USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 972 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 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 98 GLN : amide:sc= -0.92 K(o=-1.6,f=1.7) USER MOD Set 1.3: A 100 THR OG1 : rot -140:sc= 0 USER MOD Set 1.4: A 105 GLN : amide:sc= -0.699 K(o=-1.6,f=1.7) USER MOD Set 2.1: A 26 GLN : amide:sc= 1.36 K(o=2.6,f=-0.32) USER MOD Set 2.2: A 95 TYR OH : rot -122:sc= 1.2 USER MOD Single : A 1 MET CE :methyl 137:sc= -0.132 (180deg=-0.745) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -1.61! C(o=-1.6!,f=-6.4!) USER MOD Single : A 5 THR OG1 : rot -140:sc= -0.189 USER MOD Single : A 8 CYS SG : rot 94:sc= -5.29! USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= -0.0642 (180deg=-0.331) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 20 CYS SG : rot 44:sc= -2.01! USER MOD Single : A 25 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.091) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.187 K(o=-0.19,f=-0.97) USER MOD Single : A 38 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.059) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 83:sc= -0.0445 USER MOD Single : A 44 ASN : amide:sc= -0.412 K(o=-0.41,f=-6.3!) USER MOD Single : A 50 GLN : amide:sc= -0.294! X(o=-0.29!,f=-0.12) USER MOD Single : A 52 SER OG : rot 20:sc= 0.488 USER MOD Single : A 55 SER OG : rot -30:sc= 1.15 USER MOD Single : A 62 HIS : no HD1:sc= -0.554 X(o=-0.55,f=-0.074) USER MOD Single : A 63 GLN : amide:sc= -1.27! K(o=-1.3!,f=-0.03) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -127:sc= 1.01 (180deg=-1.79!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0.341 X(o=0.34,f=-0.02) USER MOD Single : A 76 HIS : no HE2:sc= 0.998 K(o=1,f=-5.8!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -96:sc= 1.82 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.00154 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.037 K(o=-0.037,f=-1.6!) USER MOD Single : A 103 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.5) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.38 K(o=0.38,f=-0.47) USER MOD Single : A 118 SER OG : rot -34:sc= 0.335 USER MOD Single : A 119 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.5!) USER MOD Single : A 125 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=0) USER MOD Single : A 126 HIS : no HD1:sc= -0.599 X(o=-0.6,f=-0.21) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc=-0.00531 X(o=-0.0053,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0295 X(o=-0.029,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.122 -8.611 4.969 1.00 5.51 N ATOM 2 CA MET A 1 -21.784 -8.965 4.444 1.00 41.12 C ATOM 3 C MET A 1 -21.747 -8.817 2.929 1.00 24.42 C ATOM 4 O MET A 1 -22.045 -9.758 2.193 1.00 13.10 O ATOM 5 CB MET A 1 -21.413 -10.398 4.839 1.00 44.23 C ATOM 6 CG MET A 1 -20.010 -10.808 4.413 1.00 45.20 C ATOM 7 SD MET A 1 -19.635 -12.528 4.815 1.00 41.13 S ATOM 8 CE MET A 1 -20.838 -13.382 3.797 1.00 45.24 C ATOM 0 H1 MET A 1 -23.128 -8.718 6.003 1.00 5.51 H new ATOM 0 H2 MET A 1 -23.342 -7.625 4.721 1.00 5.51 H new ATOM 0 H3 MET A 1 -23.837 -9.241 4.552 1.00 5.51 H new ATOM 0 HA MET A 1 -21.056 -8.281 4.881 1.00 41.12 H new ATOM 0 HB2 MET A 1 -21.499 -10.501 5.921 1.00 44.23 H new ATOM 0 HB3 MET A 1 -22.133 -11.085 4.395 1.00 44.23 H new ATOM 0 HG2 MET A 1 -19.903 -10.658 3.339 1.00 45.20 H new ATOM 0 HG3 MET A 1 -19.282 -10.158 4.900 1.00 45.20 H new ATOM 0 HE1 MET A 1 -20.365 -14.238 3.316 1.00 45.24 H new ATOM 0 HE2 MET A 1 -21.663 -13.726 4.420 1.00 45.24 H new ATOM 0 HE3 MET A 1 -21.218 -12.702 3.035 1.00 45.24 H new ATOM 20 N SER A 2 -21.416 -7.621 2.471 1.00 70.34 N ATOM 21 CA SER A 2 -21.261 -7.358 1.050 1.00 22.15 C ATOM 22 C SER A 2 -19.848 -7.719 0.599 1.00 20.44 C ATOM 23 O SER A 2 -19.174 -8.518 1.253 1.00 34.42 O ATOM 24 CB SER A 2 -21.559 -5.889 0.765 1.00 42.31 C ATOM 25 OG SER A 2 -22.918 -5.588 1.032 1.00 73.11 O ATOM 0 H SER A 2 -21.248 -6.811 3.068 1.00 70.34 H new ATOM 0 HA SER A 2 -21.965 -7.974 0.491 1.00 22.15 H new ATOM 0 HB2 SER A 2 -20.915 -5.258 1.378 1.00 42.31 H new ATOM 0 HB3 SER A 2 -21.330 -5.663 -0.276 1.00 42.31 H new ATOM 0 HG SER A 2 -23.086 -4.641 0.844 1.00 73.11 H new ATOM 31 N GLN A 3 -19.405 -7.145 -0.519 1.00 74.25 N ATOM 32 CA GLN A 3 -18.064 -7.405 -1.032 1.00 53.31 C ATOM 33 C GLN A 3 -16.996 -6.766 -0.148 1.00 30.45 C ATOM 34 O GLN A 3 -16.454 -5.704 -0.467 1.00 60.42 O ATOM 35 CB GLN A 3 -17.925 -6.908 -2.472 1.00 45.45 C ATOM 36 CG GLN A 3 -18.752 -7.698 -3.476 1.00 45.41 C ATOM 37 CD GLN A 3 -18.276 -9.133 -3.644 1.00 54.14 C ATOM 38 OE1 GLN A 3 -17.750 -9.753 -2.718 1.00 2.20 O ATOM 39 NE2 GLN A 3 -18.468 -9.676 -4.835 1.00 60.24 N ATOM 0 H GLN A 3 -19.955 -6.499 -1.085 1.00 74.25 H new ATOM 0 HA GLN A 3 -17.913 -8.484 -1.019 1.00 53.31 H new ATOM 0 HB2 GLN A 3 -18.222 -5.860 -2.515 1.00 45.45 H new ATOM 0 HB3 GLN A 3 -16.876 -6.954 -2.763 1.00 45.45 H new ATOM 0 HG2 GLN A 3 -19.794 -7.702 -3.156 1.00 45.41 H new ATOM 0 HG3 GLN A 3 -18.717 -7.195 -4.442 1.00 45.41 H new ATOM 0 HE21 GLN A 3 -18.907 -9.133 -5.578 1.00 60.24 H new ATOM 0 HE22 GLN A 3 -18.177 -10.638 -5.010 1.00 60.24 H new ATOM 48 N TRP A 4 -16.729 -7.411 0.977 1.00 22.14 N ATOM 49 CA TRP A 4 -15.686 -6.984 1.889 1.00 22.52 C ATOM 50 C TRP A 4 -14.614 -8.056 1.968 1.00 34.53 C ATOM 51 O TRP A 4 -14.757 -9.035 2.697 1.00 73.12 O ATOM 52 CB TRP A 4 -16.255 -6.724 3.286 1.00 22.42 C ATOM 53 CG TRP A 4 -17.228 -5.590 3.344 1.00 61.00 C ATOM 54 CD1 TRP A 4 -18.590 -5.668 3.269 1.00 64.32 C ATOM 55 CD2 TRP A 4 -16.913 -4.204 3.495 1.00 64.40 C ATOM 56 NE1 TRP A 4 -19.138 -4.413 3.359 1.00 64.35 N ATOM 57 CE2 TRP A 4 -18.130 -3.499 3.498 1.00 71.13 C ATOM 58 CE3 TRP A 4 -15.721 -3.491 3.625 1.00 41.54 C ATOM 59 CZ2 TRP A 4 -18.187 -2.117 3.630 1.00 4.20 C ATOM 60 CZ3 TRP A 4 -15.778 -2.118 3.756 1.00 11.23 C ATOM 61 CH2 TRP A 4 -17.004 -1.444 3.755 1.00 74.02 C ATOM 0 H TRP A 4 -17.231 -8.245 1.281 1.00 22.14 H new ATOM 0 HA TRP A 4 -15.256 -6.055 1.514 1.00 22.52 H new ATOM 0 HB2 TRP A 4 -16.746 -7.630 3.641 1.00 22.42 H new ATOM 0 HB3 TRP A 4 -15.432 -6.518 3.970 1.00 22.42 H new ATOM 0 HD1 TRP A 4 -19.153 -6.583 3.156 1.00 64.32 H new ATOM 0 HE1 TRP A 4 -20.134 -4.197 3.327 1.00 64.35 H new ATOM 0 HE3 TRP A 4 -14.771 -4.004 3.623 1.00 41.54 H new ATOM 0 HZ2 TRP A 4 -19.132 -1.594 3.634 1.00 4.20 H new ATOM 0 HZ3 TRP A 4 -14.862 -1.555 3.861 1.00 11.23 H new ATOM 0 HH2 TRP A 4 -17.016 -0.369 3.855 1.00 74.02 H new ATOM 72 N THR A 5 -13.559 -7.887 1.195 1.00 60.41 N ATOM 73 CA THR A 5 -12.494 -8.868 1.148 1.00 64.15 C ATOM 74 C THR A 5 -11.602 -8.752 2.379 1.00 54.35 C ATOM 75 O THR A 5 -11.016 -7.699 2.639 1.00 5.32 O ATOM 76 CB THR A 5 -11.648 -8.701 -0.129 1.00 2.24 C ATOM 77 OG1 THR A 5 -12.501 -8.748 -1.278 1.00 74.21 O ATOM 78 CG2 THR A 5 -10.594 -9.793 -0.235 1.00 2.55 C ATOM 0 H THR A 5 -13.417 -7.078 0.590 1.00 60.41 H new ATOM 0 HA THR A 5 -12.952 -9.857 1.135 1.00 64.15 H new ATOM 0 HB THR A 5 -11.141 -7.737 -0.080 1.00 2.24 H new ATOM 0 HG1 THR A 5 -12.061 -9.256 -1.991 1.00 74.21 H new ATOM 0 HG21 THR A 5 -10.012 -9.650 -1.146 1.00 2.55 H new ATOM 0 HG22 THR A 5 -9.932 -9.745 0.630 1.00 2.55 H new ATOM 0 HG23 THR A 5 -11.081 -10.767 -0.265 1.00 2.55 H new ATOM 86 N THR A 6 -11.536 -9.825 3.153 1.00 2.23 N ATOM 87 CA THR A 6 -10.656 -9.880 4.305 1.00 51.51 C ATOM 88 C THR A 6 -9.202 -9.913 3.842 1.00 62.32 C ATOM 89 O THR A 6 -8.764 -10.875 3.210 1.00 22.55 O ATOM 90 CB THR A 6 -10.957 -11.118 5.165 1.00 34.32 C ATOM 91 OG1 THR A 6 -12.366 -11.194 5.432 1.00 12.30 O ATOM 92 CG2 THR A 6 -10.188 -11.066 6.477 1.00 4.02 C ATOM 0 H THR A 6 -12.085 -10.671 3.001 1.00 2.23 H new ATOM 0 HA THR A 6 -10.825 -8.990 4.912 1.00 51.51 H new ATOM 0 HB THR A 6 -10.642 -12.004 4.614 1.00 34.32 H new ATOM 0 HG1 THR A 6 -12.553 -11.985 5.979 1.00 12.30 H new ATOM 0 HG21 THR A 6 -10.417 -11.952 7.068 1.00 4.02 H new ATOM 0 HG22 THR A 6 -9.118 -11.034 6.271 1.00 4.02 H new ATOM 0 HG23 THR A 6 -10.477 -10.174 7.033 1.00 4.02 H new ATOM 100 N VAL A 7 -8.471 -8.849 4.136 1.00 14.41 N ATOM 101 CA VAL A 7 -7.095 -8.717 3.679 1.00 12.51 C ATOM 102 C VAL A 7 -6.117 -9.276 4.704 1.00 34.04 C ATOM 103 O VAL A 7 -5.438 -10.273 4.459 1.00 63.22 O ATOM 104 CB VAL A 7 -6.737 -7.241 3.402 1.00 63.33 C ATOM 105 CG1 VAL A 7 -5.306 -7.114 2.905 1.00 63.43 C ATOM 106 CG2 VAL A 7 -7.702 -6.635 2.399 1.00 63.11 C ATOM 0 H VAL A 7 -8.808 -8.062 4.690 1.00 14.41 H new ATOM 0 HA VAL A 7 -7.014 -9.288 2.754 1.00 12.51 H new ATOM 0 HB VAL A 7 -6.823 -6.692 4.340 1.00 63.33 H new ATOM 0 HG11 VAL A 7 -5.078 -6.065 2.717 1.00 63.43 H new ATOM 0 HG12 VAL A 7 -4.623 -7.504 3.659 1.00 63.43 H new ATOM 0 HG13 VAL A 7 -5.190 -7.682 1.982 1.00 63.43 H new ATOM 0 HG21 VAL A 7 -7.432 -5.595 2.218 1.00 63.11 H new ATOM 0 HG22 VAL A 7 -7.651 -7.192 1.463 1.00 63.11 H new ATOM 0 HG23 VAL A 7 -8.716 -6.683 2.795 1.00 63.11 H new ATOM 116 N CYS A 8 -6.064 -8.638 5.858 1.00 14.13 N ATOM 117 CA CYS A 8 -5.066 -8.965 6.858 1.00 52.14 C ATOM 118 C CYS A 8 -5.698 -9.077 8.239 1.00 51.15 C ATOM 119 O CYS A 8 -6.844 -8.670 8.439 1.00 53.14 O ATOM 120 CB CYS A 8 -3.975 -7.892 6.845 1.00 20.12 C ATOM 121 SG CYS A 8 -2.747 -8.047 8.160 1.00 64.35 S ATOM 0 H CYS A 8 -6.702 -7.889 6.126 1.00 14.13 H new ATOM 0 HA CYS A 8 -4.623 -9.933 6.621 1.00 52.14 H new ATOM 0 HB2 CYS A 8 -3.463 -7.925 5.883 1.00 20.12 H new ATOM 0 HB3 CYS A 8 -4.447 -6.912 6.921 1.00 20.12 H new ATOM 0 HG CYS A 8 -1.730 -8.730 7.725 1.00 64.35 H new ATOM 127 N LYS A 9 -4.937 -9.620 9.186 1.00 4.11 N ATOM 128 CA LYS A 9 -5.400 -9.790 10.554 1.00 61.23 C ATOM 129 C LYS A 9 -5.175 -8.526 11.342 1.00 33.33 C ATOM 130 O LYS A 9 -5.422 -8.481 12.545 1.00 63.13 O ATOM 131 CB LYS A 9 -4.638 -10.934 11.228 1.00 53.14 C