 71.04 N ATOM 0 H ARG A 45 -7.630 3.936 -4.243 1.00 11.33 H new ATOM 0 HA ARG A 45 -6.861 2.531 -6.576 1.00 22.54 H new ATOM 0 HB2 ARG A 45 -8.819 4.841 -6.300 1.00 13.43 H new ATOM 0 HB3 ARG A 45 -8.797 3.631 -7.568 1.00 13.43 H new ATOM 0 HG2 ARG A 45 -9.547 1.911 -6.106 1.00 63.31 H new ATOM 0 HG3 ARG A 45 -9.157 2.837 -4.670 1.00 63.31 H new ATOM 0 HD2 ARG A 45 -11.527 2.968 -4.900 1.00 60.43 H new ATOM 0 HD3 ARG A 45 -10.913 4.533 -5.394 1.00 60.43 H new ATOM 0 HE ARG A 45 -11.096 2.896 -7.723 1.00 51.22 H new ATOM 0 HH11 ARG A 45 -13.154 4.438 -5.304 1.00 73.34 H new ATOM 0 HH12 ARG A 45 -14.518 4.619 -6.412 1.00 73.34 H new ATOM 0 HH21 ARG A 45 -12.851 3.132 -9.140 1.00 71.04 H new ATOM 0 HH22 ARG A 45 -14.348 3.882 -8.576 1.00 71.04 H new ATOM 776 N THR A 46 -4.993 4.194 -7.205 1.00 63.14 N ATOM 777 CA THR A 46 -4.071 5.064 -7.923 1.00 55.44 C ATOM 778 C THR A 46 -2.990 4.256 -8.631 1.00 4.50 C ATOM 779 O THR A 46 -2.747 3.096 -8.297 1.00 34.04 O ATOM 780 CB THR A 46 -3.402 6.078 -6.976 1.00 2.34 C ATOM 781 OG1 THR A 46 -2.346 6.764 -7.658 1.00 42.22 O ATOM 782 CG2 THR A 46 -2.846 5.380 -5.743 1.00 40.54 C ATOM 0 H THR A 46 -4.581 3.319 -6.880 1.00 63.14 H new ATOM 0 HA THR A 46 -4.660 5.605 -8.664 1.00 55.44 H new ATOM 0 HB THR A 46 -4.156 6.798 -6.659 1.00 2.34 H new ATOM 0 HG1 THR A 46 -1.778 7.223 -7.004 1.00 42.22 H new ATOM 0 HG21 THR A 46 -2.378 6.115 -5.088 1.00 40.54 H new ATOM 0 HG22 THR A 46 -3.656 4.883 -5.210 1.00 40.54 H new ATOM 0 HG23 THR A 46 -2.105 4.641 -6.047 1.00 40.54 H new ATOM 790 N THR A 47 -2.339 4.876 -9.611 1.00 50.33 N ATOM 791 CA THR A 47 -1.284 4.214 -10.366 1.00 44.33 C ATOM 792 C THR A 47 0.085 4.480 -9.747 1.00 70.34 C ATOM 793 O THR A 47 0.338 5.562 -9.219 1.00 51.20 O ATOM 794 CB THR A 47 -1.269 4.677 -11.835 1.00 4.33 C ATOM 795 OG1 THR A 47 -1.810 5.999 -11.938 1.00 45.52 O ATOM 796 CG2 THR A 47 -2.070 3.726 -12.710 1.00 53.31 C ATOM 0 H THR A 47 -2.525 5.836 -9.900 1.00 50.33 H new ATOM 0 HA THR A 47 -1.494 3.145 -10.332 1.00 44.33 H new ATOM 0 HB THR A 47 -0.235 4.680 -12.181 1.00 4.33 H new ATOM 0 HG1 THR A 47 -1.377 6.582 -11.280 1.00 45.52 H new ATOM 0 HG21 THR A 47 -2.045 4.074 -13.743 1.00 53.31 H new ATOM 0 HG22 THR A 47 -1.637 2.727 -12.653 1.00 53.31 H new ATOM 0 HG23 THR A 47 -3.103 3.695 -12.363 1.00 53.31 H new ATOM 804 N PHE A 48 0.963 3.486 -9.817 1.00 31.12 N ATOM 805 CA PHE A 48 2.307 3.612 -9.263 1.00 34.11 C ATOM 806 C PHE A 48 2.926 4.955 -9.639 1.00 51.02 C ATOM 807 O PHE A 48 3.678 5.543 -8.863 1.00 70.40 O ATOM 808 CB PHE A 48 3.195 2.470 -9.759 1.00 50.21 C ATOM 809 CG PHE A 48 4.200 2.008 -8.743 1.00 62.52 C ATOM 810 CD1 PHE A 48 3.802 1.664 -7.462 1.00 35.35 C ATOM 811 CD2 PHE A 48 5.543 1.916 -9.070 1.00 63.10 C ATOM 812 CE1 PHE A 48 4.724 1.238 -6.525 1.00 11.01 C ATOM 813 CE2 PHE A 48 6.471 1.490 -8.137 1.00 52.40 C ATOM 814 CZ PHE A 48 6.060 1.150 -6.863 1.00 71.00 C ATOM 0 H PHE A 48 0.769 2.584 -10.252 1.00 31.12 H new ATOM 0 HA PHE A 48 2.232 3.558 -8.177 1.00 34.11 H new ATOM 0 HB2 PHE A 48 2.565 1.628 -10.044 1.00 50.21 H new ATOM 0 HB3 PHE A 48 3.721 2.793 -10.658 1.00 50.21 H new ATOM 0 HD1 PHE A 48 2.758 1.729 -7.192 1.00 35.35 H new ATOM 0 HD2 PHE A 48 5.869 2.180 -10.065 1.00 63.10 H new ATOM 0 HE1 PHE A 48 4.400 0.974 -5.529 1.00 11.01 H new ATOM 0 HE2 PHE A 48 7.515 1.423 -8.404 1.00 52.40 H new ATOM 0 HZ PHE A 48 6.782 0.816 -6.133 1.00 71.00 H new ATOM 824 N ALA A 49 2.604 5.433 -10.836 1.00 73.33 N ATOM 825 CA ALA A 49 3.127 6.707 -11.316 1.00 21.54 C ATOM 826 C ALA A 49 2.746 7.846 -10.376 1.00 74.41 C ATOM 827 O ALA A 49 3.609 8.565 -9.876 1.00 23.41 O ATOM 828 CB ALA A 49 2.620 6.989 -12.723 1.00 20.14 C ATOM 0 H ALA A 49 1.984 4.958 -11.491 1.00 73.33 H new ATOM 0 HA ALA A 49 4.215 6.639 -11.340 1.00 21.54 H new ATOM 0 HB1 ALA A 49 3.018 7.943 -13.069 1.00 20.14 H new ATOM 0 HB2 ALA A 49 2.947 6.195 -13.394 1.00 20.14 H new ATOM 0 HB3 ALA A 49 1.531 7.032 -12.716 1.00 20.14 H new ATOM 834 N ASN A 50 1.446 8.004 -10.142 1.00 25.41 N ATOM 835 CA ASN A 50 0.951 9.057 -9.264 1.00 4.12 C ATOM 836 C ASN A 50 1.637 8.996 -7.902 1.00 31.11 C ATOM 837 O ASN A 50 2.128 10.005 -7.395 1.00 75.23 O ATOM 838 CB ASN A 50 -0.564 8.935 -9.091 1.00 12.24 C ATOM 839 CG ASN A 50 -1.318 9.225 -10.374 1.00 1.01 C ATOM 840 OD1 ASN A 50 -1.974 8.208 -10.918 1.00 10.15 O flip ATOM 841 ND2 ASN A 50 -1.309 10.352 -10.871 1.00 21.33 N flip ATOM 0 H ASN A 50 0.718 7.416 -10.548 1.00 25.41 H new ATOM 0 HA ASN A 50 1.181 10.018 -9.724 1.00 4.12 H new ATOM 0 HB2 ASN A 50 -0.808 7.929 -8.749 1.00 12.24 H new ATOM 0 HB3 ASN A 50 -0.895 9.625 -8.315 1.00 12.24 H new ATOM 0 HD21 ASN A 50 -0.791 11.105 -10.418 1.00 21.33 H new ATOM 0 HD22 ASN A 50 -1.820 10.532 -11.735 1.00 21.33 H new ATOM 848 N VAL A 51 1.666 7.804 -7.313 1.00 33.03 N ATOM 849 CA VAL A 51 2.292 7.610 -6.010 1.00 64.22 C ATOM 850 C VAL A 51 3.746 8.067 -6.027 1.00 3.24 C ATOM 851 O VAL A 51 4.218 8.705 -5.085 1.00 65.10 O ATOM 852 CB VAL A 51 2.234 6.134 -5.574 1.00 24.21 C ATOM 853 CG1 VAL A 51 3.289 5.847 -4.516 1.00 54.43 C ATOM 854 CG2 VAL A 51 0.845 5.784 -5.063 1.00 14.11 C ATOM 0 H VAL A 51 1.263 6.959 -7.718 1.00 33.03 H new ATOM 0 HA VAL A 51 1.732 8.214 -5.296 1.00 64.22 H new ATOM 0 HB VAL A 51 2.445 5.509 -6.441 1.00 24.21 H new ATOM 0 HG11 VAL A 51 3.232 4.799 -4.221 1.00 54.43 H new ATOM 0 HG12 VAL A 51 4.278 6.056 -4.923 1.00 54.43 H new ATOM 0 HG13 VAL A 51 3.113 6.479 -3.646 1.00 54.43 H new ATOM 0 HG21 VAL A 51 0.822 4.737 -4.759 1.00 14.11 H new ATOM 0 HG22 VAL A 51 0.602 6.415 -4.208 1.00 14.11 H new ATOM 0 HG23 VAL A 51 0.114 5.948 -5.855 1.00 14.11 H new ATOM 864 N VAL A 52 4.453 7.738 -7.103 1.00 35.45 N ATOM 865 CA VAL A 52 5.854 8.115 -7.244 1.00 3.53 C ATOM 866 C VAL A 52 6.029 9.626 -7.135 1.00 44.02 C ATOM 867 O VAL A 52 7.044 10.109 -6.634 1.00 21.22 O ATOM 868 CB VAL A 52 6.432 7.638 -8.588 1.00 22.52 C ATOM 869 CG1 VAL A 52 7.907 7.995 -8.693 1.00 71.42 C ATOM 870 CG2 VAL A 52 6.226 6.139 -8.754 1.00 30.20 C ATOM 0 H VAL A 52 4.078 7.210 -7.891 1.00 35.45 H new ATOM 0 HA VAL A 52 6.396 7.629 -6.432 1.00 3.53 H new ATOM 0 HB VAL A 52 5.901 8.147 -9.392 1.00 22.52 H new ATOM 0 HG11 VAL A 52 8.298 7.650 -9.650 1.00 71.42 H new ATOM 0 HG12 VAL A 52 8.026 9.076 -8.622 1.00 71.42 H new ATOM 0 HG13 VAL A 52 8.456 7.515 -7.883 1.00 71.42 H new ATOM 0 HG21 VAL A 52 6.641 5.818 -9.710 1.00 30.20 H new ATOM 0 HG22 VAL A 52 6.730 5.611 -7.944 1.00 30.20 H new ATOM 0 HG23 VAL A 52 5.160 5.913 -8.727 1.00 30.20 H new ATOM 880 N ASN A 53 5.033 10.367 -7.609 1.00 64.22 N ATOM 881 CA ASN A 53 5.077 11.824 -7.566 1.00 12.24 C ATOM 882 C ASN A 53 4.818 12.334 -6.151 1.00 32.11 C ATOM 883 O ASN A 53 5.203 13.450 -5.802 1.00 35.35 O ATOM 884 CB ASN A 53 4.046 12.415 -8.530 1.00 64.22 C ATOM 885 CG ASN A 53 3.562 13.783 -8.091 1.00 1.31 C ATOM 886 OD1 ASN A 53 4.318 14.755 -8.105 1.00 11.24 O ATOM 887 ND2 ASN A 53 2.296 13.865 -7.699 1.00 23.14 N ATOM 0 H ASN A 53 4.186 9.983 -8.027 1.00 64.22 H new ATOM 0 HA ASN A 53 6.074 12.142 -7.871 1.00 12.24 H new ATOM 0 HB2 ASN A 53 4.484 12.490 -9.525 1.00 64.22 H new ATOM 0 HB3 ASN A 53 3.195 11.739 -8.607 1.00 64.22 H new ATOM 0 HD21 ASN A 53 1.914 14.760 -7.393 1.00 23.14 H new ATOM 0 HD22 ASN A 53 1.706 13.033 -7.704 1.00 23.14 H new ATOM 894 N VAL A 54 4.163 11.509 -5.341 1.00 4.05 N ATOM 895 CA VAL A 54 3.853 11.875 -3.964 1.00 42.21 C ATOM 896 C VAL A 54 5.111 11.882 -3.102 1.00 15.11 C ATOM 897 O VAL A 54 5.172 12.565 -2.079 1.00 15.12 O ATOM 898 CB VAL A 54 2.825 10.911 -3.344 1.00 73.21 C ATOM 899 CG1 VAL A 54 2.888 10.966 -1.825 1.00 63.54 C ATOM 900 CG2 VAL A 54 1.424 11.236 -3.840 1.00 54.20 C ATOM 0 H VAL A 54 3.837 10.582 -5.615 1.00 4.05 H new ATOM 0 HA VAL A 54 3.428 12.878 -3.991 1.00 42.21 H new ATOM 0 HB VAL A 54 3.070 9.896 -3.657 1.00 73.21 H new ATOM 0 HG11 VAL A 54 2.154 10.278 -1.405 1.00 63.54 H new ATOM 0 HG12 VAL A 54 3.886 10.680 -1.492 1.00 63.54 H new ATOM 0 HG13 VAL A 54 2.669 11.979 -1.488 1.00 63.54 H new ATOM 0 HG21 VAL A 54 0.710 10.545 -3.392 1.00 54.20 H new ATOM 0 HG22 VAL A 54 1.166 12.257 -3.559 1.00 54.20 H new ATOM 0 HG23 VAL A 54 1.391 11.139 -4.925 1.00 54.20 H new ATOM 910 N CYS A 55 6.114 11.118 -3.522 1.00 53.41 N ATOM 911 CA CYS A 55 7.372 11.036 -2.789 1.00 34.14 C ATOM 912 C CYS A 55 8.317 12.159 -3.203 1.00 51.31 C ATOM 913 O CYS A 55 9.290 12.454 -2.510 1.00 62.13 O ATOM 914 CB CYS A 55 8.038 9.680 -3.028 1.00 71.31 C ATOM 915 SG CYS A 55 6.912 8.258 -2.851 1.00 1.21 S ATOM 0 H CYS A 55 6.080 10.547 -4.366 1.00 53.41 H new ATOM 0 HA CYS A 55 7.152 11.143 -1.727 1.00 34.14 H new ATOM 0 HB2 CYS A 55 8.466 9.669 -4.031 1.00 71.31 H new ATOM 0 HB3 CYS A 55 8.865 9.565 -2.327 1.00 71.31 H new ATOM 920 N GLY A 56 8.023 12.785 -4.339 1.00 60.55 N ATOM 921 CA GLY A 56 8.857 13.868 -4.827 1.00 34.11 C ATOM 922 C GLY A 56 8.462 15.210 -4.243 1.00 52.13 C ATOM 923 O GLY A 56 9.059 16.235 -4.568 1.00 40.53 O ATOM 0 H GLY A 56 7.222 12.561 -4.930 1.00 60.55 H new ATOM 0 HA2 GLY A 56 9.898 13.660 -4.581 1.00 34.11 H new ATOM 0 HA3 GLY A 56 8.789 13.914 -5.914 1.00 34.11 H new ATOM 927 N ASN A 57 7.451 15.205 -3.380 1.00 61.11 N ATOM 928 CA ASN A 57 6.977 16.432 -2.752 1.00 35.23 C ATOM 929 C ASN A 57 7.721 16.698 -1.447 1.00 35.54 C ATOM 930 O ASN A 57 8.385 15.813 -0.909 1.00 31.22 O ATOM 931 CB ASN A 57 5.472 16.344 -2.485 1.00 33.50 C ATOM 932 CG ASN A 57 4.653 16.434 -3.759 1.00 20.21 C ATOM 933 OD1 ASN A 57 5.063 17.070 -4.729 1.00 73.03 O ATOM 934 ND2 ASN A 57 3.488 15.796 -3.760 1.00 24.25 N ATOM 0 H ASN A 57 6.945 14.365 -3.100 1.00 61.11 H new ATOM 0 HA ASN A 57 7.171 17.259 -3.435 1.00 35.23 H new ATOM 0 HB2 ASN A 57 5.250 15.405 -1.979 1.00 33.50 H new ATOM 0 HB3 ASN A 57 5.178 17.147 -1.810 1.00 33.50 H new ATOM 0 HD21 ASN A 57 2.893 15.821 -4.588 1.00 24.25 H new ATOM 0 HD22 ASN A 57 3.188 15.281 -2.932 1.00 24.25 H new