ATOM 132 CG LYS A 9 -5.393 -11.618 12.356 1.00 54.33 C ATOM 133 CD LYS A 9 -6.650 -12.309 11.854 1.00 54.35 C ATOM 134 CE LYS A 9 -7.358 -13.059 12.970 1.00 33.13 C ATOM 135 NZ LYS A 9 -6.492 -14.105 13.578 1.00 53.34 N ATOM 0 H LYS A 9 -3.986 -9.952 9.024 1.00 4.11 H new ATOM 0 HA LYS A 9 -6.465 -10.020 10.529 1.00 61.23 H new ATOM 0 HB2 LYS A 9 -4.385 -11.679 10.474 1.00 53.14 H new ATOM 0 HB3 LYS A 9 -3.698 -10.546 11.620 1.00 53.14 H new ATOM 0 HG2 LYS A 9 -4.744 -12.349 12.837 1.00 54.33 H new ATOM 0 HG3 LYS A 9 -5.661 -10.882 13.114 1.00 54.33 H new ATOM 0 HD2 LYS A 9 -7.326 -11.569 11.425 1.00 54.35 H new ATOM 0 HD3 LYS A 9 -6.390 -13.004 11.055 1.00 54.35 H new ATOM 0 HE2 LYS A 9 -7.669 -12.353 13.740 1.00 33.13 H new ATOM 0 HE3 LYS A 9 -8.264 -13.522 12.578 1.00 33.13 H new ATOM 0 HZ1 LYS A 9 -7.078 -14.762 14.131 1.00 53.34 H new ATOM 0 HZ2 LYS A 9 -6.000 -14.629 12.826 1.00 53.34 H new ATOM 0 HZ3 LYS A 9 -5.792 -13.656 14.202 1.00 53.34 H new ATOM 149 N LEU A 10 -4.676 -7.520 10.647 1.00 34.42 N ATOM 150 CA LEU A 10 -4.297 -6.246 11.235 1.00 11.05 C ATOM 151 C LEU A 10 -3.025 -6.386 12.076 1.00 33.34 C ATOM 152 O LEU A 10 -2.131 -5.542 12.027 1.00 71.11 O ATOM 153 CB LEU A 10 -5.437 -5.656 12.075 1.00 4.54 C ATOM 154 CG LEU A 10 -5.115 -4.349 12.802 1.00 25.44 C ATOM 155 CD1 LEU A 10 -4.805 -3.247 11.809 1.00 64.04 C ATOM 156 CD2 LEU A 10 -6.270 -3.942 13.696 1.00 3.14 C ATOM 0 H LEU A 10 -4.520 -7.565 9.640 1.00 34.42 H new ATOM 0 HA LEU A 10 -4.092 -5.556 10.416 1.00 11.05 H new ATOM 0 HB2 LEU A 10 -6.294 -5.487 11.423 1.00 4.54 H new ATOM 0 HB3 LEU A 10 -5.740 -6.397 12.815 1.00 4.54 H new ATOM 0 HG LEU A 10 -4.234 -4.511 13.423 1.00 25.44 H new ATOM 0 HD11 LEU A 10 -4.579 -2.326 12.346 1.00 64.04 H new ATOM 0 HD12 LEU A 10 -3.946 -3.534 11.203 1.00 64.04 H new ATOM 0 HD13 LEU A 10 -5.668 -3.087 11.162 1.00 64.04 H new ATOM 0 HD21 LEU A 10 -6.025 -3.010 14.206 1.00 3.14 H new ATOM 0 HD22 LEU A 10 -7.166 -3.800 13.091 1.00 3.14 H new ATOM 0 HD23 LEU A 10 -6.451 -4.723 14.435 1.00 3.14 H new ATOM 168 N ASP A 11 -2.949 -7.483 12.810 1.00 71.04 N ATOM 169 CA ASP A 11 -1.866 -7.743 13.737 1.00 70.03 C ATOM 170 C ASP A 11 -0.590 -8.122 13.001 1.00 63.41 C ATOM 171 O ASP A 11 0.507 -7.803 13.452 1.00 11.52 O ATOM 172 CB ASP A 11 -2.275 -8.854 14.707 1.00 63.03 C ATOM 173 CG ASP A 11 -1.184 -9.209 15.694 1.00 2.35 C ATOM 174 OD1 ASP A 11 -0.693 -8.305 16.403 1.00 60.32 O ATOM 175 OD2 ASP A 11 -0.826 -10.402 15.783 1.00 54.21 O ATOM 0 H ASP A 11 -3.647 -8.226 12.777 1.00 71.04 H new ATOM 0 HA ASP A 11 -1.665 -6.831 14.299 1.00 70.03 H new ATOM 0 HB2 ASP A 11 -3.165 -8.542 15.254 1.00 63.03 H new ATOM 0 HB3 ASP A 11 -2.546 -9.743 14.138 1.00 63.03 H new ATOM 180 N ASP A 12 -0.721 -8.793 11.857 1.00 51.53 N ATOM 181 CA ASP A 12 0.462 -9.128 11.070 1.00 0.51 C ATOM 182 C ASP A 12 0.868 -7.971 10.155 1.00 31.25 C ATOM 183 O ASP A 12 1.736 -8.127 9.295 1.00 53.10 O ATOM 184 CB ASP A 12 0.267 -10.423 10.269 1.00 2.40 C ATOM 185 CG ASP A 12 -0.867 -10.361 9.265 1.00 54.35 C ATOM 186 OD1 ASP A 12 -2.011 -10.707 9.632 1.00 55.22 O ATOM 187 OD2 ASP A 12 -0.620 -9.999 8.098 1.00 54.44 O ATOM 0 H ASP A 12 -1.608 -9.107 11.464 1.00 51.53 H new ATOM 0 HA ASP A 12 1.276 -9.300 11.774 1.00 0.51 H new ATOM 0 HB2 ASP A 12 1.193 -10.656 9.743 1.00 2.40 H new ATOM 0 HB3 ASP A 12 0.080 -11.243 10.963 1.00 2.40 H new ATOM 192 N ILE A 13 0.248 -6.806 10.349 1.00 63.22 N ATOM 193 CA ILE A 13 0.702 -5.588 9.678 1.00 33.21 C ATOM 194 C ILE A 13 1.727 -4.870 10.552 1.00 61.02 C ATOM 195 O ILE A 13 1.484 -4.628 11.738 1.00 41.01 O ATOM 196 CB ILE A 13 -0.458 -4.613 9.352 1.00 41.14 C ATOM 197 CG1 ILE A 13 -1.407 -5.221 8.324 1.00 43.04 C ATOM 198 CG2 ILE A 13 0.079 -3.284 8.836 1.00 30.34 C ATOM 199 CD1 ILE A 13 -0.760 -5.509 6.983 1.00 11.41 C ATOM 0 H ILE A 13 -0.561 -6.681 10.958 1.00 63.22 H new ATOM 0 HA ILE A 13 1.148 -5.895 8.732 1.00 33.21 H new ATOM 0 HB ILE A 13 -1.009 -4.434 10.275 1.00 41.14 H new ATOM 0 HG12 ILE A 13 -1.816 -6.148 8.725 1.00 43.04 H new ATOM 0 HG13 ILE A 13 -2.246 -4.542 8.173 1.00 43.04 H new ATOM 0 HG21 ILE A 13 -0.754 -2.617 8.614 1.00 30.34 H new ATOM 0 HG22 ILE A 13 0.716 -2.830 9.595 1.00 30.34 H new ATOM 0 HG23 ILE A 13 0.660 -3.454 7.929 1.00 30.34 H new ATOM 0 HD11 ILE A 13 -1.499 -5.940 6.307 1.00 11.41 H new ATOM 0 HD12 ILE A 13 -0.376 -4.582 6.558 1.00 11.41 H new ATOM 0 HD13 ILE A 13 0.061 -6.213 7.119 1.00 11.41 H new ATOM 211 N LEU A 14 2.869 -4.536 9.964 1.00 52.22 N ATOM 212 CA LEU A 14 3.954 -3.887 10.690 1.00 20.00 C ATOM 213 C LEU A 14 3.590 -2.451 11.065 1.00 12.22 C ATOM 214 O LEU A 14 3.200 -1.654 10.210 1.00 21.31 O ATOM 215 CB LEU A 14 5.225 -3.897 9.841 1.00 71.10 C ATOM 216 CG LEU A 14 5.709 -5.282 9.408 1.00 20.45 C ATOM 217 CD1 LEU A 14 6.960 -5.164 8.553 1.00 22.21 C ATOM 218 CD2 LEU A 14 5.980 -6.159 10.622 1.00 62.11 C ATOM 0 H LEU A 14 3.069 -4.706 8.978 1.00 52.22 H new ATOM 0 HA LEU A 14 4.126 -4.443 11.611 1.00 20.00 H new ATOM 0 HB2 LEU A 14 5.051 -3.295 8.949 1.00 71.10 H new ATOM 0 HB3 LEU A 14 6.022 -3.411 10.403 1.00 71.10 H new ATOM 0 HG LEU A 14 4.923 -5.749 8.814 1.00 20.45 H new ATOM 0 HD11 LEU A 14 7.291 -6.158 8.253 1.00 22.21 H new ATOM 0 HD12 LEU A 14 6.739 -4.572 7.665 1.00 22.21 H new ATOM 0 HD13 LEU A 14 7.748 -4.677 9.127 1.00 22.21 H new ATOM 0 HD21 LEU A 14 6.323 -7.140 10.293 1.00 62.11 H new ATOM 0 HD22 LEU A 14 6.747 -5.695 11.242 1.00 62.11 H new ATOM 0 HD23 LEU A 14 5.064 -6.271 11.202 1.00 62.11 H new ATOM 230 N PRO A 15 3.698 -2.110 12.359 1.00 3.51 N ATOM 231 CA PRO A 15 3.419 -0.756 12.851 1.00 5.44 C ATOM 232 C PRO A 15 4.405 0.277 12.308 1.00 45.42 C ATOM 233 O PRO A 15 5.624 0.112 12.419 1.00 32.42 O ATOM 234 CB PRO A 15 3.559 -0.885 14.369 1.00 3.14 C ATOM 235 CG PRO A 15 4.402 -2.096 14.583 1.00 12.00 C ATOM 236 CD PRO A 15 4.095 -3.023 13.444 1.00 4.22 C ATOM 0 HA PRO A 15 2.437 -0.406 12.532 1.00 5.44 H new ATOM 0 HB2 PRO A 15 4.027 0.001 14.798 1.00 3.14 H new ATOM 0 HB3 PRO A 15 2.585 -0.994 14.846 1.00 3.14 H new ATOM 0 HG2 PRO A 15 5.460 -1.836 14.600 1.00 12.00 H new ATOM 0 HG3 PRO A 15 4.174 -2.565 15.540 1.00 12.00 H new ATOM 0 HD2 PRO A 15 4.963 -3.622 13.168 1.00 4.22 H new ATOM 0 HD3 PRO A 15 3.295 -3.719 13.697 1.00 4.22 H new ATOM 244 N GLY A 16 3.866 1.335 11.719 1.00 1.51 N ATOM 245 CA GLY A 16 4.688 2.364 11.117 1.00 0.11 C ATOM 246 C GLY A 16 5.114 1.986 9.717 1.00 70.30 C ATOM 247 O GLY A 16 6.187 2.386 9.260 1.00 51.44 O ATOM 0 H GLY A 16 2.862 1.499 11.647 1.00 1.51 H new ATOM 0 HA2 GLY A 16 4.135 3.303 11.089 1.00 0.11 H new ATOM 0 HA3 GLY A 16 5.571 2.533 11.734 1.00 0.11 H new ATOM 251 N THR A 17 4.274 1.224 9.021 1.00 2.12 N ATOM 252 CA THR A 17 4.649 0.695 7.713 1.00 23.03 C ATOM 253 C THR A 17 3.419 0.511 6.828 1.00 70.24 C ATOM 254 O THR A 17 2.290 0.690 7.279 1.00 50.44 O ATOM 255 CB THR A 17 5.371 -0.665 7.850 1.00 1.54 C ATOM 256 OG1 THR A 17 6.086 -0.722 9.092 1.00 63.02 O ATOM 257 CG2 THR A 17 6.355 -0.881 6.704 1.00 3.22 C ATOM 0 H THR A 17 3.340 0.961 9.336 1.00 2.12 H new ATOM 0 HA THR A 17 5.324 1.418 7.254 1.00 23.03 H new ATOM 0 HB THR A 17 4.613 -1.448 7.821 1.00 1.54 H new ATOM 0 HG1 THR A 17 6.538 -1.588 9.170 1.00 63.02 H new ATOM 0 HG21 THR A 17 6.849 -1.845 6.825 1.00 3.22 H new ATOM 0 HG22 THR A 17 5.818 -0.865 5.756 1.00 3.22 H new ATOM 0 HG23 THR A 17 7.102 -0.087 6.711 1.00 3.22 H new ATOM 265 N GLY A 18 3.651 0.153 5.575 1.00 51.34 N ATOM 266 CA GLY A 18 2.574 -0.132 4.647 1.00 20.23 C ATOM 267 C GLY A 18 3.004 -1.192 3.659 1.00 75.21 C ATOM 268 O GLY A 18 4.168 -1.215 3.262 1.00 1.44 O ATOM 0 H GLY A 18 4.585 0.053 5.177 1.00 51.34 H new ATOM 0 HA2 GLY A 18 1.693 -0.469 5.193 1.00 20.23 H new ATOM 0 HA3 GLY A 18 2.291 0.777 4.116 1.00 20.23 H new ATOM 272 N VAL A 19 2.100 -2.085 3.276 1.00 62.22 N ATOM 273 CA VAL A 19 2.469 -3.179 2.383 1.00 13.31 C ATOM 274 C VAL A 19 1.465 -3.378 1.255 1.00 54.32 C ATOM 275 O VAL A 19 0.265 -3.146 1.426 1.00 43.51 O ATOM 276 CB VAL A 19 2.644 -4.518 3.141 1.00 40.12 C ATOM 277 CG1 VAL A 19 3.845 -4.467 4.074 1.00 15.24 C ATOM 278 CG2 VAL A 19 1.377 -4.874 3.911 1.00 73.11 C ATOM 0 H VAL A 19 1.121 -2.076 3.563 1.00 62.22 H new ATOM 0 HA VAL A 19 3.426 -2.885 1.951 1.00 13.31 H new ATOM 0 HB VAL A 19 2.826 -5.299 2.403 1.00 40.12 H new ATOM 0 HG11 VAL A 19 3.943 -5.421 4.593 1.00 15.24 H new ATOM 0 HG12 VAL A 19 4.748 -4.274 3.495 1.00 15.24 H new ATOM 0 HG13 VAL A 19 3.705 -3.670 4.804 1.00 15.24 H new ATOM 0 HG21 VAL A 19 1.523 -5.818 4.436 1.00 73.11 H new ATOM 0 HG22 VAL A 19 1.157 -4.088 4.633 1.00 73.11 H new ATOM 0 HG23 VAL A 19 0.544 -4.971 3.215 1.00 73.11 H new ATOM 288 N CYS A 20 1.972 -3.794 0.097 1.00 62.31 N ATOM 289 CA CYS A 20 1.134 -4.133 -1.033 1.00 22.43 C ATOM 290 C CYS A 20 0.466 -5.488 -0.822 1.00 52.43 C ATOM 291 O CYS A 20 1.123 -6.531 -0.791 1.00 22.13 O ATOM 292 CB CYS A 20 1.978 -4.141 -2.309 1.00 44.54 C ATOM 293 SG CYS A 20 3.570 -4.981 -2.126 1.00 52.04 S ATOM 0 H CYS A 20 2.971 -3.903 -0.077 1.00 62.31 H new ATOM 0 HA CYS A 20 0.347 -3.385 -1.130 1.00 22.43 H new ATOM 0 HB2 CYS A 20 1.412 -4.625 -3.105 1.00 44.54 H new ATOM 0 HB3 CYS A 20 2.154 -3.112 -2.623 1.00 44.54 H new ATOM 0 HG CYS A 20 3.403 -6.087 -1.463 1.00 52.04 H new ATOM 299 N ALA A 21 -0.841 -5.466 -0.651 1.00 61.10 N ATOM 300 CA ALA A 21 -1.609 -6.681 -0.489 1.00 34.34 C ATOM 301 C ALA A 21 -2.050 -7.198 -1.847 1.00 30.32 C ATOM 302 O ALA A 21 -2.885 -6.583 -2.518 1.00 3.22 O ATOM 303 CB ALA A 21 -2.813 -6.430 0.406 1.00 21.21 C ATOM 0 H ALA A 21 -1.396 -4.611 -0.621 1.00 61.10 H new ATOM 0 HA ALA A 21 -0.983 -7.436 -0.014 1.00 34.34 H new ATOM 0 HB1 ALA A 21 -3.381 -7.353 0.519 1.00 21.21 H new ATOM 0 HB2 ALA A 21 -2.474 -6.091 1.385 1.00 21.21 H new ATOM 0 HB3 ALA A 21 -3.447 -5.666 -0.043 1.00 21.21 H new ATOM 309 N LEU A 22 -1.460 -8.306 -2.263 1.00 12.21 N ATOM 310 CA LEU A 22 -1.812 -8.926 -3.525 1.00 64.22 C ATOM 311 C LEU A 22 -3.172 -9.590 -3.396 1.00 22.11 C ATOM 312 O LEU A 22 -3.307 -10.650 -2.780 1.00 53.00 O ATOM 313 CB LEU A 22 -0.736 -9.945 -3.941 1.00 24.52 C ATOM 314 CG LEU A 22 -0.773 -10.416 -5.404 1.00 62.43 C ATOM 315 CD1 LEU A 22 -1.865 -11.451 -5.629 1.00 44.21 C ATOM 316 CD2 LEU A 22 -0.964 -9.234 -6.340 1.00 75.31 C ATOM 0 H LEU A 22 -0.732 -8.795 -1.741 1.00 12.21 H new ATOM 0 HA LEU A 22 -1.865 -8.164 -4.303 1.00 64.22 H new ATOM 0 HB2 LEU A 22 0.243 -9.507 -3.747 1.00 24.52 H new ATOM 0 HB3 LEU A 22 -0.827 -10.820 -3.297 1.00 24.52 H new ATOM 0 HG LEU A 22 0.185 -10.888 -5.624 1.00 62.43 H new ATOM 0 HD11 LEU A 22 -1.862 -11.762 -6.674 1.00 44.21 H new ATOM 0 HD12 LEU A 22 -1.682 -12.317 -4.993 1.00 44.21 H new ATOM 0 HD13 LEU A 22 -2.834 -11.017 -5.382 1.00 44.21 H new ATOM 0 HD21 LEU A 22 -0.988 -9.587 -7.371 1.00 75.31 H new ATOM 0 HD22 LEU A 22 -1.903 -8.733 -6.106 1.00 75.31 H new ATOM 0 HD23 LEU A 22 -0.138 -8.534 -6.215 1.00 75.31 H new ATOM 328 N VAL A 23 -4.180 -8.937 -3.946 1.00 22.12 N ATOM 329 CA VAL A 23 -5.529 -9.459 -3.931 1.00 61.53 C ATOM 330 C VAL A 23 -5.770 -10.222 -5.230 1.00 30.12 C ATOM 331 O VAL A 23 -5.036 -10.030 -6.198 1.00 53.13 O ATOM 332 CB VAL A 23 -6.569 -8.323 -3.768 1.00 41.31 C ATOM 333 CG1 VAL A 23 -7.960 -8.878 -3.506 1.00 3.35 C ATOM 334 CG2 VAL A 23 -6.161 -7.375 -2.648 1.00 30.14 C ATOM 0 H VAL A 23 -4.085 -8.035 -4.413 1.00 22.12 H new ATOM 0 HA VAL A 23 -5.645 -10.128 -3.079 1.00 61.53 H new ATOM 0 HB VAL A 23 -6.598 -7.767 -4.705 1.00 41.31 H new ATOM 0 HG11 VAL A 23 -8.666 -8.054 -3.396 1.00 3.35 H new ATOM 0 HG12 VAL A 23 -8.264 -9.508 -4.342 1.00 3.35 H new ATOM 0 HG13 VAL A 23 -7.949 -9.470 -2.591 1.00 3.35 H new ATOM 0 HG21 VAL A 23 -6.905 -6.585 -2.551 1.00 30.14 H new ATOM 0 HG22 VAL A 23 -6.093 -7.927 -1.711 1.00 30.14 H new ATOM 0 HG23 VAL A 23 -5.192 -6.934 -2.880 1.00 30.14 H new ATOM 344 N GLU A 24 -6.787 -11.075 -5.239 1.00 20.54 N ATOM 345 CA GLU A 24 -7.087 -11.943 -6.377 1.00 22.13 C ATOM 346 C GLU A 24 -7.036 -11.190 -7.710 1.00 75.24 C ATOM 347 O GLU A 24 -6.344 -11.610 -8.639 1.00 74.03 O ATOM 348 CB GLU A 24 -8.458 -12.580 -6.170 1.00 51.54 C ATOM 349 CG GLU A 24 -8.530 -13.429 -4.911 1.00 31.14 C ATOM 350 CD GLU A 24 -9.948 -13.750 -4.500 1.00 70.21 C ATOM 351 OE1 GLU A 24 -10.551 -14.671 -5.081 1.00 13.51 O ATOM 352 OE2 GLU A 24 -10.468 -13.082 -3.579 1.00 43.04 O ATOM 0 H GLU A 24 -7.431 -11.187 -4.456 1.00 20.54 H new ATOM 0 HA GLU A 24 -6.322 -12.717 -6.428 1.00 22.13 H new ATOM 0 HB2 GLU A 24 -9.213 -11.796 -6.118 1.00 51.54 H new ATOM 0 HB3 GLU A 24 -8.700 -13.199 -7.034 1.00 51.54 H new ATOM 0 HG2 GLU A 24 -7.985 -14.359 -5.074 1.00 31.14 H new ATOM 0 HG3 GLU A 24 -8.030 -12.905 -4.096 1.00 31.14 H new ATOM 359 N GLN A 25 -7.768 -10.088 -7.808 1.00 55.05 N ATOM 360 CA GLN A 25 -7.725 -9.253 -9.007 1.00 41.24 C ATOM 361 C GLN A 25 -7.509 -7.783 -8.650 1.00 74.13 C ATOM 362 O GLN A 25 -7.833 -6.892 -9.437 1.00 32.54 O ATOM 363 CB GLN A 25 -9.015 -9.389 -9.829 1.00 43.34 C ATOM 364 CG GLN A 25 -9.142 -10.699 -10.600 1.00 13.42 C ATOM 365 CD GLN A 25 -9.638 -11.858 -9.755 1.00 72.14 C ATOM 366 OE1 GLN A 25 -9.277 -13.010 -9.988 1.00 43.03 O ATOM 367 NE2 GLN A 25 -10.486 -11.571 -8.782 1.00 42.35 N ATOM 0 H GLN A 25 -8.396 -9.751 -7.078 1.00 55.05 H new ATOM 0 HA GLN A 25 -6.884 -9.602 -9.606 1.00 41.24 H new ATOM 0 HB2 GLN A 25 -9.869 -9.293 -9.159 1.00 43.34 H new ATOM 0 HB3 GLN A 25 -9.069 -8.560 -10.535 1.00 43.34 H new ATOM 0 HG2 GLN A 25 -9.825 -10.553 -11.437 1.00 13.42 H new ATOM 0 HG3 GLN A 25 -8.171 -10.958 -11.022 1.00 13.42 H new ATOM 0 HE21 GLN A 25 -10.764 -10.604 -8.617 1.00 42.35 H new ATOM 0 HE22 GLN A 25 -10.862 -12.317 -8.197 1.00 42.35 H new ATOM 376 N GLN A 26 -6.941 -7.526 -7.479 1.00 63.45 N ATOM 377 CA GLN A 26 -6.792 -6.161 -6.993 1.00 73.51 C ATOM 378 C GLN A 26 -5.429 -5.929 -6.342 1.00 54.11 C ATOM 379 O GLN A 26 -4.769 -6.867 -5.898 1.00 61.32 O ATOM 380 CB GLN A 26 -7.902 -5.842 -5.990 1.00 51.32 C ATOM 381 CG GLN A 26 -9.242 -5.512 -6.632 1.00 74.24 C ATOM 382 CD GLN A 26 -9.193 -4.235 -7.454 1.00 44.53 C ATOM 383 OE1 GLN A 26 -9.446 -3.145 -6.944 1.00 54.01 O ATOM 384 NE2 GLN A 26 -8.859 -4.358 -8.729 1.00 55.11 N ATOM 0 H GLN A 26 -6.577 -8.242 -6.850 1.00 63.45 H new ATOM 0 HA GLN A 26 -6.866 -5.497 -7.854 1.00 73.51 H new ATOM 0 HB2 GLN A 26 -8.031 -6.695 -5.323 1.00 51.32 H new ATOM 0 HB3 GLN A 26 -7.589 -4.999 -5.373 1.00 51.32 H new ATOM 0 HG2 GLN A 26 -9.549 -6.340 -7.271 1.00 74.24 H new ATOM 0 HG3 GLN A 26 -9.999 -5.411 -5.854 1.00 74.24 H new ATOM 0 HE21 GLN A 26 -8.656 -5.279 -9.116 1.00 55.11 H new ATOM 0 HE22 GLN A 26 -8.805 -3.531 -9.324 1.00 55.11 H new ATOM 393 N GLN A 27 -5.023 -4.666 -6.293 1.00 50.34 N ATOM 394 CA GLN A 27 -3.782 -4.267 -5.639 1.00 22.52 C ATOM 395 C GLN A 27 -4.044 -3.146 -4.635 1.00 14.21 C ATOM 396 O GLN A 27 -4.246 -1.991 -5.014 1.00 1.55 O ATOM 397 CB GLN A 27 -2.748 -3.803 -6.670 1.00 1.32 C ATOM 398 CG GLN A 27 -2.238 -4.908 -7.582 1.00 31.01 C ATOM 399 CD GLN A 27 -1.280 -4.386 -8.636 1.00 71.34 C ATOM 400 OE1 GLN A 27 -0.071 -4.313 -8.416 1.00 52.20 O ATOM 401 NE2 GLN A 27 -1.816 -4.025 -9.790 1.00 33.21 N ATOM 0 H GLN A 27 -5.543 -3.891 -6.704 1.00 50.34 H new ATOM 0 HA GLN A 27 -3.387 -5.135 -5.111 1.00 22.52 H new ATOM 0 HB2 GLN A 27 -3.190 -3.017 -7.282 1.00 1.32 H new ATOM 0 HB3 GLN A 27 -1.901 -3.361 -6.145 1.00 1.32 H new ATOM 0 HG2 GLN A 27 -1.737 -5.668 -6.983 1.00 31.01 H new ATOM 0 HG3 GLN A 27 -3.083 -5.393 -8.070 1.00 31.01 H new ATOM 0 HE21 GLN A 27 -2.823 -4.102 -9.931 1.00 33.21 H new ATOM 0 HE22 GLN A 27 -1.222 -3.670 -10.539 1.00 33.21 H new ATOM 410 N ILE A 28 -4.063 -3.494 -3.359 1.00 12.02 N ATOM 411 CA ILE A 28 -4.316 -2.526 -2.299 1.00 12.23 C ATOM 412 C ILE A 28 -3.139 -2.486 -1.328 1.00 42.43 C ATOM 413 O ILE A 28 -2.600 -3.521 -0.959 1.00 63.35 O ATOM 414 CB ILE A 28 -5.621 -2.862 -1.527 1.00 34.32 C ATOM 415 CG1 ILE A 28 -6.863 -2.521 -2.359 1.00 54.42 C ATOM 416 CG2 ILE A 28 -5.676 -2.135 -0.195 1.00 3.40 C ATOM 417 CD1 ILE A 28 -7.191 -3.529 -3.438 1.00 0.32 C ATOM 0 H ILE A 28 -3.905 -4.446 -3.028 1.00 12.02 H new ATOM 0 HA ILE A 28 -4.436 -1.547 -2.764 1.00 12.23 H new ATOM 0 HB ILE A 28 -5.614 -3.935 -1.337 1.00 34.32 H new ATOM 0 HG12 ILE A 28 -7.719 -2.432 -1.691 1.00 54.42 H new ATOM 0 HG13 ILE A 28 -6.717 -1.545 -2.823 1.00 54.42 H new ATOM 0 HG21 ILE A 28 -6.601 -2.391 0.321 1.00 3.40 H new ATOM 0 HG22 ILE A 28 -4.825 -2.432 0.417 1.00 3.40 H new ATOM 0 HG23 ILE A 28 -5.642 -1.059 -0.366 1.00 3.40 H new ATOM 0 HD11 ILE A 28 -8.083 -3.209 -3.976 1.00 0.32 H new ATOM 0 HD12 ILE A 28 -6.355 -3.603 -4.133 1.00 0.32 H new ATOM 0 HD13 ILE A 28 -7.372 -4.503 -2.983 1.00 0.32 H new ATOM 429 N ALA A 29 -2.728 -1.287 -0.945 1.00 41.30 N ATOM 430 CA ALA A 29 -1.658 -1.109 0.023 1.00 35.14 C ATOM 431 C ALA A 29 -2.247 -0.798 1.387 1.00 71.34 C ATOM 432 O ALA A 29 -3.158 0.023 1.500 1.00 32.33 O ATOM 433 CB ALA A 29 -0.726 0.007 -0.418 1.00 45.24 C ATOM 0 H ALA A 29 -3.125 -0.415 -1.294 1.00 41.30 H new ATOM 0 HA ALA A 29 -1.081 -2.032 0.088 1.00 35.14 H new ATOM 0 HB1 ALA A 29 0.070 0.128 0.317 1.00 45.24 H new ATOM 0 HB2 ALA A 29 -0.291 -0.243 -1.386 1.00 45.24 H new ATOM 0 HB3 ALA A 29 -1.287 0.938 -0.502 1.00 45.24 H new ATOM 439 N VAL A 30 -1.738 -1.450 2.419 1.00 52.44 N ATOM 440 CA VAL A 30 -2.292 -1.279 3.758 1.00 4.41 C ATOM 441 C VAL A 30 -1.305 -0.541 4.648 1.00 41.41 C ATOM 442 O VAL A 30 -0.272 -1.087 5.032 1.00 55.14 O ATOM 443 CB VAL A 30 -2.656 -2.634 4.409 1.00 40.34 C ATOM 444 CG1 VAL A 30 -3.344 -2.423 5.752 1.00 20.14 C ATOM 445 CG2 VAL A 30 -3.535 -3.464 3.482 1.00 30.51 C ATOM 0 H VAL A 30 -0.951 -2.096 2.361 1.00 52.44 H new ATOM 0 HA VAL A 30 -3.206 -0.694 3.656 1.00 4.41 H new ATOM 0 HB VAL A 30 -1.730 -3.182 4.582 1.00 40.34 H new ATOM 0 HG11 VAL A 30 -3.590 -3.390 6.191 1.00 20.14 H new ATOM 0 HG12 VAL A 30 -2.677 -1.880 6.421 1.00 20.14 H new ATOM 0 HG13 VAL A 30 -4.258 -1.847 5.606 1.00 20.14 H new ATOM 0 HG21 VAL A 30 -3.777 -4.412 3.962 1.00 30.51 H new ATOM 0 HG22 VAL A 30 -4.455 -2.920 3.269 1.00 30.51 H new ATOM 0 HG23 VAL A 30 -3.003 -3.655 2.550 1.00 30.51 H new ATOM 455 N PHE A 31 -1.626 0.702 4.959 1.00 34.12 N ATOM 456 CA PHE A 31 -0.757 1.531 5.774 1.00 64.35 C ATOM 457 C PHE A 31 -1.159 1.433 7.232 1.00 70.01 C ATOM 458 O PHE A 31 -2.327 1.620 7.574 1.00 63.45 O ATOM 459 CB PHE A 31 -0.835 2.998 5.340 1.00 43.23 C ATOM 460 CG PHE A 31 -0.957 3.199 3.860 1.00 43.05 C ATOM 461 CD1 PHE A 31 -0.102 2.560 2.983 1.00 72.01 C ATOM 462 CD2 PHE A 31 -1.934 4.033 3.349 1.00 63.41 C ATOM 463 CE1 PHE A 31 -0.217 2.752 1.623 1.00 31.23 C ATOM 464 CE2 PHE A 31 -2.055 4.230 1.991 1.00 62.23 C ATOM 465 CZ PHE A 31 -1.196 3.585 1.126 1.00 53.35 C ATOM 0 H PHE A 31 -2.486 1.161 4.658 1.00 34.12 H new ATOM 0 HA PHE A 31 0.264 1.172 5.643 1.00 64.35 H new ATOM 0 HB2 PHE A 31 -1.690 3.464 5.830 1.00 43.23 H new ATOM 0 HB3 PHE A 31 0.056 3.517 5.693 1.00 43.23 H new ATOM 0 HD1 PHE A 31 0.664 1.903 3.367 1.00 72.01 H new ATOM 0 HD2 PHE A 31 -2.611 4.537 4.023 1.00 63.41 H new ATOM 0 HE1 PHE A 31 0.460 2.250 0.947 1.00 31.23 H new ATOM 0 HE2 PHE A 31 -2.820 4.887 1.605 1.00 62.23 H new ATOM 0 HZ PHE A 31 -1.290 3.733 0.060 1.00 53.35 H new ATOM 475 N ARG A 32 -0.200 1.136 8.087 1.00 40.42 N ATOM 476 CA ARG A 32 -0.422 1.181 9.517 1.00 10.31 C ATOM 477 C ARG A 32 0.533 2.191 10.128 1.00 3.13 C ATOM 478 O ARG A 32 1.630 1.834 10.533 1.00 33.10 O ATOM 479 CB ARG A 32 -0.224 -0.200 10.152 1.00 61.24 C ATOM 480 CG ARG A 32 -0.826 -0.320 11.544 1.00 45.54 C ATOM 481 CD ARG A 32 -0.659 -1.720 12.113 