ATOM 941 N GLN A 58 7.602 17.923 -0.943 1.00 63.11 N ATOM 942 CA GLN A 58 8.264 18.305 0.298 1.00 50.33 C ATOM 943 C GLN A 58 8.056 17.244 1.375 1.00 63.23 C ATOM 944 O GLN A 58 6.958 17.096 1.910 1.00 62.32 O ATOM 945 CB GLN A 58 7.736 19.654 0.788 1.00 53.44 C ATOM 946 CG GLN A 58 8.426 20.158 2.045 1.00 52.05 C ATOM 947 CD GLN A 58 9.645 21.007 1.742 1.00 22.41 C ATOM 948 OE1 GLN A 58 9.562 21.996 1.013 1.00 11.01 O ATOM 949 NE2 GLN A 58 10.787 20.623 2.300 1.00 63.13 N ATOM 0 H GLN A 58 7.054 18.667 -1.375 1.00 63.11 H new ATOM 0 HA GLN A 58 9.332 18.391 0.099 1.00 50.33 H new ATOM 0 HB2 GLN A 58 7.859 20.392 -0.004 1.00 53.44 H new ATOM 0 HB3 GLN A 58 6.667 19.568 0.980 1.00 53.44 H new ATOM 0 HG2 GLN A 58 7.719 20.742 2.634 1.00 52.05 H new ATOM 0 HG3 GLN A 58 8.724 19.307 2.657 1.00 52.05 H new ATOM 0 HE21 GLN A 58 10.810 19.797 2.898 1.00 63.13 H new ATOM 0 HE22 GLN A 58 11.641 21.154 2.131 1.00 63.13 H new ATOM 958 N SER A 59 9.119 16.509 1.686 1.00 30.05 N ATOM 959 CA SER A 59 9.052 15.459 2.695 1.00 3.14 C ATOM 960 C SER A 59 8.820 16.052 4.082 1.00 33.22 C ATOM 961 O SER A 59 8.935 17.262 4.278 1.00 54.10 O ATOM 962 CB SER A 59 10.342 14.635 2.690 1.00 3.24 C ATOM 963 OG SER A 59 10.201 13.462 3.473 1.00 32.14 O ATOM 0 H SER A 59 10.036 16.621 1.254 1.00 30.05 H new ATOM 0 HA SER A 59 8.212 14.808 2.452 1.00 3.14 H new ATOM 0 HB2 SER A 59 10.600 14.364 1.666 1.00 3.24 H new ATOM 0 HB3 SER A 59 11.164 15.238 3.077 1.00 3.24 H new ATOM 0 HG SER A 59 11.038 12.952 3.452 1.00 32.14 H new ATOM 969 N ILE A 60 8.491 15.191 5.039 1.00 1.34 N ATOM 970 CA ILE A 60 8.243 15.629 6.407 1.00 31.23 C ATOM 971 C ILE A 60 8.528 14.509 7.403 1.00 71.04 C ATOM 972 O ILE A 60 8.944 13.415 7.020 1.00 35.40 O ATOM 973 CB ILE A 60 6.791 16.106 6.590 1.00 14.20 C ATOM 974 CG1 ILE A 60 5.854 15.330 5.662 1.00 24.33 C ATOM 975 CG2 ILE A 60 6.687 17.601 6.327 1.00 4.23 C ATOM 976 CD1 ILE A 60 4.388 15.551 5.960 1.00 53.33 C ATOM 0 H ILE A 60 8.390 14.187 4.892 1.00 1.34 H new ATOM 0 HA ILE A 60 8.918 16.463 6.599 1.00 31.23 H new ATOM 0 HB ILE A 60 6.490 15.916 7.620 1.00 14.20 H new ATOM 0 HG12 ILE A 60 6.055 15.621 4.631 1.00 24.33 H new ATOM 0 HG13 ILE A 60 6.076 14.266 5.742 1.00 24.33 H new ATOM 0 HG21 ILE A 60 5.654 17.923 6.460 1.00 4.23 H new ATOM 0 HG22 ILE A 60 7.328 18.139 7.026 1.00 4.23 H new ATOM 0 HG23 ILE A 60 7.004 17.814 5.306 1.00 4.23 H new ATOM 0 HD11 ILE A 60 3.784 14.970 5.263 1.00 53.33 H new ATOM 0 HD12 ILE A 60 4.172 15.233 6.980 1.00 53.33 H new ATOM 0 HD13 ILE A 60 4.150 16.609 5.852 1.00 53.33 H new ATOM 988 N ARG A 61 8.300 14.790 8.681 1.00 22.02 N ATOM 989 CA ARG A 61 8.532 13.806 9.733 1.00 73.14 C ATOM 990 C ARG A 61 7.390 12.796 9.793 1.00 11.00 C ATOM 991 O ARG A 61 6.222 13.169 9.910 1.00 24.04 O ATOM 992 CB ARG A 61 8.684 14.502 11.086 1.00 31.25 C ATOM 993 CG ARG A 61 7.512 15.401 11.444 1.00 1.31 C ATOM 994 CD ARG A 61 7.786 16.849 11.067 1.00 35.51 C ATOM 995 NE ARG A 61 7.161 17.784 11.997 1.00 12.21 N ATOM 996 CZ ARG A 61 7.581 19.031 12.180 1.00 13.41 C ATOM 997 NH1 ARG A 61 8.623 19.489 11.500 1.00 53.40 N ATOM 998 NH2 ARG A 61 6.960 19.822 13.045 1.00 54.42 N ATOM 0 H ARG A 61 7.955 15.690 9.014 1.00 22.02 H new ATOM 0 HA ARG A 61 9.454 13.273 9.501 1.00 73.14 H new ATOM 0 HB2 ARG A 61 8.802 13.746 11.863 1.00 31.25 H new ATOM 0 HB3 ARG A 61 9.598 15.096 11.079 1.00 31.25 H new ATOM 0 HG2 ARG A 61 6.615 15.054 10.931 1.00 1.31 H new ATOM 0 HG3 ARG A 61 7.314 15.334 12.514 1.00 1.31 H new ATOM 0 HD2 ARG A 61 8.862 17.021 11.048 1.00 35.51 H new ATOM 0 HD3 ARG A 61 7.415 17.038 10.059 1.00 35.51 H new ATOM 0 HE ARG A 61 6.357 17.462 12.536 1.00 12.21 H new ATOM 0 HH11 ARG A 61 9.104 18.884 10.835 1.00 53.40 H new ATOM 0 HH12 ARG A 61 8.944 20.447 11.642 1.00 53.40 H new ATOM 0 HH21 ARG A 61 6.159 19.473 13.571 1.00 54.42 H new ATOM 0 HH22 ARG A 61 7.284 20.779 13.184 1.00 54.42 H new ATOM 1012 N CYS A 62 7.735 11.515 9.711 1.00 75.22 N ATOM 1013 CA CYS A 62 6.739 10.450 9.755 1.00 4.12 C ATOM 1014 C CYS A 62 6.212 10.257 11.174 1.00 50.02 C ATOM 1015 O CYS A 62 6.942 10.383 12.157 1.00 64.43 O ATOM 1016 CB CYS A 62 7.340 9.141 9.240 1.00 41.22 C ATOM 1017 SG CYS A 62 8.652 9.364 7.996 1.00 24.11 S ATOM 0 H CYS A 62 8.697 11.189 9.614 1.00 75.22 H new ATOM 0 HA CYS A 62 5.906 10.738 9.113 1.00 4.12 H new ATOM 0 HB2 CYS A 62 7.745 8.583 10.084 1.00 41.22 H new ATOM 0 HB3 CYS A 62 6.545 8.533 8.809 1.00 41.22 H new ATOM 1022 N PRO A 63 4.912 9.943 11.284 1.00 44.44 N ATOM 1023 CA PRO A 63 4.258 9.725 12.578 1.00 62.23 C ATOM 1024 C PRO A 63 4.726 8.441 13.255 1.00 43.33 C ATOM 1025 O PRO A 63 4.827 8.376 14.481 1.00 63.03 O ATOM 1026 CB PRO A 63 2.774 9.627 12.212 1.00 5.12 C ATOM 1027 CG PRO A 63 2.764 9.172 10.793 1.00 33.13 C ATOM 1028 CD PRO A 63 3.982 9.777 10.155 1.00 42.32 C ATOM 0 HA PRO A 63 4.485 10.519 13.289 1.00 62.23 H new ATOM 0 HB2 PRO A 63 2.253 8.921 12.858 1.00 5.12 H new ATOM 0 HB3 PRO A 63 2.274 10.589 12.323 1.00 5.12 H new ATOM 0 HG2 PRO A 63 2.791 8.084 10.732 1.00 33.13 H new ATOM 0 HG3 PRO A 63 1.856 9.497 10.286 1.00 33.13 H new ATOM 0 HD2 PRO A 63 4.397 9.127 9.385 1.00 42.32 H new ATOM 0 HD3 PRO A 63 3.754 10.731 9.678 1.00 42.32 H new ATOM 1036 N HIS A 64 5.011 7.423 12.449 1.00 32.12 N ATOM 1037 CA HIS A 64 5.469 6.141 12.972 1.00 3.02 C ATOM 1038 C HIS A 64 6.886 6.255 13.527 1.00 52.50 C ATOM 1039 O HIS A 64 7.327 5.414 14.309 1.00 51.25 O ATOM 1040 CB HIS A 64 5.423 5.074 11.878 1.00 65.34 C ATOM 1041 CG HIS A 64 4.050 4.528 11.631 1.00 52.34 C ATOM 1042 ND1 HIS A 64 2.870 4.794 12.238 1.00 64.23 N flip ATOM 1043 CD2 HIS A 64 3.777 3.589 10.660 1.00 70.51 C flip ATOM 1044 CE1 HIS A 64 1.915 4.019 11.627 1.00 54.32 C flip ATOM 1045 NE2 HIS A 64 2.488 3.301 10.678 1.00 53.42 N flip ATOM 0 H HIS A 64 4.933 7.461 11.433 1.00 32.12 H new ATOM 0 HA HIS A 64 4.802 5.849 13.783 1.00 3.02 H new ATOM 0 HB2 HIS A 64 5.808 5.499 10.951 1.00 65.34 H new ATOM 0 HB3 HIS A 64 6.087 4.254 12.153 1.00 65.34 H new ATOM 0 HD2 HIS A 64 4.504 3.156 9.989 1.00 70.51 H new ATOM 0 HE1 HIS A 64 0.866 4.000 11.881 1.00 54.32 H new ATOM 0 HE2 HIS A 64 2.016 2.637 10.064 1.00 53.42 H new ATOM 1054 N ASN A 65 7.595 7.303 13.116 1.00 21.34 N ATOM 1055 CA ASN A 65 8.962 7.527 13.572 1.00 63.43 C ATOM 1056 C ASN A 65 9.242 9.017 13.739 1.00 33.34 C ATOM 1057 O ASN A 65 9.222 9.775 12.770 1.00 53.23 O ATOM 1058 CB ASN A 65 9.957 6.918 12.582 1.00 64.22 C ATOM 1059 CG ASN A 65 9.694 5.445 12.329 1.00 43.11 C ATOM 1060 OD1 ASN A 65 9.038 5.079 11.355 1.00 33.02 O ATOM 1061 ND2 ASN A 65 10.207 4.594 13.210 1.00 65.23 N ATOM 0 H ASN A 65 7.245 8.009 12.469 1.00 21.34 H new ATOM 0 HA ASN A 65 9.080 7.042 14.541 1.00 63.43 H new ATOM 0 HB2 ASN A 65 9.905 7.461 11.638 1.00 64.22 H new ATOM 0 HB3 ASN A 65 10.970 7.043 12.966 1.00 64.22 H new ATOM 0 HD21 ASN A 65 10.063 3.591 13.093 1.00 65.23 H new ATOM 0 HD22 ASN A 65 10.745 4.943 14.003 1.00 65.23 H new ATOM 1068 N ARG A 66 9.503 9.428 14.975 1.00 3.54 N ATOM 1069 CA ARG A 66 9.787 10.827 15.271 1.00 41.31 C ATOM 1070 C ARG A 66 11.259 11.147 15.025 1.00 53.11 C ATOM 1071 O ARG A 66 11.797 12.109 15.574 1.00 12.42 O ATOM 1072 CB ARG A 66 9.420 11.149 16.720 1.00 13.44 C ATOM 1073 CG ARG A 66 9.986 10.161 17.727 1.00 62.50 C ATOM 1074 CD ARG A 66 9.759 10.629 19.155 1.00 32.54 C ATOM 1075 NE ARG A 66 10.651 9.960 20.099 1.00 52.13 N ATOM 1076 CZ ARG A 66 10.807 10.344 21.361 1.00 50.23 C ATOM 1077 NH1 ARG A 66 10.134 11.385 21.828 1.00 54.41 N ATOM 1078 NH2 ARG A 66 11.638 9.685 22.158 1.00 21.53 N ATOM 0 H ARG A 66 9.524 8.812 15.788 1.00 3.54 H new ATOM 0 HA ARG A 66 9.182 11.443 14.605 1.00 41.31 H new ATOM 0 HB2 ARG A 66 9.780 12.149 16.963 1.00 13.44 H new ATOM 0 HB3 ARG A 66 8.334 11.169 16.815 1.00 13.44 H new ATOM 0 HG2 ARG A 66 9.519 9.186 17.584 1.00 62.50 H new ATOM 0 HG3 ARG A 66 11.054 10.032 17.551 1.00 62.50 H new ATOM 0 HD2 ARG A 66 9.913 11.707 19.212 1.00 32.54 H new ATOM 0 HD3 ARG A 66 8.724 10.440 19.438 1.00 32.54 H new ATOM 0 HE ARG A 66 11.183 9.154 19.771 1.00 52.13 H new ATOM 0 HH11 ARG A 66 9.494 11.894 21.218 1.00 54.41 H new ATOM 0 HH12 ARG A 66 10.256 11.678 22.797 1.00 54.41 H new ATOM 0 HH21 ARG A 66 12.158 8.883 21.802 1.00 21.53 H new ATOM 0 HH22 ARG A 66 11.757 9.981 23.127 1.00 21.53 H new ATOM 1092 N THR A 67 11.906 10.334 14.195 1.00 33.03 N ATOM 1093 CA THR A 67 13.315 10.529 13.879 1.00 62.24 C ATOM 1094 C THR A 67 13.563 10.402 12.380 1.00 63.22 C ATOM 1095 O THR A 67 14.160 11.284 11.761 1.00 53.40 O ATOM 1096 CB THR A 67 14.203 9.515 14.623 1.00 44.23 C ATOM 1097 OG1 THR A 67 15.561 9.636 14.182 1.00 54.13 O ATOM 1098 CG2 THR A 67 13.715 8.094 14.390 1.00 42.00 C ATOM 0 H THR A 67 11.476 9.534 13.730 1.00 33.03 H new ATOM 0 HA THR A 67 13.577 11.536 14.204 1.00 62.24 H new ATOM 0 HB THR A 67 14.147 9.731 15.690 1.00 44.23 H new ATOM 0 HG1 THR A 67 16.119 8.989 14.661 1.00 54.13 H new ATOM 0 HG21 THR A 67 14.358 7.396 14.926 1.00 42.00 H new ATOM 0 HG22 THR A 67 12.692 7.997 14.753 1.00 42.00 H new ATOM 0 HG23 THR A 67 13.744 7.869 13.324 1.00 42.00 H new ATOM 1106 N LEU A 68 13.102 9.299 11.800 1.00 5.03 N ATOM 1107 CA LEU A 68 13.275 9.055 10.371 1.00 11.24 C ATOM 1108 C LEU A 68 12.418 10.012 9.550 1.00 51.23 C ATOM 1109 O LEU A 68 11.240 10.216 9.844 1.00 4.23 O ATOM 1110 CB LEU A 68 12.912 7.608 10.034 1.00 55.05 C ATOM 1111 CG LEU A 68 13.661 6.986 8.856 1.00 42.13 C ATOM 1112 CD1 LEU A 68 13.434 5.483 8.812 1.00 70.23 C ATOM 1113 CD2 LEU A 68 13.230 7.631 7.547 1.00 54.25 C ATOM 0 H LEU A 68 12.606 8.559 12.297 1.00 5.03 H new ATOM 0 HA LEU A 68 14.322 9.227 10.120 1.00 11.24 H new ATOM 0 HB2 LEU A 68 13.091 6.994 10.917 1.00 55.05 H new ATOM 0 HB3 LEU A 68 11.843 7.562 9.825 1.00 55.05 H new ATOM 0 HG LEU A 68 14.727 7.168 8.993 1.00 42.13 H new ATOM 0 HD11 LEU A 68 13.975 5.058 7.967 1.00 70.23 H new ATOM 0 HD12 LEU A 68 13.795 