1.00 23.11 C ATOM 482 NE ARG A 32 -1.462 -1.918 13.321 1.00 3.12 N ATOM 483 CZ ARG A 32 -1.264 -2.897 14.203 1.00 53.51 C ATOM 484 NH1 ARG A 32 -0.275 -3.769 14.031 1.00 0.22 N ATOM 485 NH2 ARG A 32 -2.070 -3.011 15.251 1.00 62.34 N ATOM 0 H ARG A 32 0.743 0.860 7.814 1.00 40.42 H new ATOM 0 HA ARG A 32 -1.452 1.482 9.710 1.00 10.31 H new ATOM 0 HB2 ARG A 32 -0.670 -0.956 9.505 1.00 61.24 H new ATOM 0 HB3 ARG A 32 0.843 -0.417 10.206 1.00 61.24 H new ATOM 0 HG2 ARG A 32 -0.351 0.401 12.209 1.00 45.54 H new ATOM 0 HG3 ARG A 32 -1.886 -0.068 11.505 1.00 45.54 H new ATOM 0 HD2 ARG A 32 -0.948 -2.454 11.361 1.00 23.11 H new ATOM 0 HD3 ARG A 32 0.392 -1.895 12.343 1.00 23.11 H new ATOM 0 HE ARG A 32 -2.223 -1.263 13.499 1.00 3.12 H new ATOM 0 HH11 ARG A 32 0.338 -3.691 13.220 1.00 0.22 H new ATOM 0 HH12 ARG A 32 -0.130 -4.516 14.710 1.00 0.22 H new ATOM 0 HH21 ARG A 32 -2.837 -2.351 15.379 1.00 62.34 H new ATOM 0 HH22 ARG A 32 -1.922 -3.759 15.929 1.00 62.34 H new ATOM 499 N PRO A 33 0.137 3.475 10.161 1.00 13.04 N ATOM 500 CA PRO A 33 1.007 4.566 10.622 1.00 73.45 C ATOM 501 C PRO A 33 1.463 4.368 12.060 1.00 63.12 C ATOM 502 O PRO A 33 2.600 4.675 12.416 1.00 2.23 O ATOM 503 CB PRO A 33 0.122 5.814 10.506 1.00 42.52 C ATOM 504 CG PRO A 33 -0.961 5.436 9.555 1.00 5.12 C ATOM 505 CD PRO A 33 -1.189 3.967 9.754 1.00 22.10 C ATOM 0 HA PRO A 33 1.924 4.628 10.036 1.00 73.45 H new ATOM 0 HB2 PRO A 33 -0.287 6.099 11.476 1.00 42.52 H new ATOM 0 HB3 PRO A 33 0.691 6.667 10.137 1.00 42.52 H new ATOM 0 HG2 PRO A 33 -1.871 6.003 9.754 1.00 5.12 H new ATOM 0 HG3 PRO A 33 -0.670 5.650 8.527 1.00 5.12 H new ATOM 0 HD2 PRO A 33 -1.942 3.776 10.519 1.00 22.10 H new ATOM 0 HD3 PRO A 33 -1.534 3.485 8.839 1.00 22.10 H new ATOM 513 N ARG A 34 0.570 3.839 12.873 1.00 12.32 N ATOM 514 CA ARG A 34 0.864 3.579 14.269 1.00 41.45 C ATOM 515 C ARG A 34 0.400 2.180 14.634 1.00 1.23 C ATOM 516 O ARG A 34 -0.374 1.576 13.894 1.00 32.10 O ATOM 517 CB ARG A 34 0.194 4.629 15.159 1.00 11.52 C ATOM 518 CG ARG A 34 0.756 6.031 14.963 1.00 41.43 C ATOM 519 CD ARG A 34 0.186 7.016 15.965 1.00 62.40 C ATOM 520 NE ARG A 34 -1.213 7.342 15.699 1.00 13.32 N ATOM 521 CZ ARG A 34 -2.198 7.153 16.574 1.00 2.34 C ATOM 522 NH1 ARG A 34 -1.957 6.554 17.733 1.00 32.12 N ATOM 523 NH2 ARG A 34 -3.428 7.557 16.291 1.00 32.23 N ATOM 0 H ARG A 34 -0.374 3.579 12.587 1.00 12.32 H new ATOM 0 HA ARG A 34 1.940 3.643 14.429 1.00 41.45 H new ATOM 0 HB2 ARG A 34 -0.876 4.642 14.952 1.00 11.52 H new ATOM 0 HB3 ARG A 34 0.313 4.340 16.203 1.00 11.52 H new ATOM 0 HG2 ARG A 34 1.841 6.003 15.059 1.00 41.43 H new ATOM 0 HG3 ARG A 34 0.534 6.373 13.952 1.00 41.43 H new ATOM 0 HD2 ARG A 34 0.274 6.600 16.968 1.00 62.40 H new ATOM 0 HD3 ARG A 34 0.778 7.931 15.947 1.00 62.40 H new ATOM 0 HE ARG A 34 -1.449 7.738 14.789 1.00 13.32 H new ATOM 0 HH11 ARG A 34 -1.014 6.236 17.956 1.00 32.12 H new ATOM 0 HH12 ARG A 34 -2.715 6.411 18.401 1.00 32.12 H new ATOM 0 HH21 ARG A 34 -3.622 8.014 15.400 1.00 32.23 H new ATOM 0 HH22 ARG A 34 -4.180 7.410 16.964 1.00 32.23 H new ATOM 537 N ASN A 35 0.877 1.663 15.759 1.00 13.44 N ATOM 538 CA ASN A 35 0.517 0.316 16.201 1.00 64.24 C ATOM 539 C ASN A 35 -0.879 0.319 16.823 1.00 65.45 C ATOM 540 O ASN A 35 -1.074 -0.074 17.973 1.00 61.25 O ATOM 541 CB ASN A 35 1.556 -0.208 17.200 1.00 62.24 C ATOM 542 CG ASN A 35 1.320 -1.654 17.603 1.00 0.30 C ATOM 543 OD1 ASN A 35 0.801 -2.456 16.828 1.00 43.24 O ATOM 544 ND2 ASN A 35 1.711 -1.994 18.821 1.00 20.11 N ATOM 0 H ASN A 35 1.515 2.154 16.385 1.00 13.44 H new ATOM 0 HA ASN A 35 0.505 -0.348 15.337 1.00 64.24 H new ATOM 0 HB2 ASN A 35 2.550 -0.117 16.762 1.00 62.24 H new ATOM 0 HB3 ASN A 35 1.542 0.418 18.092 1.00 62.24 H new ATOM 0 HD21 ASN A 35 1.586 -2.952 19.148 1.00 20.11 H new ATOM 0 HD22 ASN A 35 2.137 -1.298 19.433 1.00 20.11 H new ATOM 551 N ASP A 36 -1.846 0.781 16.049 1.00 13.45 N ATOM 552 CA ASP A 36 -3.219 0.891 16.509 1.00 22.42 C ATOM 553 C ASP A 36 -4.157 0.312 15.465 1.00 41.43 C ATOM 554 O ASP A 36 -3.709 -0.284 14.480 1.00 10.14 O ATOM 555 CB ASP A 36 -3.580 2.355 16.788 1.00 71.43 C ATOM 556 CG ASP A 36 -2.807 2.936 17.956 1.00 30.45 C ATOM 557 OD1 ASP A 36 -3.286 2.829 19.107 1.00 60.41 O ATOM 558 OD2 ASP A 36 -1.719 3.502 17.734 1.00 1.43 O ATOM 0 H ASP A 36 -1.702 1.089 15.087 1.00 13.45 H new ATOM 0 HA ASP A 36 -3.323 0.329 17.437 1.00 22.42 H new ATOM 0 HB2 ASP A 36 -3.384 2.950 15.896 1.00 71.43 H new ATOM 0 HB3 ASP A 36 -4.648 2.429 16.992 1.00 71.43 H new ATOM 563 N GLU A 37 -5.452 0.500 15.673 1.00 64.02 N ATOM 564 CA GLU A 37 -6.462 -0.041 14.777 1.00 44.21 C ATOM 565 C GLU A 37 -6.752 0.924 13.629 1.00 73.10 C ATOM 566 O GLU A 37 -7.586 0.647 12.768 1.00 51.34 O ATOM 567 CB GLU A 37 -7.736 -0.323 15.567 1.00 54.43 C ATOM 568 CG GLU A 37 -7.522 -1.272 16.733 1.00 11.23 C ATOM 569 CD GLU A 37 -8.706 -1.327 17.673 1.00 73.54 C ATOM 570 OE1 GLU A 37 -8.890 -0.368 18.454 1.00 41.34 O ATOM 571 OE2 GLU A 37 -9.440 -2.335 17.659 1.00 51.11 O ATOM 0 H GLU A 37 -5.829 1.027 16.460 1.00 64.02 H new ATOM 0 HA GLU A 37 -6.087 -0.968 14.344 1.00 44.21 H new ATOM 0 HB2 GLU A 37 -8.138 0.618 15.942 1.00 54.43 H new ATOM 0 HB3 GLU A 37 -8.485 -0.745 14.897 1.00 54.43 H new ATOM 0 HG2 GLU A 37 -7.323 -2.272 16.349 1.00 11.23 H new ATOM 0 HG3 GLU A 37 -6.637 -0.962 17.289 1.00 11.23 H new ATOM 578 N GLN A 38 -6.067 2.061 13.623 1.00 71.33 N ATOM 579 CA GLN A 38 -6.243 3.048 12.571 1.00 41.33 C ATOM 580 C GLN A 38 -5.308 2.751 11.406 1.00 54.11 C ATOM 581 O GLN A 38 -4.118 3.068 11.451 1.00 53.51 O ATOM 582 CB GLN A 38 -6.000 4.473 13.090 1.00 23.44 C ATOM 583 CG GLN A 38 -7.079 4.994 14.035 1.00 1.41 C ATOM 584 CD GLN A 38 -6.918 4.511 15.465 1.00 3.24 C ATOM 585 OE1 GLN A 38 -6.242 5.151 16.269 1.00 53.24 O ATOM 586 NE2 GLN A 38 -7.547 3.395 15.796 1.00 54.12 N ATOM 0 H GLN A 38 -5.385 2.320 14.336 1.00 71.33 H new ATOM 0 HA GLN A 38 -7.276 2.986 12.228 1.00 41.33 H new ATOM 0 HB2 GLN A 38 -5.040 4.500 13.605 1.00 23.44 H new ATOM 0 HB3 GLN A 38 -5.924 5.149 12.238 1.00 23.44 H new ATOM 0 HG2 GLN A 38 -7.064 6.084 14.024 1.00 1.41 H new ATOM 0 HG3 GLN A 38 -8.056 4.685 13.664 1.00 1.41 H new ATOM 0 HE21 GLN A 38 -8.098 2.894 15.099 1.00 54.12 H new ATOM 0 HE22 GLN A 38 -7.481 3.036 16.748 1.00 54.12 H new ATOM 595 N VAL A 39 -5.851 2.118 10.375 1.00 53.44 N ATOM 596 CA VAL A 39 -5.073 1.753 9.200 1.00 31.04 C ATOM 597 C VAL A 39 -5.714 2.303 7.935 1.00 2.24 C ATOM 598 O VAL A 39 -6.866 2.732 7.948 1.00 44.13 O ATOM 599 CB VAL A 39 -4.920 0.222 9.066 1.00 62.54 C ATOM 600 CG1 VAL A 39 -4.078 -0.329 10.202 1.00 2.31 C ATOM 601 CG2 VAL A 39 -6.281 -0.460 9.024 1.00 54.43 C ATOM 0 H VAL A 39 -6.833 1.846 10.329 1.00 53.44 H new ATOM 0 HA VAL A 39 -4.083 2.191 9.329 1.00 31.04 H new ATOM 0 HB VAL A 39 -4.410 0.012 8.126 1.00 62.54 H new ATOM 0 HG11 VAL A 39 -3.980 -1.409 10.092 1.00 2.31 H new ATOM 0 HG12 VAL A 39 -3.089 0.129 10.177 1.00 2.31 H new ATOM 0 HG13 VAL A 39 -4.559 -0.103 11.154 1.00 2.31 H new ATOM 0 HG21 VAL A 39 -6.145 -1.537 8.929 1.00 54.43 H new ATOM 0 HG22 VAL A 39 -6.826 -0.242 9.943 1.00 54.43 H new ATOM 0 HG23 VAL A 39 -6.848 -0.089 8.170 1.00 54.43 H new ATOM 611 N TYR A 40 -4.957 2.294 6.851 1.00 62.35 N ATOM 612 CA TYR A 40 -5.445 2.783 5.573 1.00 21.10 C ATOM 613 C TYR A 40 -5.116 1.804 4.461 1.00 42.30 C ATOM 614 O TYR A 40 -3.963 1.670 4.066 1.00 63.45 O ATOM 615 CB TYR A 40 -4.836 4.147 5.253 1.00 5.32 C ATOM 616 CG TYR A 40 -5.352 5.267 6.129 1.00 30.35 C ATOM 617 CD1 TYR A 40 -6.587 5.853 5.880 1.00 11.13 C ATOM 618 CD2 TYR A 40 -4.608 5.733 7.208 1.00 70.30 C ATOM 619 CE1 TYR A 40 -7.064 6.875 6.680 1.00 1.42 C ATOM 620 CE2 TYR A 40 -5.079 6.756 8.013 1.00 2.24 C ATOM 621 CZ TYR A 40 -6.308 7.323 7.745 1.00 72.14 C ATOM 622 OH TYR A 40 -6.788 8.339 8.544 1.00 43.21 O ATOM 0 H TYR A 40 -3.997 1.951 6.831 1.00 62.35 H new ATOM 0 HA TYR A 40 -6.528 2.884 5.644 1.00 21.10 H new ATOM 0 HB2 TYR A 40 -3.753 4.085 5.359 1.00 5.32 H new ATOM 0 HB3 TYR A 40 -5.041 4.390 4.210 1.00 5.32 H new ATOM 0 HD1 TYR A 40 -7.183 5.505 5.049 1.00 11.13 H new ATOM 0 HD2 TYR A 40 -3.647 5.289 7.421 1.00 70.30 H new ATOM 0 HE1 TYR A 40 -8.025 7.322 6.472 1.00 1.42 H new ATOM 0 HE2 TYR A 40 -4.488 7.108 8.846 1.00 2.24 H new ATOM 0 HH TYR A 40 -6.137 8.536 9.249 1.00 43.21 H new ATOM 632 N ALA A 41 -6.128 1.112 3.972 1.00 45.34 N ATOM 633 CA ALA A 41 -5.945 0.169 2.884 1.00 63.15 C ATOM 634 C ALA A 41 -6.523 0.724 1.586 1.00 72.23 C ATOM 635 O ALA A 41 -7.724 0.626 1.333 1.00 20.13 O ATOM 636 CB ALA A 41 -6.580 -1.170 3.228 1.00 74.41 C ATOM 0 H ALA A 41 -7.087 1.185 4.312 1.00 45.34 H new ATOM 0 HA ALA A 41 -4.876 0.014 2.739 1.00 63.15 H new ATOM 0 HB1 ALA A 41 -6.434 -1.865 2.401 1.00 74.41 H new ATOM 0 HB2 ALA A 41 -6.115 -1.573 4.128 1.00 74.41 H new ATOM 0 HB3 ALA A 41 -7.647 -1.033 3.402 1.00 74.41 H new ATOM 642 N ILE A 42 -5.662 1.319 0.775 1.00 44.31 N ATOM 643 CA ILE A 42 -6.070 1.894 -0.503 1.00 71.33 C ATOM 644 C ILE A 42 -5.097 1.461 -1.592 1.00 24.40 C ATOM 645 O ILE A 42 -4.001 0.993 -1.291 1.00 5.44 O ATOM 646 CB ILE A 42 -6.132 3.439 -0.452 1.00 2.24 C ATOM 647 CG1 ILE A 42 -4.747 4.028 -0.176 1.00 3.40 C ATOM 648 CG2 ILE A 42 -7.126 3.901 0.609 1.00 74.21 C ATOM 649 CD1 ILE A 42 -4.706 5.541 -0.221 1.00 42.21 C ATOM 0 H ILE A 42 -4.668 1.418 0.979 1.00 44.31 H new ATOM 0 HA ILE A 42 -7.073 1.528 -0.724 1.00 71.33 H new ATOM 0 HB ILE A 42 -6.471 3.798 -1.424 1.00 2.24 H new ATOM 0 HG12 ILE A 42 -4.409 3.694 0.805 1.00 3.40 H new ATOM 0 HG13 ILE A 42 -4.042 3.633 -0.907 1.00 3.40 H new ATOM 0 HG21 ILE A 42 -7.156 4.990 0.630 1.00 74.21 H new ATOM 0 HG22 ILE A 42 -8.117 3.515 0.371 1.00 74.21 H new ATOM 0 HG23 ILE A 42 -6.816 3.528 1.585 1.00 74.21 H new ATOM 0 HD11 ILE A 42 -3.692 5.884 -0.016 