5.033 9.737 1.00 70.23 H new ATOM 0 HD13 LEU A 68 12.369 5.279 8.701 1.00 70.23 H new ATOM 0 HD21 LEU A 68 13.774 7.175 6.720 1.00 54.25 H new ATOM 0 HD22 LEU A 68 12.160 7.482 7.403 1.00 54.25 H new ATOM 0 HD23 LEU A 68 13.447 8.699 7.579 1.00 54.25 H new ATOM 1125 N ASN A 69 13.016 10.596 8.516 1.00 41.20 N ATOM 1126 CA ASN A 69 12.307 11.531 7.650 1.00 23.13 C ATOM 1127 C ASN A 69 12.422 11.110 6.188 1.00 73.45 C ATOM 1128 O ASN A 69 13.070 11.783 5.387 1.00 32.34 O ATOM 1129 CB ASN A 69 12.861 12.946 7.830 1.00 3.03 C ATOM 1130 CG ASN A 69 14.351 12.952 8.112 1.00 33.11 C ATOM 1131 OD1 ASN A 69 14.788 12.623 9.214 1.00 33.22 O ATOM 1132 ND2 ASN A 69 15.140 13.329 7.112 1.00 4.43 N ATOM 0 H ASN A 69 13.990 10.438 8.258 1.00 41.20 H new ATOM 0 HA ASN A 69 11.254 11.522 7.931 1.00 23.13 H new ATOM 0 HB2 ASN A 69 12.662 13.528 6.930 1.00 3.03 H new ATOM 0 HB3 ASN A 69 12.337 13.437 8.650 1.00 3.03 H new ATOM 0 HD21 ASN A 69 16.151 13.354 7.242 1.00 4.43 H new ATOM 0 HD22 ASN A 69 14.734 13.594 6.214 1.00 4.43 H new ATOM 1139 N ASN A 70 11.787 9.994 5.847 1.00 31.22 N ATOM 1140 CA ASN A 70 11.817 9.483 4.482 1.00 73.41 C ATOM 1141 C ASN A 70 10.405 9.203 3.974 1.00 20.21 C ATOM 1142 O ASN A 70 10.212 8.427 3.037 1.00 1.22 O ATOM 1143 CB ASN A 70 12.659 8.208 4.410 1.00 41.04 C ATOM 1144 CG ASN A 70 13.237 7.974 3.028 1.00 32.10 C ATOM 1145 OD1 ASN A 70 13.305 8.890 2.208 1.00 73.32 O ATOM 1146 ND2 ASN A 70 13.657 6.742 2.763 1.00 31.32 N ATOM 0 H ASN A 70 11.245 9.426 6.498 1.00 31.22 H new ATOM 0 HA ASN A 70 12.268 10.245 3.846 1.00 73.41 H new ATOM 0 HB2 ASN A 70 13.471 8.271 5.135 1.00 41.04 H new ATOM 0 HB3 ASN A 70 12.044 7.354 4.693 1.00 41.04 H new ATOM 0 HD21 ASN A 70 14.055 6.524 1.850 1.00 31.32 H new ATOM 0 HD22 ASN A 70 13.581 6.014 3.473 1.00 31.32 H new ATOM 1153 N CYS A 71 9.420 9.840 4.599 1.00 0.41 N ATOM 1154 CA CYS A 71 8.026 9.661 4.212 1.00 10.22 C ATOM 1155 C CYS A 71 7.408 10.985 3.776 1.00 42.42 C ATOM 1156 O CYS A 71 7.511 11.993 4.478 1.00 31.21 O ATOM 1157 CB CYS A 71 7.225 9.070 5.374 1.00 30.43 C ATOM 1158 SG CYS A 71 8.201 8.005 6.484 1.00 10.41 S ATOM 0 H CYS A 71 9.562 10.485 5.376 1.00 0.41 H new ATOM 0 HA CYS A 71 7.995 8.971 3.369 1.00 10.22 H new ATOM 0 HB2 CYS A 71 6.794 9.885 5.956 1.00 30.43 H new ATOM 0 HB3 CYS A 71 6.394 8.492 4.971 1.00 30.43 H new ATOM 1163 N HIS A 72 6.766 10.978 2.612 1.00 33.23 N ATOM 1164 CA HIS A 72 6.130 12.179 2.082 1.00 72.32 C ATOM 1165 C HIS A 72 4.609 12.063 2.150 1.00 45.33 C ATOM 1166 O HIS A 72 4.044 11.007 1.864 1.00 15.44 O ATOM 1167 CB HIS A 72 6.570 12.419 0.638 1.00 32.11 C ATOM 1168 CG HIS A 72 8.013 12.104 0.391 1.00 5.03 C ATOM 1169 ND1 HIS A 72 8.946 13.061 0.053 1.00 0.02 N ATOM 1170 CD2 HIS A 72 8.683 10.928 0.438 1.00 55.12 C ATOM 1171 CE1 HIS A 72 10.126 12.488 -0.100 1.00 4.51 C ATOM 1172 NE2 HIS A 72 9.994 11.194 0.129 1.00 71.11 N ATOM 0 H HIS A 72 6.672 10.154 2.018 1.00 33.23 H new ATOM 0 HA HIS A 72 6.441 13.026 2.694 1.00 72.32 H new ATOM 0 HB2 HIS A 72 5.955 11.811 -0.026 1.00 32.11 H new ATOM 0 HB3 HIS A 72 6.385 13.461 0.379 1.00 32.11 H new ATOM 0 HD1 HIS A 72 8.755 14.056 -0.061 1.00 0.02 H new ATOM 0 HD2 HIS A 72 8.264 9.961 0.674 1.00 55.12 H new ATOM 0 HE1 HIS A 72 11.043 12.992 -0.367 1.00 4.51 H new ATOM 1181 N ARG A 73 3.954 13.155 2.531 1.00 50.13 N ATOM 1182 CA ARG A 73 2.501 13.176 2.637 1.00 31.13 C ATOM 1183 C ARG A 73 1.875 13.836 1.412 1.00 15.41 C ATOM 1184 O ARG A 73 1.971 15.050 1.232 1.00 62.32 O ATOM 1185 CB ARG A 73 2.072 13.917 3.905 1.00 61.22 C ATOM 1186 CG ARG A 73 0.646 13.613 4.335 1.00 74.11 C ATOM 1187 CD ARG A 73 0.020 14.795 5.060 1.00 35.42 C ATOM 1188 NE ARG A 73 -0.036 15.986 4.217 1.00 13.12 N ATOM 1189 CZ ARG A 73 -0.901 16.978 4.403 1.00 3.02 C ATOM 1190 NH1 ARG A 73 -1.777 16.920 5.396 1.00 14.22 N ATOM 1191 NH2 ARG A 73 -0.890 18.030 3.594 1.00 1.03 N ATOM 0 H ARG A 73 4.407 14.037 2.771 1.00 50.13 H new ATOM 0 HA ARG A 73 2.151 12.145 2.691 1.00 31.13 H new ATOM 0 HB2 ARG A 73 2.751 13.655 4.716 1.00 61.22 H new ATOM 0 HB3 ARG A 73 2.172 14.990 3.740 1.00 61.22 H new ATOM 0 HG2 ARG A 73 0.046 13.362 3.460 1.00 74.11 H new ATOM 0 HG3 ARG A 73 0.640 12.740 4.987 1.00 74.11 H new ATOM 0 HD2 ARG A 73 -0.987 14.531 5.382 1.00 35.42 H new ATOM 0 HD3 ARG A 73 0.595 15.014 5.960 1.00 35.42 H new ATOM 0 HE ARG A 73 0.625 16.061 3.443 1.00 13.12 H new ATOM 0 HH11 ARG A 73 -1.788 16.113 6.020 1.00 14.22 H new ATOM 0 HH12 ARG A 73 -2.440 17.683 5.537 1.00 14.22 H new ATOM 0 HH21 ARG A 73 -0.217 18.078 2.829 1.00 1.03 H new ATOM 0 HH22 ARG A 73 -1.554 18.791 3.738 1.00 1.03 H new ATOM 1205 N SER A 74 1.233 13.028 0.574 1.00 73.12 N ATOM 1206 CA SER A 74 0.595 13.533 -0.636 1.00 1.50 C ATOM 1207 C SER A 74 -0.171 14.822 -0.350 1.00 4.41 C ATOM 1208 O SER A 74 -0.402 15.175 0.807 1.00 51.22 O ATOM 1209 CB SER A 74 -0.353 12.481 -1.215 1.00 55.31 C ATOM 1210 OG SER A 74 -1.155 11.904 -0.199 1.00 22.01 O ATOM 0 H SER A 74 1.141 12.021 0.711 1.00 73.12 H new ATOM 0 HA SER A 74 1.376 13.749 -1.365 1.00 1.50 H new ATOM 0 HB2 SER A 74 -0.991 12.939 -1.971 1.00 55.31 H new ATOM 0 HB3 SER A 74 0.224 11.702 -1.714 1.00 55.31 H new ATOM 0 HG SER A 74 -1.753 11.236 -0.594 1.00 22.01 H new ATOM 1216 N ARG A 75 -0.560 15.520 -1.411 1.00 63.30 N ATOM 1217 CA ARG A 75 -1.297 16.770 -1.275 1.00 11.23 C ATOM 1218 C ARG A 75 -2.773 16.569 -1.608 1.00 33.30 C ATOM 1219 O ARG A 75 -3.653 17.050 -0.894 1.00 43.21 O ATOM 1220 CB ARG A 75 -0.699 17.842 -2.187 1.00 45.42 C ATOM 1221 CG ARG A 75 -0.590 17.413 -3.641 1.00 32.01 C ATOM 1222 CD ARG A 75 -0.111 18.555 -4.525 1.00 20.04 C ATOM 1223 NE ARG A 75 0.298 18.089 -5.847 1.00 51.13 N ATOM 1224 CZ ARG A 75 1.117 18.766 -6.643 1.00 52.35 C ATOM 1225 NH1 ARG A 75 1.613 19.933 -6.253 1.00 71.54 N ATOM 1226 NH2 ARG A 75 1.443 18.278 -7.833 1.00 74.54 N ATOM 0 H ARG A 75 -0.377 15.241 -2.375 1.00 63.30 H new ATOM 0 HA ARG A 75 -1.217 17.099 -0.239 1.00 11.23 H new ATOM 0 HB2 ARG A 75 -1.312 18.741 -2.127 1.00 45.42 H new ATOM 0 HB3 ARG A 75 0.292 18.107 -1.820 1.00 45.42 H new ATOM 0 HG2 ARG A 75 0.101 16.574 -3.723 1.00 32.01 H new ATOM 0 HG3 ARG A 75 -1.561 17.062 -3.992 1.00 32.01 H new ATOM 0 HD2 ARG A 75 -0.908 19.291 -4.631 1.00 20.04 H new ATOM 0 HD3 ARG A 75 0.727 19.060 -4.043 1.00 20.04 H new ATOM 0 HE ARG A 75 -0.065 17.195 -6.177 1.00 51.13 H new ATOM 0 HH11 ARG A 75 1.365 20.313 -5.339 1.00 71.54 H new ATOM 0 HH12 ARG A 75 2.242 20.451 -6.867 1.00 71.54 H new ATOM 0 HH21 ARG A 75 1.064 17.381 -8.138 1.00 74.54 H new ATOM 0 HH22 ARG A 75 2.072 18.800 -8.443 1.00 74.54 H new ATOM 1240 N PHE A 76 -3.036 15.857 -2.699 1.00 72.23 N ATOM 1241 CA PHE A 76 -4.405 15.594 -3.129 1.00 41.51 C ATOM 1242 C PHE A 76 -4.985 14.391 -2.391 1.00 24.22 C ATOM 1243 O PHE A 76 -4.247 13.556 -1.868 1.00 14.24 O ATOM 1244 CB PHE A 76 -4.450 15.352 -4.639 1.00 12.34 C ATOM 1245 CG PHE A 76 -4.658 16.604 -5.441 1.00 44.32 C ATOM 1246 CD1 PHE A 76 -4.046 17.791 -5.067 1.00 54.13 C ATOM 1247 CD2 PHE A 76 -5.462 16.596 -6.569 1.00 21.34 C ATOM 1248 CE1 PHE A 76 -4.236 18.945 -5.805 1.00 14.55 C ATOM 1249 CE2 PHE A 76 -5.655 17.747 -7.309 1.00 61.32 C ATOM 1250 CZ PHE A 76 -5.040 18.923 -6.927 1.00 10.33 C ATOM 0 H PHE A 76 -2.320 15.452 -3.301 1.00 72.23 H new ATOM 0 HA PHE A 76 -5.009 16.469 -2.891 1.00 41.51 H new ATOM 0 HB2 PHE A 76 -3.518 14.881 -4.951 1.00 12.34 H new ATOM 0 HB3 PHE A 76 -5.253 14.649 -4.862 1.00 12.34 H new ATOM 0 HD1 PHE A 76 -3.415 17.814 -4.191 1.00 54.13 H new ATOM 0 HD2 PHE A 76 -5.944 15.679 -6.874 1.00 21.34 H new ATOM 0 HE1 PHE A 76 -3.755 19.864 -5.503 1.00 14.55 H new ATOM 0 HE2 PHE A 76 -6.286 17.727 -8.185 1.00 61.32 H new ATOM 0 HZ PHE A 76 -5.188 19.823 -7.505 1.00 10.33 H new ATOM 1260 N ARG A 77 -6.311 14.310 -2.355 1.00 21.54 N ATOM 1261 CA ARG A 77 -6.990 13.210 -1.680 1.00 15.13 C ATOM 1262 C ARG A 77 -7.526 12.201 -2.691 1.00 34.42 C ATOM 1263 O ARG A 77 -8.106 12.575 -3.711 1.00 11.21 O ATOM 1264 CB ARG A 77 -8.136 13.743 -0.818 1.00 53.13 C ATOM 1265 CG ARG A 77 -7.688 14.725 0.252 1.00 32.32 C ATOM 1266 CD ARG A 77 -8.865 15.235 1.068 1.00 73.13 C ATOM 1267 NE ARG A 77 -9.711 16.145 0.299 1.00 35.41 N ATOM 1268 CZ ARG A 77 -9.470 17.444 0.175 1.00 53.20 C ATOM 1269 NH1 ARG A 77 -8.413 17.986 0.766 1.00 74.32 N ATOM 1270 NH2 ARG A 77 -10.286 18.206 -0.543 1.00 1.45 N ATOM 0 H ARG A 77 -6.936 14.992 -2.785 1.00 21.54 H new ATOM 0 HA ARG A 77 -6.266 12.707 -1.039 1.00 15.13 H new ATOM 0 HB2 ARG A 77 -8.868 14.230 -1.462 1.00 53.13 H new ATOM 0 HB3 ARG A 77 -8.641 12.903 -0.340 1.00 53.13 H new ATOM 0 HG2 ARG A 77 -6.968 14.242 0.913 1.00 32.32 H new ATOM 0 HG3 ARG A 77 -7.177 15.566 -0.216 1.00 32.32 H new ATOM 0 HD2 ARG A 77 -9.461 14.390 1.412 1.00 73.13 H new ATOM 0 HD3 ARG A 77 -8.495 15.747 1.956 1.00 73.13 H new ATOM 0 HE ARG A 77 -10.532 15.761 -0.168 1.00 35.41 H new ATOM 0 HH11 ARG A 77 -7.783 17.404 1.318 1.00 74.32 H new ATOM 0 HH12 ARG A 77 -8.231 18.985 0.669 1.00 74.32 H new ATOM 0 HH21 ARG A 77 -11.099 17.793 -1.000 1.00 1.45 H new ATOM 0 HH22 ARG A 77 -10.100 19.204 -0.638 1.00 1.45 H new ATOM 1284 N VAL A 78 -7.329 10.918 -2.401 1.00 13.31 N ATOM 1285 CA VAL A 78 -7.793 9.855 -3.284 1.00 3.10 C ATOM 1286 C VAL A 78 -8.611 8.822 -2.517 1.00 3.24 C ATOM 1287 O VAL A 78 -8.359 8.540 -1.345 1.00 34.41 O ATOM 1288 CB VAL A 78 -6.614 9.148 -3.978 1.00 22.53 C ATOM 1289 CG1 VAL A 78 -5.530 10.149 -4.344 1.00 51.45 C ATOM 1290 CG2 VAL A 78 -6.055 8.047 -3.088 1.00 65.14 C ATOM 0 H VAL A 78 -6.851 10.590 -1.561 1.00 13.31 H new ATOM 0 HA VAL A 78 -8.422 10.323 -4.041 1.00 3.10 H new ATOM 0 HB VAL A 78 -6.978 8.691 -4.898 1.00 22.53 H new ATOM 0 HG11 VAL A 78 -4.706 9.630 -4.833 1.00 51.45 H new ATOM 0 HG12 VAL A 78 -5.940 10.898 -5.021 1.00 51.45 H new ATOM 0 HG13 VAL A 78 -5.166 10.638 -3.440 1.00 51.45 H new ATOM 0 HG21 VAL A 78 -5.223 7.558 -3.594 1.00 65.14 H new ATOM 0 HG22 VAL A 78 -5.706 8.479 -2.150 1.00 65.14 H new ATOM 0 HG23 VAL A 78 -6.835 7.314 -2.882 1.00 65.14 H new ATOM 1300 N PRO A 79 -9.614 8.242 -3.192 1.00 12.20 N ATOM 1301 CA PRO A 79 -10.490 7.230 -2.594 1.00 61.22 C ATOM 1302 C PRO A 79 -9.766 5.911 -2.344 1.00 51.31 C ATOM 1303 O PRO A 79 -9.513 5.145 -3.275 1.00 43.30 O ATOM 1304 CB PRO A 79 -11.588 7.047 -3.644 1.00 34.43 C ATOM 1305 CG PRO A 79 -10.952 7.442 -4.931 1.00 42.31 C ATOM 1306 CD PRO A 79 -9.972 8.530 -4.592 1.00 3.43 C ATOM 0 HA PRO A 79 -10.862 7.539 -1.617 1.00 61.22 H new ATOM 0 HB2 PRO A 79 -11.937 6.015 -3.676 1.00 34.43 H new ATOM 0 HB3 PRO A 79 -12.455 7.670 -3.423 1.00 34.43 H new ATOM 0 HG2 PRO A 79 -10.448 6.593 -5.394 1.00 42.31 H new ATOM 0 HG3 PRO A 79 -11.698 7.797 -5.642 1.00 42.31 H new ATOM 0 HD2 PRO A 79 -9.099 8.502 -5.244 1.00 3.43 H new ATOM 0 HD3 PRO A 79 -10.417 9.519 -4.698 1.00 3.43 H new ATOM 1314 N LEU A 80 -9.435 5.653 -1.084 1.00 20.23 N ATOM 1315 CA LEU A 80 -8.740 4.425 -0.712 1.00 42.55 C ATOM 1316 C LEU A 80 -9.725 3.369 -0.222 1.00 3.50 C ATOM 1317 O LEU A 80 -10.918 3.638 -0.075 1.00 23.13 O ATOM 1318 CB LEU A 80 -7.702 4.713 0.373 1.00 5.44 C ATOM 1319 CG LEU A 80 -8.216 5.437 1.619 1.00 45.40 C ATOM 1320 CD1 LEU A 80 -9.533 4.834 2.081 1.00 43.21 C ATOM 1321 CD2 LEU A 80 -7.181 5.379 2.733 1.00 4.33 C ATOM 0 H LEU A 80 -9.636 6.277 -0.303 1.00 20.23 H new ATOM 0 HA LEU A 80 -8.234 4.040 -1.597 1.00 42.55 H new ATOM 0 HB2 LEU A 80 -7.259 3.767 0.684 1.00 5.44 H new ATOM 0 HB3 LEU A 80 -6.903 5.310 -0.066 1.00 5.44 H new ATOM 0 HG LEU A 80 -8.389 6.483 1.364 1.00 45.40 H new ATOM 0 HD11 LEU A 80 -9.883 5.362 2.968 1.00 43.21 H new ATOM 0 HD12 LEU A 80 -10.274 4.927 1.287 1.00 43.21 H new ATOM 0 HD13 LEU A 80 -9.387 3.780 2.319 1.00 43.21 H new ATOM 0 HD21 LEU A 80 -7.563 5.899 3.612 1.00 4.33 H new ATOM 0 HD22 LEU A 80 -6.977 4.339 2.987 1.00 4.33 H new ATOM 0 HD23 LEU A 80 -6.260 5.858 2.400 1.00 4.33 H new ATOM 1333 N LEU A 81 -9.218 2.168 0.031 1.00 31.23 N ATOM 1334 CA LEU A 81 -10.053 1.070 0.507 1.00 33.31 C ATOM 1335 C LEU A 81 -9.439 0.413 1.740 1.00 55.54 C ATOM 1336 O LEU A 81 -8.230 0.182 1.795 1.00 12.11 O ATOM 1337 CB LEU A 81 -10.242 0.029 -0.598 1.00 43.41 C ATOM 1338 CG LEU A 81 -11.566 -0.735 -0.582 1.00 3.21 C ATOM 1339 CD1 LEU A 81 -11.745 -1.465 0.740 1.00 64.33 C ATOM 1340 CD2 LEU A 81 -12.730 0.212 -0.833 1.00 14.32 C ATOM 0 H LEU A 81 -8.233 1.929 -0.085 1.00 31.23 H new ATOM 0 HA LEU A 81 -11.025 1.480 0.782 1.00 33.31 H new ATOM 0 HB2 LEU A 81 -10.146 0.530 -1.561 1.00 43.41 H new ATOM 0 HB3 LEU A 81 -9.428 -0.693 -0.532 1.00 43.41 H new ATOM 0 HG LEU A 81 -11.547 -1.475 -1.382 1.00 3.21 H new ATOM 0 HD11 LEU A 81 -12.693 -2.003 0.733 1.00 64.33 H new ATOM 0 HD12 LEU A 81 -10.927 -2.172 0.879 1.00 64.33 H new ATOM 0 HD13 LEU A 81 -11.743 -0.744 1.557 1.00 64.33 H new ATOM 0 HD21 LEU A 81 -13.665 -0.348 -0.818 1.00 14.32 H new ATOM 0 HD22 LEU A 81 -12.752 0.975 -0.055 1.00 14.32 H new ATOM 0 HD23 LEU A 81 -12.608 0.689 -1.806 1.00 14.32 H new ATOM 1352 N HIS A 82 -10.279 0.115 2.726 1.00 61.24 N ATOM 1353 CA HIS A 82 -9.819 -0.517 3.956 1.00 20.44 C ATOM 1354 C HIS A 82 -10.288 -1.968 4.030 1.00 51.22 C ATOM 1355 O HIS A 82 -11.474 -2.256 3.876 1.00 74.21 O ATOM 1356 CB HIS A 82 -10.326 0.256 5.173 1.00 54.40 C ATOM 1357 CG HIS A 82 -9.388 1.328 5.635 1.00 43.34 C ATOM 1358 ND1 HIS A 82 -9.607 2.633 5.923 1.00 74.42 N flip ATOM 1359 CD2 HIS A 82 -8.042 1.112 5.847 1.00 13.51 C flip ATOM 1360 CE1 HIS A 82 -8.402 3.174 6.301 1.00 61.44 C flip ATOM 1361 NE2 HIS A 82 -7.475 2.236 6.248 1.00 34.00 N flip ATOM 0 H HIS A 82 -11.281 0.301 2.697 1.00 61.24 H new ATOM 0 HA HIS A 82 -8.729 -0.504 3.955 1.00 20.44 H new ATOM 0 HB2 HIS A 82 -11.289 0.706 4.932 1.00 54.40 H new ATOM 0 HB3 HIS A 82 -10.497 -0.443 5.992 1.00 54.40 H new ATOM 0 HD2 HIS A 82 -7.531 0.171 5.707 1.00 13.51 H new ATOM 0 HE1 HIS A 82 -8.240 4.201 6.594 1.00 61.44 H new ATOM 0 HE2 HIS A 82 -6.489 2.358 6.478 1.00 34.00 H new ATOM 1370 N CYS A 83 -9.347 -2.877 4.266 1.00 34.22 N ATOM 1371 CA CYS A 83 -9.663 -4.297 4.359 1.00 72.40 C ATOM 1372 C CYS A 83 -8.979 -4.929 5.567 1.00 1.23 C ATOM 1373 O CYS A 83 -7.961 -5.608 5.433 1.00 4.34 O ATOM 1374 CB CYS A 83 -9.234 -5.022 3.081 1.00 50.33 C ATOM 1375 SG CYS A 83 -10.223 -4.588 1.613 1.00 21.24 S ATOM 0 H CYS A 83 -8.360 -2.655 4.396 1.00 34.22 H new ATOM 0 HA CYS A 83 -10.742 -4.395 4.481 1.00 72.40 H new ATOM 0 HB2 CYS A 83 -8.187 -4.795 2.881 1.00 50.33 H new ATOM 0 HB3 CYS A 83 -9.301 -6.097 3.246 1.00 50.33 H new ATOM 1380 N ASP A 84 -9.546 -4.700 6.748 1.00 62.24 N ATOM 1381 CA ASP A 84 -8.992 -5.247 7.981 1.00 63.45 C ATOM 1382 C ASP A 84 -9.473 -6.677 8.205 1.00 4.02 C ATOM 1383 O ASP A 84 -10.560 -7.054 7.766 1.00 14.35 O ATOM 1384 CB ASP A 84 -9.381 -4.371 9.172 1.00 33.43 C ATOM 1385 CG ASP A 84 -10.784 -4.664 9.671 1.00 45.31 C ATOM 1386 OD1 ASP A 84 -11.058 -5.831 10.020 1.00 3.35 O ATOM 1387 OD2 ASP A 84 -11.605 -3.726 9.714 1.00 54.42 O ATOM 0 H ASP A 84 -10.388 -4.140 6.876 1.00 62.24 H new ATOM 0 HA ASP A 84 -7.906 -5.259 7.889 1.00 63.45 H new ATOM 0 HB2 ASP A 84 -8.670 -4.528 9.983 1.00 33.43 H new ATOM 0 HB3 ASP A 84 -9.312 -3.322 8.886 1.00 33.43 H new ATOM 1392 N LEU A 85 -8.656 -7.470 8.889 1.00 40.21 N ATOM 1393 CA LEU A 85 -8.998 -8.859 9.172 1.00 25.51 C ATOM 1394 C LEU A 85 -10.124 -8.946 10.197 1.00 70.10 C ATOM 1395 O LEU A 85 -9.905 -8.750 11.393 1.00 41.12 O ATOM 1396 CB LEU A 85 -7.768 -9.614 9.682 1.00 75.20 C ATOM 1397 CG LEU A 85 -7.932 -11.125 9.854 1.00 3.33 C ATOM 1398 CD1 LEU A 85 -8.421 -11.759 8.562 1.00 22.04 C ATOM 1399 CD2 LEU A 85 -6.620 -11.756 10.298 1.00 51.45 C ATOM 0 H LEU A 85 -7.752 -7.175 9.258 1.00 40.21 H new ATOM 0 HA LEU A 85 -9.341 -9.319 8.245 1.00 25.51 H new ATOM 0 HB2 LEU A 85 -6.944 -9.434 8.992 1.00 75.20 H new ATOM 0 HB3 LEU A 85 -7.478 -9.188 10.643 1.00 75.20 H new ATOM 0 HG LEU A 85 -8.679 -11.305 10.627 1.00 3.33 H new ATOM 0 HD11 LEU A 85 -8.532 -12.834 8.703 1.00 22.04 H new ATOM 0 HD12 LEU A 85 -9.384 -11.328 8.287 1.00 22.04 H new ATOM 0 HD13 LEU A 85 -7.699 -11.570 7.768 1.00 22.04 H new ATOM 0 HD21 LEU A 85 -6.755 -12.831 10.416 1.00 51.45 H new ATOM 0 HD22 LEU A 85 -5.853 -11.566 9.547 1.00 51.45 H new ATOM 0 HD23 LEU A 85 -6.312 -11.323 11.250 1.00 51.45 H new ATOM 1411 N ILE A 86 -11.328 -9.244 9.721 1.00 53.33 N ATOM 1412 CA ILE A 86 -12.488 -9.359 10.597 1.00 72.43 C ATOM 1413 C ILE A 86 -12.268 -10.430 11.660 1.00 15.32 C ATOM 1414 O ILE A 86 -12.782 -10.327 12.773 1.00 34.51 O ATOM 1415 CB ILE A 86 -13.763 -9.696 9.801 1.00 20.02 C ATOM 1416 CG1 ILE A 86 -14.102 -8.559 8.835 1.00 31.33 C ATOM 1417 CG2 ILE A 86 -14.925 -9.958 10.749 1.00 65.44 C ATOM 1418 CD1 ILE A 86 -14.995 -8.985 7.691 1.00 71.45 C ATOM 0 H ILE A 86 -11.526 -9.410 8.734 1.00 53.33 H new ATOM 0 HA ILE A 86 -12.617 -8.391 11.080 1.00 72.43 H new ATOM 0 HB ILE A 86 -13.583 -10.600 9.219 1.00 20.02 H new ATOM 0 HG12 ILE A 86 -14.591 -7.757 9.388 1.00 31.33 H new ATOM 0 HG13 ILE A 86 -13.177 -8.149 8.430 1.00 31.33 H new ATOM 0 HG21 ILE A 86 -15.819 -10.195 10.172 1.00 65.44 H new ATOM 0 HG22 ILE A 86 -14.681 -10.797 11.401 1.00 65.44 H new ATOM 0 HG23 ILE A 86 -15.108 -9.070 11.354 1.00 65.44 H new ATOM 0 HD11 ILE A 86 -15.194 -8.129 7.047 1.00 71.45 H new ATOM 0 HD12 ILE A 86 -14.500 -9.766 7.114 1.00 71.45 H new ATOM 0 HD13 ILE A 86 -15.936 -9.368 8.087 1.00 71.45 H new ATOM 1430 N ASN A 87 -11.499 -11.455 11.310 1.00 74.10 N ATOM 1431 CA ASN A 87 -11.210 -12.544 12.235 1.00 31.33 C ATOM 1432 C ASN A 87 -9.791 -12.429 12.786 1.00 34.32 C ATOM 1433 O ASN A 87 -8.822 -12.869 12.168 1.00 73.11 O ATOM 1434 CB ASN A 87 -11.391 -13.895 11.539 1.00 1.01 C ATOM 1435 CG ASN A 87 -10.986 -13.850 10.078 1.00 41.21 C ATOM 1436 OD1 ASN A 87 -9.883 -14.261 9.715 1.00 54.25 O ATOM 1437 ND2 ASN A 87 -11.879 -13.349 9.232 1.00 41.01 N ATOM 0 H ASN A 87 -11.065 -11.554 10.392 1.00 74.10 H new ATOM 0 HA ASN A 87 -11.910 -12.475 13.067 1.00 31.33 H new ATOM 0 HB2 ASN A 87 -10.797 -14.649 12.055 1.00 1.01 H new ATOM 0 HB3 ASN A 87 -12.434 -14.203 11.615 1.00 1.01 H new ATOM 0 HD21 ASN A 87 -11.663 -13.293 8.237 1.00 41.01 H new ATOM 0 HD22 ASN A 87 -12.781 -13.020 9.578 1.00 41.01 H new ATOM 1444 N PRO A 88 -9.667 -11.824 13.976 1.00 11.41 N ATOM 1445 CA PRO A 88 -8.371 -11.637 14.636 1.00 11.54 C ATOM 1446 C PRO A 88 -7.779 -12.951 15.133 1.00 62.11 C ATOM 1447 O PRO A 88 -8.358 -13.620 15.988 1.00 0.25 O ATOM 1448 CB PRO A 88 -8.704 -10.720 15.817 1.00 15.01 C ATOM 1449 CG PRO A 88 -10.145 -10.972 16.098 1.00 4.04 C ATOM 1450 CD PRO A 88 -10.780 -11.274 14.769 1.00 61.12 C ATOM 0 HA PRO A 88 -7.623 -11.227 13.957 1.00 11.54 H new ATOM 0 HB2 PRO A 88 -8.085 -10.951 16.684 1.00 15.01 H new ATOM 0 HB3 PRO A 88 -8.526 -9.674 15.568 1.00 15.01 H new ATOM 0 HG2 PRO A 88 -10.268 -11.807 16.788 1.00 4.04 H new ATOM 0 HG3 PRO A 88 -10.609 -10.103 16.564 1.00 4.04 H new ATOM 0 HD2 PRO A 88 -11.596 -11.990 14.867 1.00 61.12 H new ATOM 0 HD3 PRO A 88 -11.196 -10.377 14.310 1.00 61.12 H new ATOM 1458 N GLY A 89 -6.621 -13.316 14.590 1.00 14.54 N ATOM 1459 CA GLY A 89 -5.970 -14.549 14.992 1.00 65.21 C ATOM 1460 C GLY A 89 -6.090 -15.636 13.943 1.00 35.23 C ATOM 1461 O GLY A 89 -5.537 -16.724 14.099 1.00 12.44 O ATOM 0 H GLY A 89 -6.123 -12.780 13.879 1.00 14.54 H new ATOM 0 HA2 GLY A 89 -4.916 -14.353 15.188 1.00 65.21 H new ATOM 0 HA3 GLY A 89 -6.408 -14.900 15.926 1.00 65.21 H new ATOM 1465 N ALA A 90 -6.820 -15.343 12.871 1.00 64.44 N ATOM 1466 CA ALA A 90 -7.012 -16.305 11.792 1.00 44.44 C ATOM 1467 C ALA A 90 -5.989 -16.093 10.680 1.00 54.24 C ATOM 1468 O ALA A 90 -5.944 -15.030 10.062 1.00 52.03 O ATOM 1469 CB ALA A 90 -8.425 -16.201 11.239 1.00 33.42 C ATOM 0 H ALA A 90 -7.288 -14.448 12.727 1.00 64.44 H new ATOM 0 HA ALA A 90 -6.866 -17.306 12.199 1.00 44.44 H new ATOM 0 HB1 ALA A 