1.00 42.21 H new ATOM 0 HD12 ILE A 42 -5.012 5.884 -1.209 1.00 42.21 H new ATOM 0 HD13 ILE A 42 -5.385 5.946 0.530 1.00 42.21 H new ATOM 661 N SER A 43 -5.478 1.626 -2.850 1.00 40.01 N ATOM 662 CA SER A 43 -4.644 1.185 -3.966 1.00 50.15 C ATOM 663 C SER A 43 -3.477 2.143 -4.219 1.00 74.02 C ATOM 664 O SER A 43 -3.266 2.603 -5.339 1.00 34.22 O ATOM 665 CB SER A 43 -5.499 1.037 -5.224 1.00 24.22 C ATOM 666 OG SER A 43 -6.523 0.085 -5.016 1.00 70.34 O ATOM 0 H SER A 43 -6.358 2.061 -3.127 1.00 40.01 H new ATOM 0 HA SER A 43 -4.216 0.218 -3.704 1.00 50.15 H new ATOM 0 HB2 SER A 43 -5.937 1.999 -5.489 1.00 24.22 H new ATOM 0 HB3 SER A 43 -4.873 0.730 -6.062 1.00 24.22 H new ATOM 0 HG SER A 43 -7.282 0.513 -4.567 1.00 70.34 H new ATOM 672 N ASN A 44 -2.704 2.407 -3.176 1.00 63.31 N ATOM 673 CA ASN A 44 -1.562 3.307 -3.272 1.00 53.03 C ATOM 674 C ASN A 44 -0.281 2.486 -3.381 1.00 12.35 C ATOM 675 O ASN A 44 0.549 2.460 -2.471 1.00 73.53 O ATOM 676 CB ASN A 44 -1.510 4.227 -2.053 1.00 1.13 C ATOM 677 CG ASN A 44 -0.708 5.487 -2.305 1.00 24.32 C ATOM 678 OD1 ASN A 44 -0.665 5.990 -3.423 1.00 41.42 O ATOM 679 ND2 ASN A 44 -0.076 6.008 -1.265 1.00 40.24 N ATOM 0 H ASN A 44 -2.847 2.009 -2.248 1.00 63.31 H new ATOM 0 HA ASN A 44 -1.663 3.929 -4.161 1.00 53.03 H new ATOM 0 HB2 ASN A 44 -2.525 4.499 -1.765 1.00 1.13 H new ATOM 0 HB3 ASN A 44 -1.074 3.686 -1.213 1.00 1.13 H new ATOM 0 HD21 ASN A 44 0.473 6.860 -1.377 1.00 40.24 H new ATOM 0 HD22 ASN A 44 -0.138 5.557 -0.352 1.00 40.24 H new ATOM 686 N ILE A 45 -0.153 1.789 -4.502 1.00 31.33 N ATOM 687 CA ILE A 45 0.929 0.828 -4.712 1.00 74.52 C ATOM 688 C ILE A 45 2.076 1.442 -5.490 1.00 4.33 C ATOM 689 O ILE A 45 3.214 0.973 -5.409 1.00 31.31 O ATOM 690 CB ILE A 45 0.400 -0.405 -5.487 1.00 72.14 C ATOM 691 CG1 ILE A 45 -0.785 -1.037 -4.754 1.00 12.11 C ATOM 692 CG2 ILE A 45 1.497 -1.436 -5.707 1.00 4.24 C ATOM 693 CD1 ILE A 45 -0.416 -1.671 -3.432 1.00 75.54 C ATOM 0 H ILE A 45 -0.793 1.871 -5.292 1.00 31.33 H new ATOM 0 HA ILE A 45 1.295 0.527 -3.730 1.00 74.52 H new ATOM 0 HB ILE A 45 0.063 -0.060 -6.464 1.00 72.14 H new ATOM 0 HG12 ILE A 45 -1.543 -0.273 -4.581 1.00 12.11 H new ATOM 0 HG13 ILE A 45 -1.236 -1.794 -5.396 1.00 12.11 H new ATOM 0 HG21 ILE A 45 1.092 -2.288 -6.253 1.00 4.24 H new ATOM 0 HG22 ILE A 45 2.307 -0.988 -6.282 1.00 4.24 H new ATOM 0 HG23 ILE A 45 1.879 -1.772 -4.743 1.00 4.24 H new ATOM 0 HD11 ILE A 45 -1.307 -2.098 -2.972 1.00 75.54 H new ATOM 0 HD12 ILE A 45 0.319 -2.459 -3.599 1.00 75.54 H new ATOM 0 HD13 ILE A 45 0.007 -0.914 -2.771 1.00 75.54 H new ATOM 705 N ASP A 46 1.764 2.511 -6.200 1.00 64.43 N ATOM 706 CA ASP A 46 2.682 3.108 -7.168 1.00 42.14 C ATOM 707 C ASP A 46 2.958 2.105 -8.285 1.00 41.42 C ATOM 708 O ASP A 46 3.787 1.198 -8.139 1.00 33.24 O ATOM 709 CB ASP A 46 3.995 3.544 -6.508 1.00 31.32 C ATOM 710 CG ASP A 46 4.804 4.502 -7.363 1.00 42.23 C ATOM 711 OD1 ASP A 46 4.619 4.524 -8.599 1.00 23.15 O ATOM 712 OD2 ASP A 46 5.622 5.252 -6.797 1.00 2.42 O ATOM 0 H ASP A 46 0.869 2.994 -6.126 1.00 64.43 H new ATOM 0 HA ASP A 46 2.214 4.001 -7.581 1.00 42.14 H new ATOM 0 HB2 ASP A 46 3.774 4.019 -5.552 1.00 31.32 H new ATOM 0 HB3 ASP A 46 4.597 2.661 -6.294 1.00 31.32 H new ATOM 717 N PRO A 47 2.229 2.233 -9.406 1.00 64.22 N ATOM 718 CA PRO A 47 2.353 1.335 -10.566 1.00 54.13 C ATOM 719 C PRO A 47 3.752 1.329 -11.189 1.00 64.42 C ATOM 720 O PRO A 47 4.008 0.601 -12.150 1.00 21.14 O ATOM 721 CB PRO A 47 1.330 1.893 -11.565 1.00 51.42 C ATOM 722 CG PRO A 47 0.375 2.681 -10.736 1.00 40.10 C ATOM 723 CD PRO A 47 1.191 3.256 -9.619 1.00 62.20 C ATOM 0 HA PRO A 47 2.179 0.298 -10.278 1.00 54.13 H new ATOM 0 HB2 PRO A 47 1.812 2.520 -12.315 1.00 51.42 H new ATOM 0 HB3 PRO A 47 0.821 1.091 -12.099 1.00 51.42 H new ATOM 0 HG2 PRO A 47 -0.096 3.469 -11.323 1.00 40.10 H new ATOM 0 HG3 PRO A 47 -0.425 2.048 -10.352 1.00 40.10 H new ATOM 0 HD2 PRO A 47 1.623 4.219 -9.890 1.00 62.20 H new ATOM 0 HD3 PRO A 47 0.592 3.416 -8.722 1.00 62.20 H new ATOM 731 N PHE A 48 4.652 2.124 -10.642 1.00 34.43 N ATOM 732 CA PHE A 48 6.016 2.168 -11.128 1.00 33.11 C ATOM 733 C PHE A 48 6.902 1.188 -10.353 1.00 4.25 C ATOM 734 O PHE A 48 7.996 0.846 -10.800 1.00 61.10 O ATOM 735 CB PHE A 48 6.558 3.599 -11.008 1.00 2.45 C ATOM 736 CG PHE A 48 7.883 3.814 -11.683 1.00 54.14 C ATOM 737 CD1 PHE A 48 7.953 3.991 -13.057 1.00 11.52 C ATOM 738 CD2 PHE A 48 9.055 3.844 -10.947 1.00 44.45 C ATOM 739 CE1 PHE A 48 9.168 4.191 -13.682 1.00 53.31 C ATOM 740 CE2 PHE A 48 10.273 4.043 -11.568 1.00 60.41 C ATOM 741 CZ PHE A 48 10.329 4.218 -12.937 1.00 15.11 C ATOM 0 H PHE A 48 4.461 2.749 -9.859 1.00 34.43 H new ATOM 0 HA PHE A 48 6.027 1.869 -12.176 1.00 33.11 H new ATOM 0 HB2 PHE A 48 5.829 4.288 -11.435 1.00 2.45 H new ATOM 0 HB3 PHE A 48 6.656 3.851 -9.952 1.00 2.45 H new ATOM 0 HD1 PHE A 48 7.047 3.972 -13.645 1.00 11.52 H new ATOM 0 HD2 PHE A 48 9.017 3.710 -9.876 1.00 44.45 H new ATOM 0 HE1 PHE A 48 9.209 4.326 -14.753 1.00 53.31 H new ATOM 0 HE2 PHE A 48 11.181 4.062 -10.983 1.00 60.41 H new ATOM 0 HZ PHE A 48 11.280 4.376 -13.424 1.00 15.11 H new ATOM 751 N ALA A 49 6.415 0.704 -9.208 1.00 20.15 N ATOM 752 CA ALA A 49 7.242 -0.123 -8.332 1.00 62.23 C ATOM 753 C ALA A 49 6.555 -1.426 -7.925 1.00 10.34 C ATOM 754 O ALA A 49 7.233 -2.421 -7.670 1.00 33.12 O ATOM 755 CB ALA A 49 7.641 0.663 -7.095 1.00 63.01 C ATOM 0 H ALA A 49 5.466 0.868 -8.871 1.00 20.15 H new ATOM 0 HA ALA A 49 8.131 -0.396 -8.900 1.00 62.23 H new ATOM 0 HB1 ALA A 49 8.257 0.037 -6.449 1.00 63.01 H new ATOM 0 HB2 ALA A 49 8.207 1.546 -7.392 1.00 63.01 H new ATOM 0 HB3 ALA A 49 6.746 0.971 -6.555 1.00 63.01 H new ATOM 761 N GLN A 50 5.220 -1.403 -7.822 1.00 64.20 N ATOM 762 CA GLN A 50 4.415 -2.600 -7.496 1.00 3.31 C ATOM 763 C GLN A 50 4.475 -2.977 -6.009 1.00 44.21 C ATOM 764 O GLN A 50 3.654 -3.764 -5.536 1.00 75.24 O ATOM 765 CB GLN A 50 4.834 -3.824 -8.330 1.00 73.42 C ATOM 766 CG GLN A 50 4.241 -3.899 -9.730 1.00 54.14 C ATOM 767 CD GLN A 50 4.608 -2.721 -10.603 1.00 35.22 C ATOM 768 OE1 GLN A 50 5.660 -2.707 -11.236 1.00 25.33 O ATOM 769 NE2 GLN A 50 3.726 -1.744 -10.676 1.00 11.34 N ATOM 0 H GLN A 50 4.663 -0.560 -7.961 1.00 64.20 H new ATOM 0 HA GLN A 50 3.390 -2.323 -7.743 1.00 3.31 H new ATOM 0 HB2 GLN A 50 5.921 -3.829 -8.414 1.00 73.42 H new ATOM 0 HB3 GLN A 50 4.552 -4.726 -7.786 1.00 73.42 H new ATOM 0 HG2 GLN A 50 4.579 -4.817 -10.211 1.00 54.14 H new ATOM 0 HG3 GLN A 50 3.155 -3.960 -9.654 1.00 54.14 H new ATOM 0 HE21 GLN A 50 2.864 -1.794 -10.134 1.00 11.34 H new ATOM 0 HE22 GLN A 50 3.906 -0.938 -11.275 1.00 11.34 H new ATOM 778 N ALA A 51 5.420 -2.411 -5.271 1.00 2.15 N ATOM 779 CA ALA A 51 5.642 -2.807 -3.879 1.00 52.31 C ATOM 780 C ALA A 51 5.253 -1.709 -2.903 1.00 72.31 C ATOM 781 O ALA A 51 5.871 -1.563 -1.847 1.00 15.13 O ATOM 782 CB ALA A 51 7.098 -3.196 -3.683 1.00 3.42 C ATOM 0 H ALA A 51 6.045 -1.679 -5.607 1.00 2.15 H new ATOM 0 HA ALA A 51 5.002 -3.664 -3.670 1.00 52.31 H new ATOM 0 HB1 ALA A 51 7.260 -3.490 -2.646 1.00 3.42 H new ATOM 0 HB2 ALA A 51 7.343 -4.031 -4.339 1.00 3.42 H new ATOM 0 HB3 ALA A 51 7.737 -2.346 -3.923 1.00 3.42 H new ATOM 788 N SER A 52 4.210 -0.960 -3.253 1.00 61.35 N ATOM 789 CA SER A 52 3.658 0.089 -2.390 1.00 73.15 C ATOM 790 C SER A 52 4.757 0.992 -1.829 1.00 44.30 C ATOM 791 O SER A 52 4.876 1.177 -0.618 1.00 40.32 O ATOM 792 CB SER A 52 2.829 -0.524 -1.252 1.00 11.13 C ATOM 793 OG SER A 52 3.578 -1.470 -0.512 1.00 63.53 O ATOM 0 H SER A 52 3.721 -1.061 -4.143 1.00 61.35 H new ATOM 0 HA SER A 52 3.002 0.708 -3.003 1.00 73.15 H new ATOM 0 HB2 SER A 52 2.482 0.267 -0.587 1.00 11.13 H new ATOM 0 HB3 SER A 52 1.942 -1.004 -1.665 1.00 11.13 H new ATOM 0 HG SER A 52 4.535 -1.318 -0.660 1.00 63.53 H new ATOM 799 N VAL A 53 5.537 1.580 -2.719 1.00 42.32 N ATOM 800 CA VAL A 53 6.663 2.420 -2.301 1.00 34.33 C ATOM 801 C VAL A 53 6.159 3.771 -1.826 1.00 14.03 C ATOM 802 O VAL A 53 6.925 4.620 -1.376 1.00 31.05 O ATOM 803 CB VAL A 53 7.704 2.620 -3.422 1.00 40.24 C ATOM 804 CG1 VAL A 53 8.382 1.301 -3.760 1.00 43.44 C ATOM 805 CG2 VAL A 53 7.060 3.230 -4.655 1.00 42.53 C ATOM 0 H VAL A 53 5.419 1.497 -3.729 1.00 42.32 H new ATOM 0 HA VAL A 53 7.161 1.898 -1.484 1.00 34.33 H new ATOM 0 HB VAL A 53 8.465 3.313 -3.064 1.00 40.24 H new ATOM 0 HG11 VAL A 53 9.113 1.460 -4.553 1.00 43.44 H new ATOM 0 HG12 VAL A 53 8.885 0.913 -2.874 1.00 43.44 H new ATOM 0 HG13 VAL A 53 7.634 0.583 -4.096 1.00 43.44 H new ATOM 0 HG21 VAL A 53 7.813 3.362 -5.432 1.00 42.53 H new ATOM 0 HG22 VAL A 53 6.274 2.569 -5.020 1.00 42.53 H new ATOM 0 HG23 VAL A 53 6.630 4.198 -4.399 1.00 42.53 H new ATOM 815 N LEU A 54 4.853 3.945 -1.917 1.00 41.11 N ATOM 816 CA LEU A 54 4.196 5.130 -1.415 1.00 22.05 C ATOM 817 C LEU A 54 3.732 4.889 0.021 1.00 54.24 C ATOM 818 O LEU A 54 2.808 5.533 0.509 1.00 14.12 O ATOM 819 CB LEU A 54 3.016 5.484 -2.325 1.00 65.14 C ATOM 820 CG LEU A 54 3.389 5.744 -3.787 1.00 30.22 C ATOM 821 CD1 LEU A 54 2.160 6.097 -4.608 1.00 71.03 C ATOM 822 CD2 LEU A 54 4.422 6.852 -3.883 1.00 74.43 C ATOM 0 H LEU A 54 4.221 3.266 -2.342 1.00 41.11 H new ATOM 0 HA LEU A 54 4.892 5.969 -1.413 1.00 22.05 H new ATOM 0 HB2 LEU A 54 2.291 4.671 -2.289 1.00 65.14 H new ATOM 0 HB3 LEU A 54 2.522 6.370 -1.927 1.00 65.14 H new ATOM 0 HG LEU A 54 3.819 4.828 -4.193 1.00 30.22 H new ATOM 0 HD11 LEU A 54 2.453 6.277 -5.642 1.00 71.03 H new ATOM 0 HD12 LEU A 54 1.448 5.272 -4.570 1.00 71.03 H new ATOM 0 HD13 LEU A 54 1.696 6.995 -4.201 1.00 71.03 H new ATOM 0 HD21 LEU A 54 4.675 7.023 -4.929 1.00 74.43 H new ATOM 0 HD22 LEU A 54 4.015 7.767 -3.454 1.00 74.43 H new ATOM 0 HD23 LEU A 54 5.319 6.562 -3.335 1.00 74.43 H new ATOM 834 N SER A 55 4.384 3.941 0.689 1.00 53.51 N ATOM 835 CA SER A 55 4.117 3.675 2.098 1.00 