90 -8.555 -16.925 10.434 1.00 33.42 H new ATOM 0 HB2 ALA A 90 -9.143 -16.408 12.033 1.00 33.42 H new ATOM 0 HB3 ALA A 90 -8.592 -15.195 10.853 1.00 33.42 H new ATOM 1475 N GLN A 91 -5.172 -17.111 10.432 1.00 74.24 N ATOM 1476 CA GLN A 91 -4.150 -17.034 9.394 1.00 20.31 C ATOM 1477 C GLN A 91 -4.390 -18.085 8.316 1.00 63.35 C ATOM 1478 O GLN A 91 -3.552 -18.957 8.088 1.00 34.24 O ATOM 1479 CB GLN A 91 -2.759 -17.220 10.004 1.00 34.21 C ATOM 1480 CG GLN A 91 -2.354 -16.098 10.946 1.00 2.23 C ATOM 1481 CD GLN A 91 -1.158 -16.461 11.806 1.00 73.52 C ATOM 1482 OE1 GLN A 91 -0.553 -17.519 11.632 1.00 72.13 O ATOM 1483 NE2 GLN A 91 -0.812 -15.584 12.741 1.00 75.22 N ATOM 0 H GLN A 91 -5.197 -17.998 10.935 1.00 74.24 H new ATOM 0 HA GLN A 91 -4.208 -16.048 8.934 1.00 20.31 H new ATOM 0 HB2 GLN A 91 -2.732 -18.166 10.546 1.00 34.21 H new ATOM 0 HB3 GLN A 91 -2.026 -17.292 9.201 1.00 34.21 H new ATOM 0 HG2 GLN A 91 -2.121 -15.206 10.364 1.00 2.23 H new ATOM 0 HG3 GLN A 91 -3.197 -15.847 11.590 1.00 2.23 H new ATOM 0 HE21 GLN A 91 -1.342 -14.719 12.850 1.00 75.22 H new ATOM 0 HE22 GLN A 91 -0.016 -15.775 13.350 1.00 75.22 H new ATOM 1492 N ASN A 92 -5.539 -17.995 7.654 1.00 70.02 N ATOM 1493 CA ASN A 92 -5.889 -18.939 6.598 1.00 10.23 C ATOM 1494 C ASN A 92 -6.452 -18.211 5.382 1.00 21.13 C ATOM 1495 O ASN A 92 -7.647 -17.919 5.318 1.00 11.44 O ATOM 1496 CB ASN A 92 -6.908 -19.958 7.115 1.00 54.25 C ATOM 1497 CG ASN A 92 -7.983 -19.316 7.971 1.00 64.24 C ATOM 1498 OD1 ASN A 92 -9.018 -18.881 7.465 1.00 64.22 O ATOM 1499 ND2 ASN A 92 -7.742 -19.255 9.275 1.00 11.50 N ATOM 0 H ASN A 92 -6.243 -17.279 7.830 1.00 70.02 H new ATOM 0 HA ASN A 92 -4.982 -19.463 6.297 1.00 10.23 H new ATOM 0 HB2 ASN A 92 -7.374 -20.463 6.269 1.00 54.25 H new ATOM 0 HB3 ASN A 92 -6.392 -20.721 7.697 1.00 54.25 H new ATOM 0 HD21 ASN A 92 -8.429 -18.835 9.901 1.00 11.50 H new ATOM 0 HD22 ASN A 92 -6.870 -19.628 9.651 1.00 11.50 H new ATOM 1506 N ILE A 93 -5.584 -17.922 4.418 1.00 22.42 N ATOM 1507 CA ILE A 93 -5.995 -17.230 3.203 1.00 71.13 C ATOM 1508 C ILE A 93 -7.169 -17.940 2.536 1.00 44.41 C ATOM 1509 O ILE A 93 -7.915 -17.337 1.766 1.00 54.31 O ATOM 1510 CB ILE A 93 -4.835 -17.123 2.196 1.00 52.42 C ATOM 1511 CG1 ILE A 93 -3.976 -18.389 2.239 1.00 71.34 C ATOM 1512 CG2 ILE A 93 -3.989 -15.893 2.490 1.00 11.15 C ATOM 1513 CD1 ILE A 93 -3.049 -18.530 1.051 1.00 74.32 C ATOM 0 H ILE A 93 -4.592 -18.156 4.455 1.00 22.42 H new ATOM 0 HA ILE A 93 -6.301 -16.227 3.500 1.00 71.13 H new ATOM 0 HB ILE A 93 -5.252 -17.022 1.194 1.00 52.42 H new ATOM 0 HG12 ILE A 93 -3.383 -18.386 3.154 1.00 71.34 H new ATOM 0 HG13 ILE A 93 -4.629 -19.260 2.286 1.00 71.34 H new ATOM 0 HG21 ILE A 93 -3.173 -15.832 1.770 1.00 11.15 H new ATOM 0 HG22 ILE A 93 -4.608 -14.999 2.414 1.00 11.15 H new ATOM 0 HG23 ILE A 93 -3.579 -15.966 3.497 1.00 11.15 H new ATOM 0 HD11 ILE A 93 -2.471 -19.449 1.148 1.00 74.32 H new ATOM 0 HD12 ILE A 93 -3.636 -18.565 0.133 1.00 74.32 H new ATOM 0 HD13 ILE A 93 -2.371 -17.677 1.015 1.00 74.32 H new ATOM 1525 N SER A 94 -7.326 -19.225 2.839 1.00 42.44 N ATOM 1526 CA SER A 94 -8.407 -20.018 2.268 1.00 52.45 C ATOM 1527 C SER A 94 -9.748 -19.636 2.888 1.00 45.24 C ATOM 1528 O SER A 94 -10.768 -19.580 2.203 1.00 63.04 O ATOM 1529 CB SER A 94 -8.140 -21.509 2.479 1.00 72.31 C ATOM 1530 OG SER A 94 -8.881 -22.295 1.561 1.00 54.01 O ATOM 0 H SER A 94 -6.718 -19.738 3.477 1.00 42.44 H new ATOM 0 HA SER A 94 -8.450 -19.812 1.199 1.00 52.45 H new ATOM 0 HB2 SER A 94 -7.076 -21.711 2.360 1.00 72.31 H new ATOM 0 HB3 SER A 94 -8.405 -21.788 3.499 1.00 72.31 H new ATOM 0 HG SER A 94 -8.692 -23.244 1.716 1.00 54.01 H new ATOM 1536 N ASN A 95 -9.736 -19.375 4.191 1.00 3.33 N ATOM 1537 CA ASN A 95 -10.950 -18.999 4.906 1.00 0.24 C ATOM 1538 C ASN A 95 -10.752 -17.689 5.662 1.00 15.33 C ATOM 1539 O ASN A 95 -11.083 -17.585 6.844 1.00 0.11 O ATOM 1540 CB ASN A 95 -11.357 -20.106 5.879 1.00 22.34 C ATOM 1541 CG ASN A 95 -12.840 -20.082 6.196 1.00 75.23 C ATOM 1542 OD1 ASN A 95 -13.573 -19.212 5.724 1.00 32.21 O ATOM 1543 ND2 ASN A 95 -13.290 -21.040 6.998 1.00 60.45 N ATOM 0 H ASN A 95 -8.899 -19.417 4.773 1.00 3.33 H new ATOM 0 HA ASN A 95 -11.745 -18.858 4.173 1.00 0.24 H new ATOM 0 HB2 ASN A 95 -11.095 -21.075 5.453 1.00 22.34 H new ATOM 0 HB3 ASN A 95 -10.789 -20.000 6.803 1.00 22.34 H new ATOM 0 HD21 ASN A 95 -14.279 -21.075 7.246 1.00 60.45 H new ATOM 0 HD22 ASN A 95 -12.647 -21.741 7.366 1.00 60.45 H new ATOM 1550 N CYS A 96 -10.212 -16.689 4.973 1.00 73.22 N ATOM 1551 CA CYS A 96 -9.971 -15.385 5.578 1.00 21.14 C ATOM 1552 C CYS A 96 -11.038 -14.381 5.152 1.00 34.33 C ATOM 1553 O CYS A 96 -11.682 -14.546 4.115 1.00 11.53 O ATOM 1554 CB CYS A 96 -8.584 -14.868 5.188 1.00 54.34 C ATOM 1555 SG CYS A 96 -7.795 -13.826 6.457 1.00 71.05 S ATOM 0 H CYS A 96 -9.933 -16.757 3.994 1.00 73.22 H new ATOM 0 HA CYS A 96 -10.018 -15.500 6.661 1.00 21.14 H new ATOM 0 HB2 CYS A 96 -7.936 -15.719 4.978 1.00 54.34 H new ATOM 0 HB3 CYS A 96 -8.668 -14.296 4.264 1.00 54.34 H new ATOM 1560 N ARG A 97 -11.221 -13.342 5.960 1.00 5.11 N ATOM 1561 CA ARG A 97 -12.210 -12.312 5.669 1.00 71.42 C ATOM 1562 C ARG A 97 -11.609 -10.919 5.828 1.00 34.13 C ATOM 1563 O ARG A 97 -10.666 -10.723 6.596 1.00 63.33 O ATOM 1564 CB ARG A 97 -13.423 -12.465 6.589 1.00 70.24 C ATOM 1565 CG ARG A 97 -14.083 -13.831 6.506 1.00 72.14 C ATOM 1566 CD ARG A 97 -15.502 -13.798 7.049 1.00 33.41 C ATOM 1567 NE ARG A 97 -16.130 -15.117 7.021 1.00 63.14 N ATOM 1568 CZ ARG A 97 -17.419 -15.323 7.270 1.00 44.10 C ATOM 1569 NH1 ARG A 97 -18.212 -14.302 7.564 1.00 71.24 N ATOM 1570 NH2 ARG A 97 -17.915 -16.552 7.225 1.00 33.35 N ATOM 0 H ARG A 97 -10.697 -13.191 6.822 1.00 5.11 H new ATOM 0 HA ARG A 97 -12.530 -12.434 4.634 1.00 71.42 H new ATOM 0 HB2 ARG A 97 -13.113 -12.283 7.618 1.00 70.24 H new ATOM 0 HB3 ARG A 97 -14.158 -11.700 6.337 1.00 70.24 H new ATOM 0 HG2 ARG A 97 -14.097 -14.167 5.469 1.00 72.14 H new ATOM 0 HG3 ARG A 97 -13.494 -14.556 7.068 1.00 72.14 H new ATOM 0 HD2 ARG A 97 -15.490 -13.424 8.073 1.00 33.41 H new ATOM 0 HD3 ARG A 97 -16.099 -13.100 6.462 1.00 33.41 H new ATOM 0 HE ARG A 97 -15.547 -15.924 6.798 1.00 63.14 H new ATOM 0 HH11 ARG A 97 -17.833 -13.356 7.599 1.00 71.24 H new ATOM 0 HH12 ARG A 97 -19.201 -14.463 7.755 1.00 71.24 H new ATOM 0 HH21 ARG A 97 -17.307 -17.339 6.999 1.00 33.35 H new ATOM 0 HH22 ARG A 97 -18.904 -16.710 7.416 1.00 33.35 H new ATOM 1584 N TYR A 98 -12.160 -9.955 5.099 1.00 33.43 N ATOM 1585 CA TYR A 98 -11.677 -8.580 5.158 1.00 21.43 C ATOM 1586 C TYR A 98 -12.840 -7.597 5.225 1.00 54.42 C ATOM 1587 O TYR A 98 -13.799 -7.698 4.460 1.00 45.34 O ATOM 1588 CB TYR A 98 -10.803 -8.273 3.941 1.00 63.45 C ATOM 1589 CG TYR A 98 -9.338 -8.579 4.154 1.00 0.44 C ATOM 1590 CD1 TYR A 98 -8.697 -8.212 5.332 1.00 64.33 C ATOM 1591 CD2 TYR A 98 -8.594 -9.232 3.180 1.00 72.53 C ATOM 1592 CE1 TYR A 98 -7.357 -8.489 5.531 1.00 52.21 C ATOM 1593 CE2 TYR A 98 -7.256 -9.514 3.370 1.00 0.33 C ATOM 1594 CZ TYR A 98 -6.642 -9.140 4.548 1.00 21.02 C ATOM 1595 OH TYR A 98 -5.308 -9.417 4.742 1.00 21.44 O ATOM 0 H TYR A 98 -12.942 -10.100 4.460 1.00 33.43 H new ATOM 0 HA TYR A 98 -11.080 -8.469 6.063 1.00 21.43 H new ATOM 0 HB2 TYR A 98 -11.166 -8.849 3.089 1.00 63.45 H new ATOM 0 HB3 TYR A 98 -10.912 -7.220 3.683 1.00 63.45 H new ATOM 0 HD1 TYR A 98 -9.255 -7.702 6.104 1.00 64.33 H new ATOM 0 HD2 TYR A 98 -9.071 -9.525 2.256 1.00 72.53 H new ATOM 0 HE1 TYR A 98 -6.873 -8.197 6.451 1.00 52.21 H new ATOM 0 HE2 TYR A 98 -6.694 -10.024 2.602 1.00 0.33 H new ATOM 0 HH TYR A 98 -4.947 -8.821 5.431 1.00 21.44 H new ATOM 1605 N ALA A 99 -12.747 -6.642 6.146 1.00 74.30 N ATOM 1606 CA ALA A 99 -13.790 -5.637 6.312 1.00 31.32 C ATOM 1607 C ALA A 99 -13.644 -4.519 5.284 1.00 24.33 C ATOM 1608 O ALA A 99 -12.669 -3.768 5.306 1.00 41.12 O ATOM 1609 CB ALA A 99 -13.754 -5.068 7.723 1.00 73.44 C ATOM 0 H ALA A 99 -11.960 -6.544 6.788 1.00 74.30 H new ATOM 0 HA ALA A 99 -14.754 -6.119 6.151 1.00 31.32 H new ATOM 0 HB1 ALA A 99 -14.538 -4.319 7.833 1.00 73.44 H new ATOM 0 HB2 ALA A 99 -13.915 -5.870 8.443 1.00 73.44 H new ATOM 0 HB3 ALA A 99 -12.783 -4.607 7.905 1.00 73.44 H new ATOM 1615 N ASP A 100 -14.617 -4.417 4.387 1.00 14.34 N ATOM 1616 CA ASP A 100 -14.597 -3.390 3.351 1.00 41.41 C ATOM 1617 C ASP A 100 -15.075 -2.050 3.904 1.00 23.42 C ATOM 1618 O ASP A 100 -16.158 -1.958 4.482 1.00 74.12 O ATOM 1619 CB ASP A 100 -15.472 -3.810 2.170 1.00 53.52 C ATOM 1620 CG ASP A 100 -16.950 -3.611 2.444 1.00 71.21 C ATOM 1621 OD1 ASP A 100 -17.428 -4.089 3.495 1.00 14.31 O ATOM 1622 OD2 ASP A 100 -17.628 -2.978 1.609 1.00 13.14 O ATOM 0 H ASP A 100 -15.430 -5.032 4.355 1.00 14.34 H new ATOM 0 HA ASP A 100 -13.569 -3.275 3.008 1.00 41.41 H new ATOM 0 HB2 ASP A 100 -15.188 -3.235 1.289 1.00 53.52 H new ATOM 0 HB3 ASP A 100 -15.286 -4.859 1.939 1.00 53.52 H new ATOM 1627 N ARG A 101 -14.260 -1.017 3.724 1.00 71.10 N ATOM 1628 CA ARG A 101 -14.599 0.316 4.207 1.00 40.02 C ATOM 1629 C ARG A 101 -13.975 1.391 3.321 1.00 62.43 C ATOM 1630 O ARG A 101 -12.773 1.651 3.371 1.00 54.11 O ATOM 1631 CB ARG A 101 -14.127 0.494 5.651 1.00 52.24 C ATOM 1632 CG ARG A 101 -14.994 1.442 6.463 1.00 35.12 C ATOM 1633 CD ARG A 101 -16.220 0.735 7.020 1.00 1.23 C ATOM 1634 NE ARG A 101 -17.125 1.659 7.698 1.00 40.40 N ATOM 1635 CZ ARG A 101 -17.969 2.462 7.060 1.00 52.41 C ATOM 1636 NH1 ARG A 101 -18.025 2.453 5.735 1.00 43.13 N ATOM 1637 NH2 ARG A 101 -18.760 3.276 7.747 1.00 30.45 N ATOM 0 H ARG A 101 -13.360 -1.077 3.247 1.00 71.10 H new ATOM 0 HA ARG A 101 -15.683 0.423 4.170 1.00 40.02 H new ATOM 0 HB2 ARG A 101 -14.110 -0.479 6.141 1.00 52.24 H new ATOM 0 HB3 ARG A 101 -13.103 0.866 5.646 1.00 52.24 H new ATOM 0 HG2 ARG A 101 -14.410 1.860 7.283 1.00 35.12 H new ATOM 0 HG3 ARG A 101 -15.307 2.277 5.837 1.00 35.12 H new ATOM 0 HD2 ARG A 101 -16.751 0.238 6.209 1.00 