14.30 C ATOM 836 C SER A 55 5.395 3.270 2.826 1.00 55.33 C ATOM 837 O SER A 55 5.631 3.680 3.964 1.00 32.23 O ATOM 838 CB SER A 55 3.052 2.592 2.250 1.00 12.31 C ATOM 839 OG SER A 55 3.440 1.385 1.622 1.00 54.30 O ATOM 0 H SER A 55 5.101 3.344 0.276 1.00 53.51 H new ATOM 0 HA SER A 55 3.742 4.594 2.549 1.00 14.30 H new ATOM 0 HB2 SER A 55 2.868 2.409 3.309 1.00 12.31 H new ATOM 0 HB3 SER A 55 2.114 2.941 1.819 1.00 12.31 H new ATOM 0 HG SER A 55 4.012 1.586 0.852 1.00 54.30 H new ATOM 845 N ARG A 56 6.228 2.477 2.158 1.00 2.45 N ATOM 846 CA ARG A 56 7.494 2.040 2.730 1.00 32.01 C ATOM 847 C ARG A 56 8.539 3.135 2.560 1.00 5.43 C ATOM 848 O ARG A 56 9.557 2.948 1.891 1.00 22.14 O ATOM 849 CB ARG A 56 7.993 0.762 2.059 1.00 21.22 C ATOM 850 CG ARG A 56 6.957 -0.345 1.945 1.00 51.03 C ATOM 851 CD ARG A 56 7.563 -1.585 1.313 1.00 4.02 C ATOM 852 NE ARG A 56 8.420 -1.243 0.182 1.00 21.01 N ATOM 853 CZ ARG A 56 8.937 -2.127 -0.655 1.00 0.53 C ATOM 854 NH1 ARG A 56 8.667 -3.418 -0.525 1.00 63.23 N ATOM 855 NH2 ARG A 56 9.735 -1.714 -1.628 1.00 23.35 N ATOM 0 H ARG A 56 6.047 2.124 1.218 1.00 2.45 H new ATOM 0 HA ARG A 56 7.333 1.836 3.789 1.00 32.01 H new ATOM 0 HB2 ARG A 56 8.351 1.009 1.060 1.00 21.22 H new ATOM 0 HB3 ARG A 56 8.848 0.384 2.620 1.00 21.22 H new ATOM 0 HG2 ARG A 56 6.567 -0.588 2.933 1.00 51.03 H new ATOM 0 HG3 ARG A 56 6.114 -0.001 1.346 1.00 51.03 H new ATOM 0 HD2 ARG A 56 8.143 -2.129 2.059 1.00 4.02 H new ATOM 0 HD3 ARG A 56 6.767 -2.251 0.980 1.00 4.02 H new ATOM 0 HE ARG A 56 8.634 -0.258 0.027 1.00 21.01 H new ATOM 0 HH11 ARG A 56 8.055 -3.738 0.226 1.00 63.23 H new ATOM 0 HH12 ARG A 56 9.071 -4.092 -1.176 1.00 63.23 H new ATOM 0 HH21 ARG A 56 9.946 -0.721 -1.727 1.00 23.35 H new ATOM 0 HH22 ARG A 56 10.138 -2.389 -2.278 1.00 23.35 H new ATOM 869 N GLY A 57 8.245 4.288 3.122 1.00 25.51 N ATOM 870 CA GLY A 57 9.167 5.400 3.073 1.00 63.22 C ATOM 871 C GLY A 57 8.988 6.321 4.257 1.00 2.12 C ATOM 872 O GLY A 57 9.295 5.947 5.390 1.00 0.25 O ATOM 0 H GLY A 57 7.374 4.479 3.618 1.00 25.51 H new ATOM 0 HA2 GLY A 57 10.190 5.025 3.054 1.00 63.22 H new ATOM 0 HA3 GLY A 57 9.015 5.959 2.150 1.00 63.22 H new ATOM 876 N ILE A 58 8.475 7.517 4.005 1.00 72.10 N ATOM 877 CA ILE A 58 8.246 8.482 5.068 1.00 73.24 C ATOM 878 C ILE A 58 6.772 8.846 5.155 1.00 41.42 C ATOM 879 O ILE A 58 6.246 9.582 4.317 1.00 2.14 O ATOM 880 CB ILE A 58 9.077 9.773 4.869 1.00 12.11 C ATOM 881 CG1 ILE A 58 10.576 9.452 4.800 1.00 42.33 C ATOM 882 CG2 ILE A 58 8.799 10.770 5.990 1.00 31.54 C ATOM 883 CD1 ILE A 58 11.124 8.802 6.056 1.00 42.43 C ATOM 0 H ILE A 58 8.210 7.841 3.075 1.00 72.10 H new ATOM 0 HA ILE A 58 8.564 8.008 5.997 1.00 73.24 H new ATOM 0 HB ILE A 58 8.779 10.224 3.922 1.00 12.11 H new ATOM 0 HG12 ILE A 58 10.757 8.791 3.952 1.00 42.33 H new ATOM 0 HG13 ILE A 58 11.126 10.373 4.610 1.00 42.33 H new ATOM 0 HG21 ILE A 58 9.393 11.670 5.832 1.00 31.54 H new ATOM 0 HG22 ILE A 58 7.740 11.029 5.992 1.00 31.54 H new ATOM 0 HG23 ILE A 58 9.065 10.324 6.948 1.00 31.54 H new ATOM 0 HD11 ILE A 58 12.189 8.606 5.929 1.00 42.43 H new ATOM 0 HD12 ILE A 58 10.976 9.469 6.905 1.00 42.43 H new ATOM 0 HD13 ILE A 58 10.601 7.863 6.237 1.00 42.43 H new ATOM 895 N VAL A 59 6.113 8.308 6.164 1.00 20.53 N ATOM 896 CA VAL A 59 4.739 8.649 6.462 1.00 31.10 C ATOM 897 C VAL A 59 4.737 9.918 7.296 1.00 45.43 C ATOM 898 O VAL A 59 5.039 9.893 8.489 1.00 72.40 O ATOM 899 CB VAL A 59 4.034 7.510 7.225 1.00 10.20 C ATOM 900 CG1 VAL A 59 2.604 7.896 7.585 1.00 75.41 C ATOM 901 CG2 VAL A 59 4.051 6.230 6.405 1.00 64.22 C ATOM 0 H VAL A 59 6.518 7.621 6.800 1.00 20.53 H new ATOM 0 HA VAL A 59 4.194 8.803 5.531 1.00 31.10 H new ATOM 0 HB VAL A 59 4.580 7.336 8.152 1.00 10.20 H new ATOM 0 HG11 VAL A 59 2.130 7.075 8.122 1.00 75.41 H new ATOM 0 HG12 VAL A 59 2.615 8.785 8.216 1.00 75.41 H new ATOM 0 HG13 VAL A 59 2.043 8.105 6.674 1.00 75.41 H new ATOM 0 HG21 VAL A 59 3.549 5.436 6.959 1.00 64.22 H new ATOM 0 HG22 VAL A 59 3.534 6.396 5.460 1.00 64.22 H new ATOM 0 HG23 VAL A 59 5.082 5.938 6.207 1.00 64.22 H new ATOM 911 N ALA A 60 4.444 11.030 6.652 1.00 4.45 N ATOM 912 CA ALA A 60 4.625 12.331 7.271 1.00 73.33 C ATOM 913 C ALA A 60 3.317 13.098 7.408 1.00 43.20 C ATOM 914 O ALA A 60 2.672 13.445 6.416 1.00 3.43 O ATOM 915 CB ALA A 60 5.630 13.145 6.472 1.00 54.25 C ATOM 0 H ALA A 60 4.079 11.061 5.700 1.00 4.45 H new ATOM 0 HA ALA A 60 5.003 12.163 8.280 1.00 73.33 H new ATOM 0 HB1 ALA A 60 5.763 14.120 6.940 1.00 54.25 H new ATOM 0 HB2 ALA A 60 6.586 12.621 6.448 1.00 54.25 H new ATOM 0 HB3 ALA A 60 5.263 13.278 5.454 1.00 54.25 H new ATOM 921 N GLU A 61 2.926 13.351 8.645 1.00 21.22 N ATOM 922 CA GLU A 61 1.831 14.259 8.913 1.00 4.01 C ATOM 923 C GLU A 61 2.311 15.673 8.627 1.00 13.40 C ATOM 924 O GLU A 61 3.078 16.245 9.403 1.00 61.30 O ATOM 925 CB GLU A 61 1.364 14.117 10.363 1.00 23.43 C ATOM 926 CG GLU A 61 0.190 15.012 10.726 1.00 1.41 C ATOM 927 CD GLU A 61 -0.337 14.738 12.121 1.00 30.44 C ATOM 928 OE1 GLU A 61 0.347 15.098 13.102 1.00 45.45 O ATOM 929 OE2 GLU A 61 -1.436 14.156 12.242 1.00 41.44 O ATOM 0 H GLU A 61 3.351 12.940 9.476 1.00 21.22 H new ATOM 0 HA GLU A 61 0.979 14.026 8.275 1.00 4.01 H new ATOM 0 HB2 GLU A 61 1.085 13.079 10.544 1.00 23.43 H new ATOM 0 HB3 GLU A 61 2.199 14.343 11.026 1.00 23.43 H new ATOM 0 HG2 GLU A 61 0.497 16.056 10.655 1.00 1.41 H new ATOM 0 HG3 GLU A 61 -0.612 14.866 10.002 1.00 1.41 H new ATOM 936 N HIS A 62 1.886 16.210 7.490 1.00 13.34 N ATOM 937 CA HIS A 62 2.410 17.474 6.984 1.00 33.15 C ATOM 938 C HIS A 62 2.179 18.592 7.990 1.00 3.23 C ATOM 939 O HIS A 62 3.119 19.246 8.435 1.00 41.03 O ATOM 940 CB HIS A 62 1.756 17.810 5.639 1.00 54.12 C ATOM 941 CG HIS A 62 2.333 19.014 4.957 1.00 2.34 C ATOM 942 ND1 HIS A 62 3.613 19.012 4.461 1.00 43.41 N ATOM 943 CD2 HIS A 62 1.766 20.219 4.715 1.00 31.00 C ATOM 944 CE1 HIS A 62 3.798 20.209 3.931 1.00 45.11 C ATOM 945 NE2 HIS A 62 2.706 20.978 4.061 1.00 32.44 N ATOM 0 H HIS A 62 1.174 15.786 6.896 1.00 13.34 H new ATOM 0 HA HIS A 62 3.485 17.374 6.834 1.00 33.15 H new ATOM 0 HB2 HIS A 62 1.853 16.950 4.976 1.00 54.12 H new ATOM 0 HB3 HIS A 62 0.690 17.972 5.797 1.00 54.12 H new ATOM 0 HD2 HIS A 62 0.766 20.525 4.984 1.00 31.00 H new ATOM 0 HE1 HIS A 62 4.713 20.528 3.454 1.00 45.11 H new ATOM 0 HE2 HIS A 62 2.595 21.939 3.737 1.00 32.44 H new ATOM 953 N GLN A 63 0.924 18.793 8.345 1.00 32.02 N ATOM 954 CA GLN A 63 0.561 19.776 9.354 1.00 41.21 C ATOM 955 C GLN A 63 -0.569 19.227 10.209 1.00 61.45 C ATOM 956 O GLN A 63 -0.394 18.952 11.395 1.00 14.11 O ATOM 957 CB GLN A 63 0.124 21.094 8.702 1.00 53.31 C ATOM 958 CG GLN A 63 1.220 21.795 7.915 1.00 35.30 C ATOM 959 CD GLN A 63 0.725 23.028 7.183 1.00 73.32 C ATOM 960 OE1 GLN A 63 1.468 23.984 6.980 1.00 14.11 O ATOM 961 NE2 GLN A 63 -0.536 23.011 6.772 1.00 53.32 N ATOM 0 H GLN A 63 0.133 18.286 7.948 1.00 32.02 H new ATOM 0 HA GLN A 63 1.433 19.975 9.977 1.00 41.21 H new ATOM 0 HB2 GLN A 63 -0.716 20.896 8.036 1.00 53.31 H new ATOM 0 HB3 GLN A 63 -0.238 21.768 9.479 1.00 53.31 H new ATOM 0 HG2 GLN A 63 2.023 22.080 8.595 1.00 35.30 H new ATOM 0 HG3 GLN A 63 1.646 21.097 7.194 1.00 35.30 H new ATOM 0 HE21 GLN A 63 -1.123 22.198 6.960 1.00 53.32 H new ATOM 0 HE22 GLN A 63 -0.919 23.811 6.268 1.00 53.32 H new ATOM 970 N ASP A 64 -1.722 19.064 9.581 1.00 65.12 N ATOM 971 CA ASP A 64 -2.907 18.549 10.249 1.00 31.34 C ATOM 972 C ASP A 64 -3.408 17.291 9.545 1.00 55.32 C ATOM 973 O ASP A 64 -4.287 16.590 10.045 1.00 14.43 O ATOM 974 CB ASP A 64 -3.994 19.631 10.256 1.00 11.03 C ATOM 975 CG ASP A 64 -5.273 19.198 10.946 1.00 42.20 C ATOM 976 OD1 ASP A 64 -5.271 19.067 12.186 1.00 40.13 O ATOM 977 OD2 ASP A 64 -6.292 19.005 10.250 1.00 54.31 O ATOM 0 H ASP A 64 -1.863 19.284 8.595 1.00 65.12 H new ATOM 0 HA ASP A 64 -2.658 18.285 11.277 1.00 31.34 H new ATOM 0 HB2 ASP A 64 -3.606 20.521 10.752 1.00 11.03 H new ATOM 0 HB3 ASP A 64 -4.222 19.912 9.228 1.00 11.03 H new ATOM 982 N ASP A 65 -2.809 16.982 8.400 1.00 33.03 N ATOM 983 CA ASP A 65 -3.292 15.892 7.561 1.00 73.40 C ATOM 984 C ASP A 65 -2.179 14.868 7.337 1.00 22.24 C ATOM 985 O ASP A 65 -1.022 15.123 7.679 1.00 23.24 O ATOM 986 CB ASP A 65 -3.794 16.446 6.225 1.00 1.52 C ATOM 987 CG ASP A 65 -4.820 15.547 5.560 1.00 13.14 C ATOM 988 OD1 ASP A 65 -4.427 14.585 4.877 1.00 35.45 O ATOM 989 OD2 ASP A 65 -6.032 15.817 5.705 1.00 35.13 O ATOM 0 H ASP A 65 -1.991 17.469 8.033 1.00 33.03 H new ATOM 0 HA ASP A 65 -4.121 15.394 8.064 1.00 73.40 H new ATOM 0 HB2 ASP A 65 -4.232 17.431 6.388 1.00 1.52 H new ATOM 0 HB3 ASP A 65 -2.947 16.581 5.552 1.00 1.52 H new ATOM 994 N LEU A 66 -2.517 13.737 6.736 1.00 30.04 N ATOM 995 CA LEU A 66 -1.592 12.617 6.621 1.00 73.53 C ATOM 996 C LEU A 66 -1.161 12.413 5.175 1.00 23.24 C ATOM 997 O LEU A 66 -1.964 12.032 4.319 1.00 33.23 O ATOM 998 CB LEU A 66 -2.237 11.336 7.157 1.00 72.40 C ATOM 999 CG LEU A 66 -2.592 11.355 8.645 1.00 3.15 C ATOM 1000 CD1 LEU A 66 -3.296 10.068 9.039 1.00 32.23 C ATOM 1001 CD2 LEU A 66 -1.343 11.555 9.489 1.00 65.40 C ATOM 0 H LEU A 66 -3.432 13.569 6.317 1.00 30.04 H new ATOM 0 HA LEU A 66 -0.708 12.848 7.216 1.00 73.53 H new ATOM 0 HB2 LEU A 66 -3.145 11.140 6.586 1.00 72.40 H new ATOM 0 HB3 LEU A 66 -1.559 10.503 6.973 1.00 72.40 H new ATOM 0 HG LEU A 66 -3.269 12.190 8.826 1.00 3.15 H new ATOM 0 HD11 LEU A 66 -3.542 10.098 10.101 1.00 32.23 H new ATOM 0 HD12 LEU A 66 -4.212 9.962 8.458 1.00 32.23 H new ATOM 0 HD13 LEU A 66 -2.641 9.220 8.842 1.00 32.23 H new ATOM 0 HD21 LEU A 66 -1.615 11.566 10.544 1.00 65.40 H new ATOM 0 HD22 LEU A 66 -0.644 10.740 9.303 1.00 65.40 H new ATOM 0 HD23 LEU A 66 -0.874 12.503 9.225 1.00 65.40 H new ATOM 1013 N TRP A 67 0.110 12.668 4.909 1.00 51.30 N ATOM 1014 CA TRP A 67 0.659 12.520 