1.23 H new ATOM 0 HD3 ARG A 101 -15.905 -0.041 7.718 1.00 1.23 H new ATOM 0 HE ARG A 101 -17.108 1.689 8.717 1.00 40.40 H new ATOM 0 HH11 ARG A 101 -17.419 1.828 5.203 1.00 43.13 H new ATOM 0 HH12 ARG A 101 -18.674 3.071 5.248 1.00 43.13 H new ATOM 0 HH21 ARG A 101 -18.720 3.286 8.766 1.00 30.45 H new ATOM 0 HH22 ARG A 101 -19.408 3.892 7.256 1.00 30.45 H new ATOM 1651 N PRO A 102 -14.810 2.028 2.486 1.00 13.52 N ATOM 1652 CA PRO A 102 -14.364 3.085 1.573 1.00 64.20 C ATOM 1653 C PRO A 102 -13.968 4.359 2.310 1.00 52.25 C ATOM 1654 O PRO A 102 -14.520 4.677 3.363 1.00 63.12 O ATOM 1655 CB PRO A 102 -15.591 3.335 0.693 1.00 0.11 C ATOM 1656 CG PRO A 102 -16.749 2.912 1.528 1.00 31.04 C ATOM 1657 CD PRO A 102 -16.255 1.769 2.373 1.00 32.34 C ATOM 0 HA PRO A 102 -13.475 2.792 1.015 1.00 64.20 H new ATOM 0 HB2 PRO A 102 -15.669 4.385 0.411 1.00 0.11 H new ATOM 0 HB3 PRO A 102 -15.539 2.760 -0.232 1.00 0.11 H new ATOM 0 HG2 PRO A 102 -17.102 3.734 2.151 1.00 31.04 H new ATOM 0 HG3 PRO A 102 -17.587 2.602 0.904 1.00 31.04 H new ATOM 0 HD2 PRO A 102 -16.738 1.753 3.350 1.00 32.34 H new ATOM 0 HD3 PRO A 102 -16.455 0.806 1.903 1.00 32.34 H new ATOM 1665 N GLY A 103 -13.007 5.088 1.749 1.00 2.32 N ATOM 1666 CA GLY A 103 -12.554 6.320 2.366 1.00 1.54 C ATOM 1667 C GLY A 103 -11.827 7.224 1.392 1.00 51.14 C ATOM 1668 O GLY A 103 -11.404 6.783 0.323 1.00 52.24 O ATOM 0 H GLY A 103 -12.535 4.846 0.878 1.00 2.32 H new ATOM 0 HA2 GLY A 103 -13.411 6.852 2.780 1.00 1.54 H new ATOM 0 HA3 GLY A 103 -11.893 6.083 3.200 1.00 1.54 H new ATOM 1672 N ARG A 104 -11.682 8.493 1.758 1.00 15.44 N ATOM 1673 CA ARG A 104 -11.004 9.463 0.906 1.00 10.21 C ATOM 1674 C ARG A 104 -10.058 10.338 1.724 1.00 2.02 C ATOM 1675 O ARG A 104 -10.497 11.194 2.493 1.00 32.32 O ATOM 1676 CB ARG A 104 -12.026 10.339 0.180 1.00 5.11 C ATOM 1677 CG ARG A 104 -11.398 11.452 -0.643 1.00 74.45 C ATOM 1678 CD ARG A 104 -12.457 12.316 -1.311 1.00 23.02 C ATOM 1679 NE ARG A 104 -13.278 13.026 -0.334 1.00 31.22 N ATOM 1680 CZ ARG A 104 -13.934 14.150 -0.603 1.00 43.31 C ATOM 1681 NH1 ARG A 104 -13.864 14.688 -1.813 1.00 63.22 N ATOM 1682 NH2 ARG A 104 -14.660 14.738 0.339 1.00 73.44 N ATOM 0 H ARG A 104 -12.025 8.874 2.640 1.00 15.44 H new ATOM 0 HA ARG A 104 -10.418 8.914 0.169 1.00 10.21 H new ATOM 0 HB2 ARG A 104 -12.630 9.711 -0.475 1.00 5.11 H new ATOM 0 HB3 ARG A 104 -12.702 10.778 0.914 1.00 5.11 H new ATOM 0 HG2 ARG A 104 -10.773 12.072 -0.001 1.00 74.45 H new ATOM 0 HG3 ARG A 104 -10.746 11.021 -1.403 1.00 74.45 H new ATOM 0 HD2 ARG A 104 -11.974 13.037 -1.971 1.00 23.02 H new ATOM 0 HD3 ARG A 104 -13.095 11.690 -1.935 1.00 23.02 H new ATOM 0 HE ARG A 104 -13.352 12.638 0.606 1.00 31.22 H new ATOM 0 HH11 ARG A 104 -13.306 14.239 -2.539 1.00 63.22 H new ATOM 0 HH12 ARG A 104 -14.368 15.551 -2.017 1.00 63.22 H new ATOM 0 HH21 ARG A 104 -14.715 14.327 1.271 1.00 73.44 H new ATOM 0 HH22 ARG A 104 -15.163 15.601 0.131 1.00 73.44 H new ATOM 1696 N ARG A 105 -8.759 10.116 1.554 1.00 22.31 N ATOM 1697 CA ARG A 105 -7.752 10.882 2.277 1.00 1.22 C ATOM 1698 C ARG A 105 -6.374 10.699 1.647 1.00 54.34 C ATOM 1699 O ARG A 105 -6.231 10.031 0.623 1.00 11.45 O ATOM 1700 CB ARG A 105 -7.712 10.455 3.746 1.00 72.31 C ATOM 1701 CG ARG A 105 -8.723 11.182 4.619 1.00 2.11 C ATOM 1702 CD ARG A 105 -8.338 11.116 6.089 1.00 42.44 C ATOM 1703 NE ARG A 105 -8.636 9.812 6.675 1.00 51.34 N ATOM 1704 CZ ARG A 105 -8.627 9.575 7.981 1.00 1.11 C ATOM 1705 NH1 ARG A 105 -8.336 10.549 8.834 1.00 72.41 N ATOM 1706 NH2 ARG A 105 -8.909 8.362 8.439 1.00 73.12 N ATOM 0 H ARG A 105 -8.379 9.412 0.922 1.00 22.31 H new ATOM 0 HA ARG A 105 -8.023 11.936 2.219 1.00 1.22 H new ATOM 0 HB2 ARG A 105 -7.895 9.382 3.809 1.00 72.31 H new ATOM 0 HB3 ARG A 105 -6.711 10.631 4.140 1.00 72.31 H new ATOM 0 HG2 ARG A 105 -8.793 12.224 4.306 1.00 2.11 H new ATOM 0 HG3 ARG A 105 -9.710 10.741 4.480 1.00 2.11 H new ATOM 0 HD2 ARG A 105 -7.274 11.326 6.195 1.00 42.44 H new ATOM 0 HD3 ARG A 105 -8.872 11.891 6.639 1.00 42.44 H new ATOM 0 HE ARG A 105 -8.863 9.041 6.047 1.00 51.34 H new ATOM 0 HH11 ARG A 105 -8.118 11.483 8.487 1.00 72.41 H new ATOM 0 HH12 ARG A 105 -8.330 10.364 9.837 1.00 72.41 H new ATOM 0 HH21 ARG A 105 -9.133 7.610 7.787 1.00 73.12 H new ATOM 0 HH22 ARG A 105 -8.902 8.181 9.443 1.00 73.12 H new ATOM 1720 N PHE A 106 -5.362 11.301 2.266 1.00 23.21 N ATOM 1721 CA PHE A 106 -3.995 11.207 1.764 1.00 33.44 C ATOM 1722 C PHE A 106 -3.350 9.891 2.190 1.00 64.43 C ATOM 1723 O PHE A 106 -4.001 9.030 2.783 1.00 10.34 O ATOM 1724 CB PHE A 106 -3.162 12.384 2.272 1.00 12.34 C ATOM 1725 CG PHE A 106 -3.952 13.650 2.440 1.00 12.42 C ATOM 1726 CD1 PHE A 106 -4.393 14.360 1.335 1.00 21.42 C ATOM 1727 CD2 PHE A 106 -4.254 14.132 3.704 1.00 21.44 C ATOM 1728 CE1 PHE A 106 -5.122 15.525 1.486 1.00 24.35 C ATOM 1729 CE2 PHE A 106 -4.982 15.295 3.863 1.00 51.33 C ATOM 1730 CZ PHE A 106 -5.415 15.993 2.752 1.00 75.10 C ATOM 0 H PHE A 106 -5.463 11.858 3.114 1.00 23.21 H new ATOM 0 HA PHE A 106 -4.030 11.239 0.675 1.00 33.44 H new ATOM 0 HB2 PHE A 106 -2.714 12.115 3.229 1.00 12.34 H new ATOM 0 HB3 PHE A 106 -2.343 12.566 1.576 1.00 12.34 H new ATOM 0 HD1 PHE A 106 -4.164 13.999 0.343 1.00 21.42 H new ATOM 0 HD2 PHE A 106 -3.916 13.591 4.576 1.00 21.44 H new ATOM 0 HE1 PHE A 106 -5.462 16.068 0.616 1.00 24.35 H new ATOM 0 HE2 PHE A 106 -5.212 15.658 4.854 1.00 51.33 H new ATOM 0 HZ PHE A 106 -5.982 16.904 2.873 1.00 75.10 H new ATOM 1740 N TYR A 107 -2.067 9.741 1.880 1.00 51.22 N ATOM 1741 CA TYR A 107 -1.333 8.530 2.226 1.00 70.52 C ATOM 1742 C TYR A 107 0.155 8.823 2.388 1.00 22.05 C ATOM 1743 O TYR A 107 0.761 9.502 1.560 1.00 70.02 O ATOM 1744 CB TYR A 107 -1.539 7.459 1.153 1.00 53.11 C ATOM 1745 CG TYR A 107 -1.415 7.985 -0.259 1.00 34.11 C ATOM 1746 CD1 TYR A 107 -0.170 8.169 -0.846 1.00 42.04 C ATOM 1747 CD2 TYR A 107 -2.544 8.299 -1.006 1.00 42.11 C ATOM 1748 CE1 TYR A 107 -0.051 8.650 -2.135 1.00 52.44 C ATOM 1749 CE2 TYR A 107 -2.436 8.779 -2.297 1.00 63.03 C ATOM 1750 CZ TYR A 107 -1.187 8.953 -2.857 1.00 50.10 C ATOM 1751 OH TYR A 107 -1.075 9.433 -4.142 1.00 71.22 O ATOM 0 H TYR A 107 -1.514 10.444 1.389 1.00 51.22 H new ATOM 0 HA TYR A 107 -1.718 8.161 3.177 1.00 70.52 H new ATOM 0 HB2 TYR A 107 -0.809 6.663 1.301 1.00 53.11 H new ATOM 0 HB3 TYR A 107 -2.526 7.014 1.281 1.00 53.11 H new ATOM 0 HD1 TYR A 107 0.721 7.932 -0.284 1.00 42.04 H new ATOM 0 HD2 TYR A 107 -3.523 8.165 -0.570 1.00 42.11 H new ATOM 0 HE1 TYR A 107 0.925 8.788 -2.575 1.00 52.44 H new ATOM 0 HE2 TYR A 107 -3.324 9.017 -2.864 1.00 63.03 H new ATOM 0 HH TYR A 107 -0.263 9.073 -4.556 1.00 71.22 H new ATOM 1761 N VAL A 108 0.740 8.304 3.464 1.00 55.11 N ATOM 1762 CA VAL A 108 2.157 8.507 3.737 1.00 13.54 C ATOM 1763 C VAL A 108 2.978 7.295 3.310 1.00 21.20 C ATOM 1764 O VAL A 108 2.987 6.268 3.989 1.00 42.23 O ATOM 1765 CB VAL A 108 2.408 8.782 5.231 1.00 13.35 C ATOM 1766 CG1 VAL A 108 3.899 8.845 5.521 1.00 22.12 C ATOM 1767 CG2 VAL A 108 1.719 10.070 5.659 1.00 72.33 C ATOM 0 H VAL A 108 0.253 7.740 4.160 1.00 55.11 H new ATOM 0 HA VAL A 108 2.469 9.376 3.158 1.00 13.54 H new ATOM 0 HB VAL A 108 1.985 7.960 5.809 1.00 13.35 H new ATOM 0 HG11 VAL A 108 4.055 9.040 6.582 1.00 22.12 H new ATOM 0 HG12 VAL A 108 4.362 7.895 5.255 1.00 22.12 H new ATOM 0 HG13 VAL A 108 4.350 9.645 4.935 1.00 22.12 H new ATOM 0 HG21 VAL A 108 1.907 10.249 6.718 1.00 72.33 H new ATOM 0 HG22 VAL A 108 2.110 10.903 5.075 1.00 72.33 H new ATOM 0 HG23 VAL A 108 0.646 9.982 5.491 1.00 72.33 H new ATOM 1777 N VAL A 109 3.667 7.422 2.181 1.00 21.11 N ATOM 1778 CA VAL A 109 4.493 6.338 1.663 1.00 22.43 C ATOM 1779 C VAL A 109 5.971 6.712 1.689 1.00 53.05 C ATOM 1780 O VAL A 109 6.327 7.884 1.566 1.00 21.55 O ATOM 1781 CB VAL A 109 4.094 5.965 0.223 1.00 10.34 C ATOM 1782 CG1 VAL A 109 4.661 4.606 -0.154 1.00 70.52 C ATOM 1783 CG2 VAL A 109 2.581 5.982 0.070 1.00 73.22 C ATOM 0 H VAL A 109 3.670 8.265 1.607 1.00 21.11 H new ATOM 0 HA VAL A 109 4.327 5.478 2.311 1.00 22.43 H new ATOM 0 HB VAL A 109 4.514 6.707 -0.456 1.00 10.34 H new ATOM 0 HG11 VAL A 109 4.368 4.360 -1.175 1.00 70.52 H new ATOM 0 HG12 VAL A 109 5.748 4.634 -0.085 1.00 70.52 H new ATOM 0 HG13 VAL A 109 4.273 3.848 0.527 1.00 70.52 H new ATOM 0 HG21 VAL A 109 2.316 5.716 -0.953 1.00 73.22 H new ATOM 0 HG22 VAL A 109 2.138 5.262 0.758 1.00 73.22 H new ATOM 0 HG23 VAL A 109 2.204 6.980 0.295 1.00 73.22 H new ATOM 1793 N ALA A 110 6.828 5.708 1.847 1.00 54.15 N ATOM 1794 CA ALA A 110 8.267 5.932 1.885 1.00 3.12 C ATOM 1795 C ALA A 110 8.946 5.352 0.649 1.00 25.24 C ATOM 1796 O ALA A 110 9.189 4.147 0.570 1.00 73.22 O ATOM 1797 CB ALA A 110 8.862 5.327 3.149 1.00 53.31 C ATOM 0 H ALA A 110 6.550 4.732 1.951 1.00 54.15 H new ATOM 0 HA ALA A 110 8.442 7.008 1.892 1.00 3.12 H new ATOM 0 HB1 ALA A 110 9.938 5.502 3.164 1.00 53.31 H new ATOM 0 HB2 ALA A 110 8.406 5.791 4.024 1.00 53.31 H new ATOM 0 HB3 ALA A 110 8.668 4.254 3.165 1.00 53.31 H new ATOM 1803 N CYS A 111 9.250 6.216 -0.313 1.00 63.43 N ATOM 1804 CA CYS A 111 9.900 5.790 -1.547 1.00 5.43 C ATOM 1805 C CYS A 111 11.419 5.838 -1.406 1.00 14.01 C ATOM 1806 O CYS A 111 11.960 6.696 -0.709 1.00 45.42 O ATOM 1807 CB CYS A 111 9.457 6.675 -2.713 1.00 72.30 C ATOM 1808 SG CYS A 111 7.711 6.459 -3.188 1.00 43.43 S ATOM 0 H CYS A 111 9.057 7.216 -0.262 1.00 63.43 H new ATOM 0 HA CYS A 111 9.604 4.761 -1.748 1.00 5.43 H new ATOM 0 HB2 CYS A 111 9.624 7.719 -2.447 1.00 72.30 H new ATOM 0 HB3 CYS A 111 10.087 6.462 -3.577 1.00 72.30 H new ATOM 1813 N ASP A 112 12.099 4.912 -2.073 1.00 52.13 N ATOM 1814 CA ASP A 112 13.555 4.850 -2.024 1.00 3.22 C ATOM 1815 C ASP A 112 14.123 4.357 -3.351 1.00 74.04 C ATOM 1816 O ASP A 112 13.485 3.580 -4.060 1.00 25.23 O ATOM 1817 CB ASP A 112 14.009 3.930 -0.889 1.00 4.01 C ATOM 1818 CG ASP A 112 15.333 4.361 -0.290 1.00 11.30 C ATOM 1819 OD1 ASP A 112 15.319 5.164 0.667 1.00 32.04 O ATOM 1820 OD2 ASP A 112 16.384 3.895 -0.777 1.00 23.02 O ATOM 0 H ASP A 112 11.665 4.194 -2.654 1.00 52.13 H new ATOM 0 HA ASP A 112 13.931 5.856 -1.839 1.00 3.22 H new ATOM 0 HB2 ASP A 112 13.248 3.917 -0.109 1.00 4.01 H new ATOM 0 HB3 ASP A 112 14.098 2.911 -1.265 1.00 4.01 H new ATOM 1825 N ASN A 113 15.325 4.819 -3.683 1.00 22.54 N ATOM 1826 CA ASN A 113 15.978 4.426 -4.926 1.00 23.13 C ATOM 1827 C ASN A 113 16.053 2.907 -5.046 1.00 21.44 C ATOM 1828 O ASN A 113 16.993 2.282 -4.555 1.00 60.21 O ATOM 1829 CB ASN A 113 17.384 5.025 -5.000 1.00 11.45 C ATOM 1830 CG ASN A 113 17.386 6.526 -4.778 1.00 35.54 C ATOM 1831 OD1 ASN A 113 16.407 7.209 -5.078 1.00 42.13 O ATOM 1832 ND2 ASN A 113 18.488 7.044 -4.249 1.00 12.41 N ATOM 0 H ASN A 113 15.866 5.466 -3.109 1.00 22.54 H new ATOM 0 HA ASN A 113 15.383 4.809 -5.755 1.00 23.13 H new ATOM 0 HB2 ASN A 113 18.018 4.549 -4.252 1.00 11.45 H new ATOM 0 HB3 ASN A 113 17.819 4.804 -5.975 1.00 11.45 H new ATOM 0 HD21 ASN A 113 18.547 8.047 -4.075 1.00 12.41 H new ATOM 0 HD22 ASN A 113 19.275 6.439 -4.016 1.00 12.41 H new ATOM 1839 N ARG A 114 15.056 2.320 -5.701 1.00 45.34 N ATOM 1840 CA ARG A 114 15.010 0.875 -5.885 1.00 74.11 C ATOM 1841 C ARG A 114 15.682 0.471 -7.195 1.00 4.55 C ATOM 1842 O ARG A 114 16.115 1.323 -7.969 1.00 50.45 O ATOM 1843 CB ARG A 114 13.561 0.385 -5.871 1.00 22.33 C ATOM 1844 CG ARG A 114 12.951 0.329 -4.480 1.00 54.21 C ATOM 1845 CD ARG A 114 13.576 -0.773 -3.640 1.00 2.54 C ATOM 1846 NE ARG A 114 13.609 -0.428 -2.221 1.00 41.22 N ATOM 1847 CZ ARG A 114 14.423 -1.004 -1.343 1.00 71.23 C ATOM 1848 NH1 ARG A 114 15.266 -1.949 -1.737 1.00 42.24 N ATOM 1849 NH2 ARG A 114 14.394 -0.636 -0.069 1.00 3.02 N ATOM 0 H ARG A 114 14.270 2.823 -6.113 1.00 45.34 H new ATOM 0 HA ARG A 114 15.552 0.411 -5.061 1.00 74.11 H new ATOM 0 HB2 ARG A 114 12.958 1.043 -6.497 1.00 22.33 H new ATOM 0 HB3 ARG A 114 13.518 -0.608 -6.318 1.00 22.33 H new ATOM 0 HG2 ARG A 114 13.089 1.289 -3.983 1.00 54.21 H new ATOM 0 HG3 ARG A 114 11.877 0.162 -4.559 1.00 54.21 H new ATOM 0 HD2 ARG A 114 13.012 -1.696 -3.776 1.00 2.54 H new ATOM 0 HD3 ARG A 114 14.590 -0.965 -3.990 1.00 2.54 H new ATOM 0 HE ARG A 114 12.972 0.295 -1.886 1.00 41.22 H new ATOM 0 HH11 ARG A 114 15.290 -2.235 -2.716 1.00 42.24 H new ATOM 0 HH12 ARG A 114 15.890 -2.390 -1.061 1.00 42.24 H new ATOM 0 HH21 ARG A 114 13.746 0.090 0.238 1.00 3.02 H new ATOM 0 HH22 ARG A 114 15.019 -1.079 0.604 1.00 3.02 H new ATOM 1863 N ASP A 115 15.766 -0.833 -7.432 1.00 21.22 N ATOM 1864 CA ASP A 115 16.385 -1.350 -8.647 1.00 4.05 C ATOM 1865 C ASP A 115 15.830 -0.647 -9.881 1.00 0.10 C ATOM 1866 O ASP A 115 14.629 -0.405 -10.001 1.00 40.23 O ATOM 1867 CB ASP A 115 16.157 -2.859 -8.759 1.00 21.13 C ATOM 1868 CG ASP A 115 17.310 -3.570 -9.440 1.00 15.42 C ATOM 1869 OD1 ASP A 115 17.378 -3.531 -10.686 1.00 44.51 O ATOM 1870 OD2 ASP A 115 18.143 -4.165 -8.726 1.00 24.05 O ATOM 0 H ASP A 115 15.414 -1.551 -6.799 1.00 21.22 H new ATOM 0 HA ASP A 115 17.456 -1.155 -8.591 1.00 4.05 H new ATOM 0 HB2 ASP A 115 16.014 -3.277 -7.762 1.00 21.13 H new ATOM 0 HB3 ASP A 115 15.239 -3.044 -9.317 1.00 21.13 H new ATOM 1875 N PRO A 116 16.725 -0.307 -10.821 1.00 64.42 N ATOM 1876 CA PRO A 116 16.348 0.375 -12.063 1.00 25.41 C ATOM 1877 C PRO A 116 15.556 -0.529 -13.003 1.00 10.12 C ATOM 1878 O PRO A 116 15.207 -0.131 -14.115 1.00 52.30 O ATOM 1879 CB PRO A 116 17.696 0.745 -12.687 1.00 72.54 C ATOM 1880 CG PRO A 116 18.656 -0.252 -12.134 1.00 55.34 C ATOM 1881 CD PRO A 116 18.173 -0.564 -10.745 1.00 33.40 C ATOM 0 HA PRO A 116 15.699 1.231 -11.878 1.00 25.41 H new ATOM 0 HB2 PRO A 116 17.656 0.695 -13.775 1.00 72.54 H new ATOM 0 HB3 PRO A 116 17.987 1.762 -12.426 1.00 72.54 H new ATOM 0 HG2 PRO A 116 18.683 -1.151 -12.749 1.00 55.34 H new ATOM 0 HG3 PRO A 116 19.669 0.151 -12.114 1.00 55.34 H new ATOM 0 HD2 PRO A 116 18.384 -1.597 -10.469 1.00 33.40 H new ATOM 0 HD3 PRO A 116 18.655 0.069 -10.000 1.00 33.40 H new ATOM 1889 N ARG A 117 15.275 -1.746 -12.549 1.00 34.21 N ATOM 1890 CA ARG A 117 14.524 -2.705 -13.350 1.00 31.21 C ATOM 1891 C ARG A 117 13.049 -2.704 -12.959 1.00 21.02 C ATOM 1892 O ARG A 117 12.189 -3.111 -13.740 1.00 72.24 O ATOM 1893 CB ARG A 117 15.106 -4.109 -13.181 1.00 64.13 C ATOM 1894 CG ARG A 117 14.738 -4.766 -11.861 1.00 24.54 C ATOM 1895 CD ARG A 117 14.629 -6.277 -12.001 1.00 11.10 C ATOM 1896 NE ARG A 117 14.857 -6.962 -10.732 1.00 10.03 N ATOM 1897 CZ ARG A 117 14.900 -8.284 -10.608 1.00 11.22 C ATOM 1898 NH1 ARG A 117 14.733 -9.059 -11.671 1.00 14.40 N ATOM 1899 NH2 ARG A 117 15.112 -8.834 -9.419 1.00 40.41 N ATOM 0 H ARG A 117 15.556 -2.091 -11.631 1.00 34.21 H new ATOM 0 HA ARG A 117 14.605 -2.409 -14.396 1.00 31.21 H new ATOM 0 HB2 ARG A 117 14.758 -4.738 -14.000 1.00 64.13 H new ATOM 0 HB3 ARG A 117 16.192 -4.055 -13.260 1.00 64.13 H new ATOM 0 HG2 ARG A 117 15.490 -4.523 -11.110 1.00 24.54 H new ATOM 0 HG3 ARG A 117 13.790 -4.363 -11.505 1.00 24.54 H new ATOM 0 HD2 ARG A 117 13.640 -6.536 -12.380 1.00 11.10 H new ATOM 0 HD3 ARG A 117 15.354 -6.626 -12.737 1.00 11.10 H new ATOM 0 HE ARG A 117 14.991 -6.395 -9.895 1.00 10.03 H new ATOM 0 HH11 ARG A 117 14.571 -8.640 -12.587 1.00 14.40 H new ATOM 0 HH12 ARG A 117 14.767 -10.074 -11.573 1.00 14.40 H new ATOM 0 HH21 ARG A 117 15.242 -8.242 -8.599 1.00 40.41 H new ATOM 0 HH22 ARG A 117 15.145 -9.849 -9.325 1.00 40.41 H new ATOM 1913 N ASP A 118 12.765 -2.244 -11.746 1.00 32.14 N ATOM 1914 CA ASP A 118 11.394 -2.190 -11.250 1.00 51.54 C ATOM 1915 C ASP A 118 10.657 -0.985 -11.825 1.00 55.20 C ATOM 1916 O ASP A 118 9.533 -1.107 -12.314 1.00 41.21 O ATOM 1917 CB ASP A 118 11.383 -2.129 -9.722 1.00 54.20 C ATOM 1918 CG ASP A 118 11.479 -3.502 -9.088 1.00 32.23 C ATOM 1919 OD1 ASP A 118 11.174 -4.497 -9.778 1.00 24.20 O ATOM 1920 OD2 ASP A 118 11.857 -3.582 -7.899 1.00 70.23 O ATOM 0 H ASP A 118 13.465 -1.903 -11.088 1.00 32.14 H new ATOM 0 HA ASP A 118 10.881 -3.096 -11.572 1.00 51.54 H new ATOM 0 HB2 ASP A 118 12.216 -1.515 -9.380 1.00 54.20 H new ATOM 0 HB3 ASP A 118 10.468 -1.640 -9.387 1.00 54.20 H new ATOM 1925 N SER A 119 11.295 0.180 -11.761 1.00 62.41 N ATOM 1926 CA SER A 119 10.698 1.408 -12.270 1.00 72.34 C ATOM 1927 C SER A 119 11.697 2.186 -13.122 1.00 20.51 C ATOM 1928 O SER A 119 12.558 2.904 -12.614 1.00 72.13 O ATOM 1929 CB SER A 119 10.209 2.281 -11.113 1.00 1.11 C ATOM 1930 OG SER A 119 9.411 3.353 -11.584 1.00 35.25 O ATOM 0 H SER A 119 12.226 0.298 -11.361 1.00 62.41 H new ATOM 0 HA SER A 119 9.847 1.136 -12.895 1.00 72.34 H new ATOM 0 HB2 SER A 119 9.633 1.675 -10.414 1.00 1.11 H new ATOM 0 HB3 SER A 119 11.064 2.674 -10.564 1.00 1.11 H new ATOM 0 HG SER A 119 8.574 3.386 -11.075 1.00 35.25 H new ATOM 1936 N PRO A 120 11.580 2.039 -14.451 1.00 2.51 N ATOM 1937 CA PRO A 120 12.464 2.720 -15.402 1.00 63.13 C ATOM 1938 C PRO A 120 12.218 4.224 -15.448 1.00 64.12 C ATOM 1939 O PRO A 120 13.150 5.018 -15.326 1.00 45.45 O ATOM 1940 CB PRO A 120 12.102 2.078 -16.744 1.00 22.31 C ATOM 1941 CG PRO A 120 10.701 1.600 -16.569 1.00 65.23 C ATOM 1942 CD PRO A 120 10.577 1.198 -15.125 1.00 42.44 C ATOM 0 HA PRO A 120 13.514 2.612 -15.131 1.00 63.13 H new ATOM 0 HB2 PRO A 120 12.176 2.797 -17.560 1.00 22.31 H new ATOM 0 HB3 PRO A 120 12.775 1.254 -16.983 1.00 22.31 H new ATOM 0 HG2 PRO A 120 9.987 2.385 -16.818 1.00 65.23 H new ATOM 0 HG3 PRO A 120 10.491 0.757 -17.228 1.00 65.23 H new ATOM 0 HD2 PRO A 120 9.574 1.383 -14.741 1.00 42.44 H new ATOM 0 HD3 PRO A 120 10.782 0.137 -14.984 1.00 42.44 H new ATOM 1950 N ARG A 121 10.958 4.608 -15.624 1.00 3.14 N ATOM 1951 CA ARG A 121 10.590 6.017 -15.687 1.00 45.40 C ATOM 1952 C ARG A 121 10.871 6.711 -14.357 1.00 52.23 C ATOM 1953 O ARG A 121 11.303 7.864 -14.326 1.00 22.12 O ATOM 1954 CB ARG A 121 9.112 6.166 -16.050 1.00 65.40 C ATOM 1955 CG ARG A 121 8.253 4.997 -15.593 1.00 71.12 C ATOM 1956 CD ARG A 121 8.095 3.959 -16.693 1.00 60.12 C ATOM 1957 NE ARG A 121 6.904 4.197 -17.504 1.00 42.10 N ATOM 1958 CZ ARG A 121 6.284 3.248 -18.196 1.00 30.20 C ATOM 1959 NH1 ARG A 121 6.739 2.003 -18.175 1.00 12.21 N ATOM 1960 NH2 ARG A 121 5.205 3.543 -18.911 1.00 4.21 N ATOM 0 H ARG A 121 10.175 3.963 -15.726 1.00 3.14 H new ATOM 0 HA ARG A 121 11.195 6.490 -16.460 1.00 45.40 H new ATOM 0 HB2 ARG A 121 8.728 7.084 -15.606 1.00 65.40 H new ATOM 0 HB3 ARG A 121 9.021 6.273 -17.131 1.00 65.40 H new ATOM 0 HG2 ARG A 121 8.704 4.533 -14.716 1.00 71.12 H new ATOM 0 HG3 ARG A 121 7.271 5.362 -15.291 1.00 71.12 H new ATOM 0 HD2 ARG A 121 8.977 3.972 -17.333 1.00 60.12 H new ATOM 0 HD3 ARG A 121 8.038 2.965 -16.248 1.00 60.12 H new ATOM 0 HE ARG A 121 6.528 5.144 -17.541 1.00 42.10 H new ATOM 0 HH11 ARG A 121 7.567 1.772 -17.626 1.00 12.21 H new ATOM 0 HH12 ARG A 121 6.261 1.276 -18.707 1.00 12.21 H new ATOM 0 HH21 ARG A 121 4.851 4.499 -18.929 1.00 4.21 H new ATOM 0 HH22 ARG A 121 4.730 2.813 -19.442 1.00 4.21 H new ATOM 1974 N TYR A 122 10.620 6.004 -13.261 1.00 64.41 N ATOM 1975 CA TYR A 122 10.843 6.552 -11.929 1.00 1.02 C ATOM 1976 C TYR A 122 11.994 5.836 -11.230 1.00 15.01 C ATOM 1977 O TYR A 122 11.983 4.618 -11.050 1.00 3.24 O ATOM 1978 CB TYR A 122 9.570 6.438 -11.088 1.00 61.44 C ATOM 1979 CG TYR A 122 8.309 6.784 -11.848 1.00 50.43 C ATOM 1980 CD1 TYR A 122 7.908 8.105 -12.002 1.00 52.31 C ATOM 1981 CD2 TYR A 122 7.520 5.790 -12.414 1.00 13.51 C ATOM 1982 CE1 TYR A 122 6.757 8.427 -12.695 1.00 2.21 C ATOM 1983 CE2 TYR A 122 6.368 6.102 -13.109 1.00 73.02 C ATOM 1984 CZ TYR A 122 5.990 7.421 -13.247 1.00 2.52 C ATOM 1985 OH TYR A 122 4.844 7.738 -13.939 1.00 32.42 O ATOM 0 H TYR A 122 10.262 5.049 -13.269 1.00 64.41 H new ATOM 0 HA TYR A 122 11.106 7.604 -12.037 1.00 1.02 H new ATOM 0 HB2 TYR A 122 9.487 5.420 -10.706 1.00 61.44 H new ATOM 0 HB3 TYR A 122 9.655 7.096 -10.224 1.00 61.44 H new ATOM 0 HD1 TYR A 122 8.507 8.894 -11.572 1.00 