3.572 1.00 40.15 C ATOM 1015 C TRP A 67 1.858 11.576 3.640 1.00 20.12 C ATOM 1016 O TRP A 67 2.327 11.244 4.728 1.00 13.44 O ATOM 1017 CB TRP A 67 1.085 13.887 3.001 1.00 75.31 C ATOM 1018 CG TRP A 67 0.062 14.984 3.173 1.00 53.50 C ATOM 1019 CD1 TRP A 67 -0.296 15.578 4.349 1.00 24.22 C ATOM 1020 CD2 TRP A 67 -0.721 15.629 2.151 1.00 72.41 C ATOM 1021 NE1 TRP A 67 -1.238 16.546 4.128 1.00 11.04 N ATOM 1022 CE2 TRP A 67 -1.521 16.596 2.794 1.00 65.11 C ATOM 1023 CE3 TRP A 67 -0.831 15.491 0.760 1.00 25.03 C ATOM 1024 CZ2 TRP A 67 -2.411 17.413 2.103 1.00 52.12 C ATOM 1025 CZ3 TRP A 67 -1.718 16.302 0.080 1.00 15.34 C ATOM 1026 CH2 TRP A 67 -2.496 17.252 0.750 1.00 23.42 C ATOM 0 H TRP A 67 0.785 12.981 5.607 1.00 51.30 H new ATOM 0 HA TRP A 67 -0.102 12.107 2.910 1.00 40.15 H new ATOM 0 HB2 TRP A 67 2.013 14.194 3.483 1.00 75.31 H new ATOM 0 HB3 TRP A 67 1.300 13.772 1.939 1.00 75.31 H new ATOM 0 HD1 TRP A 67 0.107 15.320 5.317 1.00 24.22 H new ATOM 0 HE1 TRP A 67 -1.661 17.135 4.845 1.00 11.04 H new ATOM 0 HE3 TRP A 67 -0.233 14.764 0.230 1.00 25.03 H new ATOM 0 HZ2 TRP A 67 -3.012 18.147 2.618 1.00 52.12 H new ATOM 0 HZ3 TRP A 67 -1.813 16.201 -0.991 1.00 15.34 H new ATOM 0 HH2 TRP A 67 -3.178 17.871 0.185 1.00 23.42 H new ATOM 1037 N VAL A 68 2.341 11.130 2.497 1.00 34.30 N ATOM 1038 CA VAL A 68 3.506 10.259 2.461 1.00 24.34 C ATOM 1039 C VAL A 68 4.515 10.757 1.431 1.00 24.11 C ATOM 1040 O VAL A 68 4.139 11.307 0.396 1.00 35.13 O ATOM 1041 CB VAL A 68 3.108 8.793 2.155 1.00 30.32 C ATOM 1042 CG1 VAL A 68 2.509 8.665 0.763 1.00 33.30 C ATOM 1043 CG2 VAL A 68 4.295 7.856 2.322 1.00 61.14 C ATOM 0 H VAL A 68 1.949 11.354 1.582 1.00 34.30 H new ATOM 0 HA VAL A 68 3.967 10.283 3.448 1.00 24.34 H new ATOM 0 HB VAL A 68 2.345 8.501 2.876 1.00 30.32 H new ATOM 0 HG11 VAL A 68 2.240 7.625 0.577 1.00 33.30 H new ATOM 0 HG12 VAL A 68 1.618 9.289 0.691 1.00 33.30 H new ATOM 0 HG13 VAL A 68 3.239 8.989 0.021 1.00 33.30 H new ATOM 0 HG21 VAL A 68 3.986 6.834 2.101 1.00 61.14 H new ATOM 0 HG22 VAL A 68 5.090 8.151 1.637 1.00 61.14 H new ATOM 0 HG23 VAL A 68 4.660 7.911 3.348 1.00 61.14 H new ATOM 1053 N ALA A 69 5.792 10.592 1.739 1.00 71.30 N ATOM 1054 CA ALA A 69 6.856 10.992 0.837 1.00 31.41 C ATOM 1055 C ALA A 69 7.458 9.774 0.147 1.00 74.23 C ATOM 1056 O ALA A 69 7.843 8.802 0.802 1.00 44.22 O ATOM 1057 CB ALA A 69 7.929 11.755 1.598 1.00 14.31 C ATOM 0 H ALA A 69 6.116 10.180 2.614 1.00 71.30 H new ATOM 0 HA ALA A 69 6.437 11.646 0.073 1.00 31.41 H new ATOM 0 HB1 ALA A 69 8.722 12.050 0.911 1.00 14.31 H new ATOM 0 HB2 ALA A 69 7.491 12.645 2.050 1.00 14.31 H new ATOM 0 HB3 ALA A 69 8.344 11.118 2.379 1.00 14.31 H new ATOM 1063 N SER A 70 7.523 9.829 -1.173 1.00 13.42 N ATOM 1064 CA SER A 70 8.098 8.747 -1.953 1.00 70.11 C ATOM 1065 C SER A 70 9.590 8.979 -2.166 1.00 73.15 C ATOM 1066 O SER A 70 10.010 10.079 -2.531 1.00 53.42 O ATOM 1067 CB SER A 70 7.387 8.633 -3.305 1.00 32.51 C ATOM 1068 OG SER A 70 7.939 7.592 -4.100 1.00 12.05 O ATOM 0 H SER A 70 7.183 10.615 -1.728 1.00 13.42 H new ATOM 0 HA SER A 70 7.964 7.815 -1.403 1.00 70.11 H new ATOM 0 HB2 SER A 70 6.326 8.445 -3.144 1.00 32.51 H new ATOM 0 HB3 SER A 70 7.465 9.580 -3.839 1.00 32.51 H new ATOM 0 HG SER A 70 7.462 7.545 -4.955 1.00 12.05 H new ATOM 1074 N PRO A 71 10.410 7.940 -1.939 1.00 14.54 N ATOM 1075 CA PRO A 71 11.854 8.009 -2.168 1.00 60.15 C ATOM 1076 C PRO A 71 12.200 8.084 -3.657 1.00 65.22 C ATOM 1077 O PRO A 71 13.313 8.464 -4.032 1.00 25.04 O ATOM 1078 CB PRO A 71 12.376 6.705 -1.557 1.00 2.50 C ATOM 1079 CG PRO A 71 11.218 5.771 -1.603 1.00 71.02 C ATOM 1080 CD PRO A 71 9.991 6.623 -1.422 1.00 24.03 C ATOM 0 HA PRO A 71 12.296 8.903 -1.728 1.00 60.15 H new ATOM 0 HB2 PRO A 71 13.222 6.314 -2.123 1.00 2.50 H new ATOM 0 HB3 PRO A 71 12.720 6.858 -0.534 1.00 2.50 H new ATOM 0 HG2 PRO A 71 11.185 5.236 -2.552 1.00 71.02 H new ATOM 0 HG3 PRO A 71 11.291 5.020 -0.817 1.00 71.02 H new ATOM 0 HD2 PRO A 71 9.141 6.226 -1.976 1.00 24.03 H new ATOM 0 HD3 PRO A 71 9.691 6.679 -0.375 1.00 24.03 H new ATOM 1088 N LEU A 72 11.238 7.723 -4.502 1.00 43.54 N ATOM 1089 CA LEU A 72 11.432 7.758 -5.945 1.00 12.04 C ATOM 1090 C LEU A 72 11.038 9.125 -6.487 1.00 12.12 C ATOM 1091 O LEU A 72 11.820 9.789 -7.169 1.00 14.34 O ATOM 1092 CB LEU A 72 10.601 6.664 -6.624 1.00 52.12 C ATOM 1093 CG LEU A 72 10.891 5.238 -6.152 1.00 2.12 C ATOM 1094 CD1 LEU A 72 10.001 4.244 -6.883 1.00 15.34 C ATOM 1095 CD2 LEU A 72 12.361 4.896 -6.357 1.00 52.21 C ATOM 0 H LEU A 72 10.315 7.402 -4.209 1.00 43.54 H new ATOM 0 HA LEU A 72 12.485 7.578 -6.161 1.00 12.04 H new ATOM 0 HB2 LEU A 72 9.545 6.877 -6.458 1.00 52.12 H new ATOM 0 HB3 LEU A 72 10.771 6.715 -7.699 1.00 52.12 H new ATOM 0 HG LEU A 72 10.671 5.175 -5.086 1.00 2.12 H new ATOM 0 HD11 LEU A 72 10.221 3.235 -6.535 1.00 15.34 H new ATOM 0 HD12 LEU A 72 8.955 4.477 -6.684 1.00 15.34 H new ATOM 0 HD13 LEU A 72 10.189 4.307 -7.955 1.00 15.34 H new ATOM 0 HD21 LEU A 72 12.549 3.878 -6.016 1.00 52.21 H new ATOM 0 HD22 LEU A 72 12.609 4.975 -7.415 1.00 52.21 H new ATOM 0 HD23 LEU A 72 12.979 5.590 -5.787 1.00 52.21 H new ATOM 1107 N LYS A 73 9.828 9.547 -6.151 1.00 11.24 N ATOM 1108 CA LYS A 73 9.322 10.841 -6.559 1.00 44.21 C ATOM 1109 C LYS A 73 8.860 11.604 -5.332 1.00 22.11 C ATOM 1110 O LYS A 73 7.815 11.307 -4.751 1.00 32.33 O ATOM 1111 CB LYS A 73 8.200 10.708 -7.601 1.00 73.43 C ATOM 1112 CG LYS A 73 7.247 9.544 -7.365 1.00 44.23 C ATOM 1113 CD LYS A 73 6.160 9.508 -8.433 1.00 51.21 C ATOM 1114 CE LYS A 73 5.326 8.238 -8.361 1.00 2.14 C ATOM 1115 NZ LYS A 73 6.138 7.023 -8.635 1.00 74.44 N ATOM 0 H LYS A 73 9.174 9.001 -5.590 1.00 11.24 H new ATOM 0 HA LYS A 73 10.124 11.399 -7.042 1.00 44.21 H new ATOM 0 HB2 LYS A 73 7.625 11.634 -7.615 1.00 73.43 H new ATOM 0 HB3 LYS A 73 8.650 10.597 -8.587 1.00 73.43 H new ATOM 0 HG2 LYS A 73 7.802 8.606 -7.374 1.00 44.23 H new ATOM 0 HG3 LYS A 73 6.791 9.636 -6.379 1.00 44.23 H new ATOM 0 HD2 LYS A 73 5.510 10.375 -8.316 1.00 51.21 H new ATOM 0 HD3 LYS A 73 6.619 9.584 -9.419 1.00 51.21 H new ATOM 0 HE2 LYS A 73 4.874 8.157 -7.373 1.00 2.14 H new ATOM 0 HE3 LYS A 73 4.510 8.299 -9.081 1.00 2.14 H new ATOM 0 HZ1 LYS A 73 5.686 6.466 -9.388 1.00 74.44 H new ATOM 0 HZ2 LYS A 73 7.093 7.304 -8.937 1.00 74.44 H new ATOM 0 HZ3 LYS A 73 6.204 6.447 -7.771 1.00 74.44 H new ATOM 1129 N LYS A 74 9.686 12.555 -4.922 1.00 64.34 N ATOM 1130 CA LYS A 74 9.467 13.324 -3.701 1.00 24.25 C ATOM 1131 C LYS A 74 8.234 14.219 -3.797 1.00 13.30 C ATOM 1132 O LYS A 74 8.334 15.427 -4.023 1.00 54.51 O ATOM 1133 CB LYS A 74 10.704 14.166 -3.384 1.00 51.05 C ATOM 1134 CG LYS A 74 11.964 13.345 -3.157 1.00 43.34 C ATOM 1135 CD LYS A 74 13.192 14.232 -3.042 1.00 43.24 C ATOM 1136 CE LYS A 74 13.085 15.197 -1.871 1.00 50.22 C ATOM 1137 NZ LYS A 74 14.201 16.175 -1.862 1.00 34.12 N ATOM 0 H LYS A 74 10.532 12.818 -5.428 1.00 64.34 H new ATOM 0 HA LYS A 74 9.291 12.613 -2.894 1.00 24.25 H new ATOM 0 HB2 LYS A 74 10.878 14.862 -4.204 1.00 51.05 H new ATOM 0 HB3 LYS A 74 10.506 14.764 -2.495 1.00 51.05 H new ATOM 0 HG2 LYS A 74 11.855 12.753 -2.248 1.00 43.34 H new ATOM 0 HG3 LYS A 74 12.096 12.644 -3.981 1.00 43.34 H new ATOM 0 HD2 LYS A 74 14.079 13.610 -2.921 1.00 43.24 H new ATOM 0 HD3 LYS A 74 13.321 14.795 -3.966 1.00 43.24 H new ATOM 0 HE2 LYS A 74 12.135 15.729 -1.924 1.00 50.22 H new ATOM 0 HE3 LYS A 74 13.085 14.636 -0.936 1.00 50.22 H new ATOM 0 HZ1 LYS A 74 14.094 16.816 -1.050 1.00 34.12 H new ATOM 0 HZ2 LYS A 74 15.106 15.668 -1.787 1.00 34.12 H new ATOM 0 HZ3 LYS A 74 14.186 16.727 -2.743 1.00 34.12 H new ATOM 1151 N GLN A 75 7.075 13.609 -3.640 1.00 22.23 N ATOM 1152 CA GLN A 75 5.816 14.324 -3.622 1.00 2.22 C ATOM 1153 C GLN A 75 5.012 13.880 -2.413 1.00 64.31 C ATOM 1154 O GLN A 75 5.171 12.755 -1.942 1.00 44.43 O ATOM 1155 CB GLN A 75 5.032 14.058 -4.914 1.00 34.10 C ATOM 1156 CG GLN A 75 5.751 14.537 -6.168 1.00 62.25 C ATOM 1157 CD GLN A 75 5.059 14.120 -7.452 1.00 63.51 C ATOM 1158 OE1 GLN A 75 5.708 13.918 -8.478 1.00 11.35 O ATOM 1159 NE2 GLN A 75 3.742 13.993 -7.408 1.00 1.04 N ATOM 0 H GLN A 75 6.981 12.600 -3.521 1.00 22.23 H new ATOM 0 HA GLN A 75 6.007 15.395 -3.557 1.00 2.22 H new ATOM 0 HB2 GLN A 75 4.841 12.988 -5.000 1.00 34.10 H new ATOM 0 HB3 GLN A 75 4.062 14.551 -4.850 1.00 34.10 H new ATOM 0 HG2 GLN A 75 5.828 15.624 -6.141 1.00 62.25 H new ATOM 0 HG3 GLN A 75 6.768 14.145 -6.168 1.00 62.25 H new ATOM 0 HE21 GLN A 75 3.241 14.170 -6.537 1.00 1.04 H new ATOM 0 HE22 GLN A 75 3.228 13.718 -8.245 1.00 1.04 H new ATOM 1168 N HIS A 76 4.172 14.758 -1.901 1.00 12.54 N ATOM 1169 CA HIS A 76 3.366 14.439 -0.728 1.00 24.30 C ATOM 1170 C HIS A 76 2.044 13.800 -1.135 1.00 5.31 C ATOM 1171 O HIS A 76 1.079 14.497 -1.428 1.00 65.11 O ATOM 1172 CB HIS A 76 3.105 15.693 0.111 1.00 52.23 C ATOM 1173 CG HIS A 76 4.319 16.230 0.806 1.00 34.31 C ATOM 1174 ND1 HIS A 76 5.275 16.997 0.175 1.00 73.01 N ATOM 1175 CD2 HIS A 76 4.721 16.120 2.094 1.00 72.21 C ATOM 1176 CE1 HIS A 76 6.209 17.336 1.043 1.00 54.12 C ATOM 1177 NE2 HIS A 76 5.899 16.817 2.215 1.00 32.21 N ATOM 0 H HIS A 76 4.027 15.696 -2.274 1.00 12.54 H new ATOM 0 HA HIS A 76 3.926 13.725 -0.124 1.00 24.30 H new ATOM 0 HB2 HIS A 76 2.696 16.470 -0.535 1.00 52.23 H new ATOM 0 HB3 HIS A 76 2.344 15.465 0.857 1.00 52.23 H new ATOM 0 HD1 HIS A 76 5.262 17.261 -0.810 1.00 73.01 H new ATOM 0 HD2 HIS A 76 4.211 15.584 2.880 1.00 72.21 H new ATOM 0 HE1 HIS A 76 7.080 17.937 0.830 1.00 54.12 H new ATOM 1186 N PHE A 77 2.014 12.476 -1.175 1.00 71.01 N ATOM 1187 CA PHE A 77 0.793 11.747 -1.517 1.00 41.24 C ATOM 1188 C PHE A 77 -0.131 11.700 -0.308 1.00 61.33 C ATOM 1189 O PHE A 77 0.255 11.206 0.747 1.00 21.34 O ATOM 1190 CB PHE A 77 1.118 10.317 -1.969 1.00 41.33 C ATOM 