52.31 H new ATOM 0 HD2 TYR A 122 7.813 4.756 -12.309 1.00 13.51 H new ATOM 0 HE1 TYR A 122 6.459 9.459 -12.804 1.00 2.21 H new ATOM 0 HE2 TYR A 122 5.766 5.317 -13.542 1.00 73.02 H new ATOM 0 HH TYR A 122 4.685 7.066 -14.634 1.00 32.42 H new ATOM 1995 N PRO A 123 13.012 6.609 -10.824 1.00 73.52 N ATOM 1996 CA PRO A 123 14.189 6.072 -10.136 1.00 63.21 C ATOM 1997 C PRO A 123 13.867 5.588 -8.727 1.00 23.30 C ATOM 1998 O PRO A 123 14.521 4.685 -8.205 1.00 70.10 O ATOM 1999 CB PRO A 123 15.146 7.266 -10.087 1.00 25.44 C ATOM 2000 CG PRO A 123 14.263 8.462 -10.149 1.00 51.12 C ATOM 2001 CD PRO A 123 13.091 8.069 -11.006 1.00 21.21 C ATOM 0 HA PRO A 123 14.598 5.201 -10.648 1.00 63.21 H new ATOM 0 HB2 PRO A 123 15.740 7.260 -9.173 1.00 25.44 H new ATOM 0 HB3 PRO A 123 15.846 7.247 -10.922 1.00 25.44 H new ATOM 0 HG2 PRO A 123 13.936 8.757 -9.152 1.00 51.12 H new ATOM 0 HG3 PRO A 123 14.791 9.315 -10.577 1.00 51.12 H new ATOM 0 HD2 PRO A 123 12.174 8.564 -10.686 1.00 21.21 H new ATOM 0 HD3 PRO A 123 13.249 8.336 -12.051 1.00 21.21 H new ATOM 2009 N VAL A 124 12.855 6.194 -8.115 1.00 52.35 N ATOM 2010 CA VAL A 124 12.444 5.824 -6.766 1.00 64.33 C ATOM 2011 C VAL A 124 11.042 5.227 -6.762 1.00 54.14 C ATOM 2012 O VAL A 124 10.230 5.516 -7.643 1.00 44.40 O ATOM 2013 CB VAL A 124 12.478 7.036 -5.816 1.00 75.40 C ATOM 2014 CG1 VAL A 124 11.132 7.744 -5.807 1.00 13.10 C ATOM 2015 CG2 VAL A 124 12.871 6.602 -4.413 1.00 3.35 C ATOM 0 H VAL A 124 12.304 6.944 -8.532 1.00 52.35 H new ATOM 0 HA VAL A 124 13.154 5.076 -6.413 1.00 64.33 H new ATOM 0 HB VAL A 124 13.229 7.739 -6.177 1.00 75.40 H new ATOM 0 HG11 VAL A 124 11.174 8.598 -5.131 1.00 13.10 H new ATOM 0 HG12 VAL A 124 10.896 8.090 -6.813 1.00 13.10 H new ATOM 0 HG13 VAL A 124 10.359 7.053 -5.471 1.00 13.10 H new ATOM 0 HG21 VAL A 124 12.890 7.471 -3.755 1.00 3.35 H new ATOM 0 HG22 VAL A 124 12.146 5.880 -4.039 1.00 3.35 H new ATOM 0 HG23 VAL A 124 13.860 6.144 -4.437 1.00 3.35 H new ATOM 2025 N VAL A 125 10.760 4.395 -5.766 1.00 1.14 N ATOM 2026 CA VAL A 125 9.454 3.759 -5.645 1.00 41.00 C ATOM 2027 C VAL A 125 9.104 3.492 -4.185 1.00 40.35 C ATOM 2028 O VAL A 125 9.976 3.316 -3.334 1.00 42.31 O ATOM 2029 CB VAL A 125 9.403 2.431 -6.424 1.00 10.42 C ATOM 2030 CG1 VAL A 125 9.546 2.681 -7.917 1.00 53.03 C ATOM 2031 CG2 VAL A 125 10.482 1.481 -5.929 1.00 3.24 C ATOM 0 H VAL A 125 11.420 4.145 -5.029 1.00 1.14 H new ATOM 0 HA VAL A 125 8.726 4.450 -6.069 1.00 41.00 H new ATOM 0 HB VAL A 125 8.433 1.965 -6.249 1.00 10.42 H new ATOM 0 HG11 VAL A 125 9.508 1.731 -8.450 1.00 53.03 H new ATOM 0 HG12 VAL A 125 8.733 3.322 -8.258 1.00 53.03 H new ATOM 0 HG13 VAL A 125 10.500 3.170 -8.114 1.00 53.03 H new ATOM 0 HG21 VAL A 125 10.431 0.548 -6.491 1.00 3.24 H new ATOM 0 HG22 VAL A 125 11.462 1.937 -6.071 1.00 3.24 H new ATOM 0 HG23 VAL A 125 10.328 1.276 -4.870 1.00 3.24 H new ATOM 2041 N PRO A 126 7.798 3.463 -3.886 1.00 33.32 N ATOM 2042 CA PRO A 126 7.301 3.218 -2.529 1.00 42.10 C ATOM 2043 C PRO A 126 7.539 1.781 -2.075 1.00 74.44 C ATOM 2044 O PRO A 126 7.264 0.834 -2.812 1.00 32.42 O ATOM 2045 CB PRO A 126 5.801 3.502 -2.643 1.00 2.43 C ATOM 2046 CG PRO A 126 5.478 3.262 -4.077 1.00 13.20 C ATOM 2047 CD PRO A 126 6.702 3.665 -4.851 1.00 24.25 C ATOM 0 HA PRO A 126 7.810 3.837 -1.791 1.00 42.10 H new ATOM 0 HB2 PRO A 126 5.223 2.846 -1.992 1.00 2.43 H new ATOM 0 HB3 PRO A 126 5.569 4.526 -2.351 1.00 2.43 H new ATOM 0 HG2 PRO A 126 5.233 2.214 -4.252 1.00 13.20 H new ATOM 0 HG3 PRO A 126 4.612 3.847 -4.385 1.00 13.20 H new ATOM 0 HD2 PRO A 126 6.834 3.052 -5.743 1.00 24.25 H new ATOM 0 HD3 PRO A 126 6.645 4.702 -5.183 1.00 24.25 H new ATOM 2055 N VAL A 127 8.050 1.627 -0.858 1.00 35.43 N ATOM 2056 CA VAL A 127 8.322 0.305 -0.306 1.00 2.04 C ATOM 2057 C VAL A 127 7.832 0.199 1.134 1.00 1.02 C ATOM 2058 O VAL A 127 8.153 -0.756 1.842 1.00 34.33 O ATOM 2059 CB VAL A 127 9.827 -0.022 -0.349 1.00 50.13 C ATOM 2060 CG1 VAL A 127 10.352 0.069 -1.774 1.00 61.22 C ATOM 2061 CG2 VAL A 127 10.601 0.907 0.572 1.00 14.24 C ATOM 0 H VAL A 127 8.284 2.401 -0.236 1.00 35.43 H new ATOM 0 HA VAL A 127 7.783 -0.413 -0.924 1.00 2.04 H new ATOM 0 HB VAL A 127 9.969 -1.044 0.002 1.00 50.13 H new ATOM 0 HG11 VAL A 127 11.417 -0.165 -1.785 1.00 61.22 H new ATOM 0 HG12 VAL A 127 9.818 -0.641 -2.405 1.00 61.22 H new ATOM 0 HG13 VAL A 127 10.199 1.079 -2.154 1.00 61.22 H new ATOM 0 HG21 VAL A 127 11.662 0.661 0.529 1.00 14.24 H new ATOM 0 HG22 VAL A 127 10.454 1.939 0.254 1.00 14.24 H new ATOM 0 HG23 VAL A 127 10.242 0.788 1.594 1.00 14.24 H new ATOM 2071 N HIS A 128 7.052 1.187 1.562 1.00 31.42 N ATOM 2072 CA HIS A 128 6.516 1.205 2.918 1.00 23.42 C ATOM 2073 C HIS A 128 5.389 2.226 3.043 1.00 11.33 C ATOM 2074 O HIS A 128 5.497 3.349 2.549 1.00 11.21 O ATOM 2075 CB HIS A 128 7.623 1.524 3.922 1.00 0.24 C ATOM 2076 CG HIS A 128 7.122 2.143 5.190 1.00 33.13 C ATOM 2077 ND1 HIS A 128 6.425 3.285 5.404 1.00 3.12 N flip ATOM 2078 CD2 HIS A 128 7.321 1.581 6.434 1.00 61.02 C flip ATOM 2079 CE1 HIS A 128 6.219 3.390 6.756 1.00 5.41 C flip ATOM 2080 NE2 HIS A 128 6.768 2.349 7.356 1.00 21.15 N flip ATOM 0 H HIS A 128 6.777 1.985 0.989 1.00 31.42 H new ATOM 0 HA HIS A 128 6.112 0.216 3.136 1.00 23.42 H new ATOM 0 HB2 HIS A 128 8.159 0.606 4.163 1.00 0.24 H new ATOM 0 HB3 HIS A 128 8.341 2.200 3.456 1.00 0.24 H new ATOM 0 HD2 HIS A 128 7.847 0.657 6.625 1.00 61.02 H new ATOM 0 HE1 HIS A 128 5.693 4.194 7.250 1.00 5.41 H new ATOM 0 HE2 HIS A 128 6.765 2.169 8.360 1.00 21.15 H new ATOM 2089 N LEU A 129 4.309 1.829 3.706 1.00 52.12 N ATOM 2090 CA LEU A 129 3.161 2.709 3.896 1.00 40.11 C ATOM 2091 C LEU A 129 2.915 2.970 5.379 1.00 42.31 C ATOM 2092 O LEU A 129 2.572 2.058 6.132 1.00 44.15 O ATOM 2093 CB LEU A 129 1.913 2.096 3.260 1.00 73.10 C ATOM 2094 CG LEU A 129 0.839 3.084 2.802 1.00 71.32 C ATOM 2095 CD1 LEU A 129 0.018 3.569 3.986 1.00 74.10 C ATOM 2096 CD2 LEU A 129 1.473 4.260 2.072 1.00 3.42 C ATOM 0 H LEU A 129 4.204 0.903 4.121 1.00 52.12 H new ATOM 0 HA LEU A 129 3.379 3.660 3.410 1.00 40.11 H new ATOM 0 HB2 LEU A 129 2.222 1.502 2.400 1.00 73.10 H new ATOM 0 HB3 LEU A 129 1.464 1.409 3.977 1.00 73.10 H new ATOM 0 HG LEU A 129 0.171 2.570 2.111 1.00 71.32 H new ATOM 0 HD11 LEU A 129 -0.741 4.271 3.640 1.00 74.10 H new ATOM 0 HD12 LEU A 129 -0.467 2.719 4.466 1.00 74.10 H new ATOM 0 HD13 LEU A 129 0.672 4.066 4.703 1.00 74.10 H new ATOM 0 HD21 LEU A 129 0.694 4.953 1.753 1.00 3.42 H new ATOM 0 HD22 LEU A 129 2.164 4.773 2.740 1.00 3.42 H new ATOM 0 HD23 LEU A 129 2.015 3.897 1.199 1.00 3.42 H new ATOM 2108 N ASP A 130 3.090 4.222 5.791 1.00 22.22 N ATOM 2109 CA ASP A 130 2.883 4.604 7.183 1.00 25.11 C ATOM 2110 C ASP A 130 1.402 4.557 7.546 1.00 43.15 C ATOM 2111 O ASP A 130 0.994 3.824 8.447 1.00 63.41 O ATOM 2112 CB ASP A 130 3.440 6.006 7.436 1.00 32.14 C ATOM 2113 CG ASP A 130 3.981 6.167 8.843 1.00 64.04 C ATOM 2114 OD1 ASP A 130 3.174 6.155 9.796 1.00 64.14 O ATOM 2115 OD2 ASP A 130 5.214 6.306 8.991 1.00 22.55 O ATOM 0 H ASP A 130 3.374 4.988 5.181 1.00 22.22 H new ATOM 0 HA ASP A 130 3.414 3.891 7.813 1.00 25.11 H new ATOM 0 HB2 ASP A 130 4.234 6.214 6.718 1.00 32.14 H new ATOM 0 HB3 ASP A 130 2.655 6.742 7.265 1.00 32.14 H new ATOM 2120 N THR A 131 0.599 5.346 6.838 1.00 43.45 N ATOM 2121 CA THR A 131 -0.836 5.398 7.086 1.00 5.20 C ATOM 2122 C THR A 131 -1.547 6.237 6.031 1.00 65.34 C ATOM 2123 O THR A 131 -0.931 6.697 5.069 1.00 64.03 O ATOM 2124 CB THR A 131 -1.144 5.977 8.479 1.00 34.43 C ATOM 2125 OG1 THR A 131 -2.528 5.785 8.793 1.00 0.21 O ATOM 2126 CG2 THR A 131 -0.806 7.458 8.537 1.00 51.44 C ATOM 0 H THR A 131 0.919 5.958 6.088 1.00 43.45 H new ATOM 0 HA THR A 131 -1.202 4.373 7.037 1.00 5.20 H new ATOM 0 HB THR A 131 -0.529 5.453 9.211 1.00 34.43 H new ATOM 0 HG1 THR A 131 -2.716 6.154 9.681 1.00 0.21 H new ATOM 0 HG21 THR A 131 -1.032 7.844 9.531 1.00 51.44 H new ATOM 0 HG22 THR A 131 0.254 7.598 8.326 1.00 51.44 H new ATOM 0 HG23 THR A 131 -1.397 7.995 7.796 1.00 51.44 H new ATOM 2134 N THR A 132 -2.848 6.434 6.215 1.00 13.05 N ATOM 2135 CA THR A 132 -3.644 7.218 5.279 1.00 61.03 C ATOM 2136 C THR A 132 -4.445 8.292 6.004 1.00 32.12 C ATOM 2137 O THR A 132 -5.375 7.987 6.753 1.00 21.00 O ATOM 2138 CB THR A 132 -4.609 6.325 4.478 1.00 32.45 C ATOM 2139 OG1 THR A 132 -5.251 5.389 5.353 1.00 72.15 O ATOM 2140 CG2 THR A 132 -3.870 5.575 3.380 1.00 51.32 C ATOM 0 H THR A 132 -3.374 6.061 7.005 1.00 13.05 H new ATOM 0 HA THR A 132 -2.946 7.694 4.590 1.00 61.03 H new ATOM 0 HB THR A 132 -5.360 6.965 4.016 1.00 32.45 H new ATOM 0 HG1 THR A 132 -5.565 5.854 6.156 1.00 72.15 H new ATOM 0 HG21 THR A 132 -4.573 4.951 2.829 1.00 51.32 H new ATOM 0 HG22 THR A 132 -3.408 6.290 2.699 1.00 51.32 H new ATOM 0 HG23 THR A 132 -3.099 4.946 3.825 1.00 51.32 H new ATOM 2148 N ILE A 133 -4.082 9.549 5.777 1.00 55.13 N ATOM 2149 CA ILE A 133 -4.770 10.669 6.408 1.00 55.13 C ATOM 2150 C ILE A 133 -5.108 11.752 5.387 1.00 33.34 C ATOM 2151 O ILE A 133 -5.696 12.778 5.728 1.00 60.33 O ATOM 2152 CB ILE A 133 -3.922 11.288 7.534 1.00 11.02 C ATOM 2153 CG1 ILE A 133 -3.301 10.188 8.397 1.00 4.54 C ATOM 2154 CG2 ILE A 133 -4.772 12.220 8.386 1.00 52.14 C ATOM 2155 CD1 ILE A 133 -1.985 10.587 9.029 1.00 14.11 C ATOM 0 H ILE A 133 -3.315 9.818 5.161 1.00 55.13 H new ATOM 0 HA ILE A 133 -5.692 10.274 6.834 1.00 55.13 H new ATOM 0 HB ILE A 133 -3.117 11.870 7.085 1.00 11.02 H new ATOM 0 HG12 ILE A 133 -4.004 9.914 9.183 1.00 4.54 H new ATOM 0 HG13 ILE A 133 -3.146 9.300 7.784 1.00 4.54 H new ATOM 0 HG21 ILE A 133 -4.159 12.650 9.178 1.00 52.14 H new ATOM 0 HG22 ILE A 133 -5.172 13.019 7.762 1.00 52.14 H new ATOM 0 HG23 ILE A 133 -5.595 11.659 8.829 1.00 52.14 H new ATOM 0 HD11 ILE A 133 -1.603 9.759 9.626 1.00 14.11 H new ATOM 0 HD12 ILE A 133 -1.266 10.833 8.248 1.00 14.11 H new ATOM 0 HD13 ILE A 133 -2.137 11.456 9.669 1.00 14.11 H new TER 2167 ILE A 133