1191 CG PHE A 77 1.971 10.228 -3.207 1.00 32.11 C ATOM 1192 CD1 PHE A 77 3.322 10.535 -3.160 1.00 33.25 C ATOM 1193 CD2 PHE A 77 1.426 9.818 -4.412 1.00 11.52 C ATOM 1194 CE1 PHE A 77 4.110 10.443 -4.292 1.00 11.11 C ATOM 1195 CE2 PHE A 77 2.211 9.725 -5.549 1.00 1.12 C ATOM 1196 CZ PHE A 77 3.555 10.037 -5.488 1.00 55.14 C ATOM 0 H PHE A 77 2.818 11.881 -0.976 1.00 71.01 H new ATOM 0 HA PHE A 77 0.300 12.267 -2.339 1.00 41.24 H new ATOM 0 HB2 PHE A 77 1.627 9.800 -1.155 1.00 41.33 H new ATOM 0 HB3 PHE A 77 0.183 9.786 -2.149 1.00 41.33 H new ATOM 0 HD1 PHE A 77 3.765 10.850 -2.227 1.00 33.25 H new ATOM 0 HD2 PHE A 77 0.377 9.568 -4.466 1.00 11.52 H new ATOM 0 HE1 PHE A 77 5.160 10.689 -4.240 1.00 11.11 H new ATOM 0 HE2 PHE A 77 1.772 9.408 -6.484 1.00 1.12 H new ATOM 0 HZ PHE A 77 4.169 9.963 -6.373 1.00 55.14 H new ATOM 1206 N ARG A 78 -1.344 12.215 -0.454 1.00 4.44 N ATOM 1207 CA ARG A 78 -2.278 12.253 0.661 1.00 45.44 C ATOM 1208 C ARG A 78 -2.945 10.897 0.847 1.00 43.44 C ATOM 1209 O ARG A 78 -3.593 10.383 -0.065 1.00 53.40 O ATOM 1210 CB ARG A 78 -3.340 13.328 0.447 1.00 52.21 C ATOM 1211 CG ARG A 78 -4.188 13.577 1.682 1.00 21.14 C ATOM 1212 CD ARG A 78 -5.162 14.719 1.471 1.00 12.22 C ATOM 1213 NE ARG A 78 -5.966 14.962 2.658 1.00 13.34 N ATOM 1214 CZ ARG A 78 -7.236 15.358 2.633 1.00 54.31 C ATOM 1215 NH1 ARG A 78 -7.863 15.537 1.476 1.00 74.21 N ATOM 1216 NH2 ARG A 78 -7.875 15.584 3.770 1.00 44.41 N ATOM 0 H ARG A 78 -1.701 12.608 -1.325 1.00 4.44 H new ATOM 0 HA ARG A 78 -1.713 12.497 1.561 1.00 45.44 H new ATOM 0 HB2 ARG A 78 -2.854 14.258 0.153 1.00 52.21 H new ATOM 0 HB3 ARG A 78 -3.988 13.032 -0.378 1.00 52.21 H new ATOM 0 HG2 ARG A 78 -4.739 12.671 1.934 1.00 21.14 H new ATOM 0 HG3 ARG A 78 -3.540 13.803 2.529 1.00 21.14 H new ATOM 0 HD2 ARG A 78 -4.612 15.624 1.212 1.00 12.22 H new ATOM 0 HD3 ARG A 78 -5.815 14.490 0.629 1.00 12.22 H new ATOM 0 HE ARG A 78 -5.528 14.820 3.568 1.00 13.34 H new ATOM 0 HH11 ARG A 78 -7.371 15.371 0.598 1.00 74.21 H new ATOM 0 HH12 ARG A 78 -8.837 15.841 1.465 1.00 74.21 H new ATOM 0 HH21 ARG A 78 -7.394 15.454 4.660 1.00 44.41 H new ATOM 0 HH22 ARG A 78 -8.849 15.888 3.756 1.00 44.41 H new ATOM 1230 N LEU A 79 -2.800 10.336 2.040 1.00 62.11 N ATOM 1231 CA LEU A 79 -3.324 9.006 2.337 1.00 33.13 C ATOM 1232 C LEU A 79 -4.840 9.033 2.516 1.00 23.40 C ATOM 1233 O LEU A 79 -5.497 7.998 2.474 1.00 31.31 O ATOM 1234 CB LEU A 79 -2.666 8.455 3.602 1.00 54.02 C ATOM 1235 CG LEU A 79 -1.136 8.425 3.580 1.00 55.13 C ATOM 1236 CD1 LEU A 79 -0.595 7.911 4.904 1.00 44.31 C ATOM 1237 CD2 LEU A 79 -0.632 7.565 2.432 1.00 44.24 C ATOM 0 H LEU A 79 -2.322 10.782 2.822 1.00 62.11 H new ATOM 0 HA LEU A 79 -3.092 8.358 1.492 1.00 33.13 H new ATOM 0 HB2 LEU A 79 -2.990 9.056 4.452 1.00 54.02 H new ATOM 0 HB3 LEU A 79 -3.031 7.442 3.770 1.00 54.02 H new ATOM 0 HG LEU A 79 -0.777 9.443 3.430 1.00 55.13 H new ATOM 0 HD11 LEU A 79 0.494 7.896 4.871 1.00 44.31 H new ATOM 0 HD12 LEU A 79 -0.925 8.566 5.711 1.00 44.31 H new ATOM 0 HD13 LEU A 79 -0.966 6.902 5.082 1.00 44.31 H new ATOM 0 HD21 LEU A 79 0.458 7.557 2.435 1.00 44.24 H new ATOM 0 HD22 LEU A 79 -1.002 6.547 2.550 1.00 44.24 H new ATOM 0 HD23 LEU A 79 -0.990 7.974 1.487 1.00 44.24 H new ATOM 1249 N TYR A 80 -5.384 10.226 2.713 1.00 5.42 N ATOM 1250 CA TYR A 80 -6.816 10.391 2.952 1.00 24.13 C ATOM 1251 C TYR A 80 -7.502 10.990 1.719 1.00 71.54 C ATOM 1252 O TYR A 80 -8.639 11.462 1.784 1.00 11.13 O ATOM 1253 CB TYR A 80 -7.021 11.281 4.189 1.00 34.25 C ATOM 1254 CG TYR A 80 -8.459 11.407 4.650 1.00 42.02 C ATOM 1255 CD1 TYR A 80 -9.170 10.300 5.101 1.00 15.34 C ATOM 1256 CD2 TYR A 80 -9.107 12.636 4.630 1.00 44.44 C ATOM 1257 CE1 TYR A 80 -10.485 10.416 5.517 1.00 72.12 C ATOM 1258 CE2 TYR A 80 -10.418 12.760 5.041 1.00 45.04 C ATOM 1259 CZ TYR A 80 -11.104 11.649 5.486 1.00 70.20 C ATOM 1260 OH TYR A 80 -12.413 11.773 5.891 1.00 73.33 O ATOM 0 H TYR A 80 -4.855 11.098 2.712 1.00 5.42 H new ATOM 0 HA TYR A 80 -7.270 9.417 3.138 1.00 24.13 H new ATOM 0 HB2 TYR A 80 -6.425 10.881 5.009 1.00 34.25 H new ATOM 0 HB3 TYR A 80 -6.636 12.277 3.971 1.00 34.25 H new ATOM 0 HD1 TYR A 80 -8.688 9.334 5.127 1.00 15.34 H new ATOM 0 HD2 TYR A 80 -8.574 13.510 4.286 1.00 44.44 H new ATOM 0 HE1 TYR A 80 -11.024 9.547 5.864 1.00 72.12 H new ATOM 0 HE2 TYR A 80 -10.906 13.723 5.014 1.00 45.04 H new ATOM 0 HH TYR A 80 -12.694 12.708 5.807 1.00 73.33 H new ATOM 1270 N ASP A 81 -6.819 10.940 0.581 1.00 15.41 N ATOM 1271 CA ASP A 81 -7.348 11.528 -0.647 1.00 73.10 C ATOM 1272 C ASP A 81 -6.891 10.747 -1.873 1.00 41.43 C ATOM 1273 O ASP A 81 -7.701 10.138 -2.573 1.00 21.15 O ATOM 1274 CB ASP A 81 -6.897 12.986 -0.760 1.00 73.04 C ATOM 1275 CG ASP A 81 -7.391 13.675 -2.016 1.00 53.22 C ATOM 1276 OD1 ASP A 81 -6.794 13.462 -3.088 1.00 1.55 O ATOM 1277 OD2 ASP A 81 -8.349 14.466 -1.926 1.00 0.04 O ATOM 0 H ASP A 81 -5.903 10.502 0.482 1.00 15.41 H new ATOM 0 HA ASP A 81 -8.436 11.485 -0.604 1.00 73.10 H new ATOM 0 HB2 ASP A 81 -7.252 13.537 0.111 1.00 73.04 H new ATOM 0 HB3 ASP A 81 -5.808 13.024 -0.738 1.00 73.04 H new ATOM 1282 N GLY A 82 -5.590 10.766 -2.119 1.00 13.21 N ATOM 1283 CA GLY A 82 -5.042 10.113 -3.289 1.00 3.33 C ATOM 1284 C GLY A 82 -4.175 11.052 -4.104 1.00 41.01 C ATOM 1285 O GLY A 82 -3.227 10.621 -4.760 1.00 13.43 O ATOM 0 H GLY A 82 -4.900 11.225 -1.525 1.00 13.21 H new ATOM 0 HA2 GLY A 82 -4.452 9.250 -2.981 1.00 3.33 H new ATOM 0 HA3 GLY A 82 -5.855 9.738 -3.910 1.00 3.33 H new ATOM 1289 N PHE A 83 -4.501 12.339 -4.060 1.00 60.15 N ATOM 1290 CA PHE A 83 -3.738 13.343 -4.789 1.00 13.12 C ATOM 1291 C PHE A 83 -2.374 13.551 -4.134 1.00 40.23 C ATOM 1292 O PHE A 83 -2.210 13.333 -2.931 1.00 50.53 O ATOM 1293 CB PHE A 83 -4.514 14.662 -4.858 1.00 34.03 C ATOM 1294 CG PHE A 83 -3.956 15.642 -5.852 1.00 54.22 C ATOM 1295 CD1 PHE A 83 -3.970 15.349 -7.206 1.00 3.55 C ATOM 1296 CD2 PHE A 83 -3.414 16.847 -5.438 1.00 41.23 C ATOM 1297 CE1 PHE A 83 -3.455 16.238 -8.129 1.00 64.21 C ATOM 1298 CE2 PHE A 83 -2.895 17.741 -6.356 1.00 12.53 C ATOM 1299 CZ PHE A 83 -2.917 17.435 -7.703 1.00 2.03 C ATOM 0 H PHE A 83 -5.288 12.710 -3.528 1.00 60.15 H new ATOM 0 HA PHE A 83 -3.580 12.988 -5.807 1.00 13.12 H new ATOM 0 HB2 PHE A 83 -5.552 14.449 -5.115 1.00 34.03 H new ATOM 0 HB3 PHE A 83 -4.518 15.123 -3.870 1.00 34.03 H new ATOM 0 HD1 PHE A 83 -4.389 14.413 -7.544 1.00 3.55 H new ATOM 0 HD2 PHE A 83 -3.396 17.091 -4.386 1.00 41.23 H new ATOM 0 HE1 PHE A 83 -3.473 15.997 -9.182 1.00 64.21 H new ATOM 0 HE2 PHE A 83 -2.473 18.677 -6.021 1.00 12.53 H new ATOM 0 HZ PHE A 83 -2.513 18.132 -8.422 1.00 2.03 H new ATOM 1309 N CYS A 84 -1.404 13.982 -4.925 1.00 54.00 N ATOM 1310 CA CYS A 84 -0.021 14.053 -4.478 1.00 34.31 C ATOM 1311 C CYS A 84 0.374 15.479 -4.083 1.00 62.54 C ATOM 1312 O CYS A 84 1.547 15.841 -4.168 1.00 73.15 O ATOM 1313 CB CYS A 84 0.887 13.551 -5.598 1.00 44.45 C ATOM 1314 SG CYS A 84 0.198 12.157 -6.520 1.00 63.13 S ATOM 0 H CYS A 84 -1.550 14.290 -5.886 1.00 54.00 H new ATOM 0 HA CYS A 84 0.090 13.427 -3.593 1.00 34.31 H new ATOM 0 HB2 CYS A 84 1.084 14.371 -6.289 1.00 44.45 H new ATOM 0 HB3 CYS A 84 1.846 13.255 -5.172 1.00 44.45 H new ATOM 0 HG CYS A 84 0.675 11.045 -6.046 1.00 63.13 H new ATOM 1320 N LEU A 85 -0.612 16.254 -3.614 1.00 0.33 N ATOM 1321 CA LEU A 85 -0.424 17.653 -3.191 1.00 52.42 C ATOM 1322 C LEU A 85 0.231 18.531 -4.262 1.00 5.25 C ATOM 1323 O LEU A 85 -0.442 19.286 -4.964 1.00 22.20 O ATOM 1324 CB LEU A 85 0.403 17.723 -1.900 1.00 51.20 C ATOM 1325 CG LEU A 85 0.646 19.133 -1.350 1.00 71.02 C ATOM 1326 CD1 LEU A 85 -0.670 19.828 -1.036 1.00 13.20 C ATOM 1327 CD2 LEU A 85 1.526 19.072 -0.114 1.00 4.12 C ATOM 0 H LEU A 85 -1.573 15.927 -3.515 1.00 0.33 H new ATOM 0 HA LEU A 85 -1.425 18.048 -3.018 1.00 52.42 H new ATOM 0 HB2 LEU A 85 -0.101 17.134 -1.133 1.00 51.20 H new ATOM 0 HB3 LEU A 85 1.369 17.251 -2.081 1.00 51.20 H new ATOM 0 HG LEU A 85 1.160 19.715 -2.115 1.00 71.02 H new ATOM 0 HD11 LEU A 85 -0.470 20.827 -0.647 1.00 13.20 H new ATOM 0 HD12 LEU A 85 -1.267 19.905 -1.945 1.00 13.20 H new ATOM 0 HD13 LEU A 85 -1.217 19.251 -0.290 1.00 13.20 H new ATOM 0 HD21 LEU A 85 1.690 20.080 0.266 1.00 4.12 H new ATOM 0 HD22 LEU A 85 1.036 18.471 0.652 1.00 4.12 H new ATOM 0 HD23 LEU A 85 2.484 18.621 -0.371 1.00 4.12 H new ATOM 1339 N GLU A 86 1.545 18.417 -4.372 1.00 3.24 N ATOM 1340 CA GLU A 86 2.353 19.309 -5.188 1.00 25.13 C ATOM 1341 C GLU A 86 2.169 19.036 -6.677 1.00 34.33 C ATOM 1342 O GLU A 86 2.439 19.900 -7.511 1.00 1.23 O ATOM 1343 CB GLU A 86 3.820 19.126 -4.808 1.00 1.01 C ATOM 1344 CG GLU A 86 4.077 19.289 -3.320 1.00 24.11 C ATOM 1345 CD GLU A 86 5.374 18.650 -2.881 1.00 12.41 C ATOM 1346 OE1 GLU A 86 6.435 19.288 -3.020 1.00 44.31 O ATOM 1347 OE2 GLU A 86 5.333 17.504 -2.387 1.00 74.23 O ATOM 0 H GLU A 86 2.085 17.696 -3.893 1.00 3.24 H new ATOM 0 HA GLU A 86 2.033 20.334 -5.001 1.00 25.13 H new ATOM 0 HB2 GLU A 86 4.149 18.135 -5.121 1.00 1.01 H new ATOM 0 HB3 GLU A 86 4.424 19.850 -5.356 1.00 1.01 H new ATOM 0 HG2 GLU A 86 4.097 20.350 -3.073 1.00 24.11 H new ATOM 0 HG3 GLU A 86 3.251 18.847 -2.762 1.00 24.11 H new ATOM 1354 N ASP A 87 1.716 17.835 -6.998 1.00 74.32 N ATOM 1355 CA ASP A 87 1.547 17.416 -8.384 1.00 64.33 C ATOM 1356 C ASP A 87 0.710 16.143 -8.413 1.00 5.51 C ATOM 1357 O ASP A 87 0.017 15.834 -7.443 1.00 24.32 O ATOM 1358 CB ASP A 87 2.920 17.166 -9.025 1.00 50.31 C ATOM 1359 CG ASP A 87 2.929 17.400 -10.524 1.00 52.12 C ATOM 1360 OD1 ASP A 87 2.409 16.551 -11.273 1.00 23.43 O ATOM 1361 OD2 ASP A 87 3.452 18.449 -10.959 1.00 4.43 O ATOM 0 H ASP A 87 1.456 17.126 -6.312 1.00 74.32 H new ATOM 0 HA ASP A 87 1.040 18.198 -8.950 1.00 64.33 H new ATOM 0 HB2 ASP A 87 3.657 17.819 -8.557 1.00 50.31 H new ATOM 0 HB3 ASP A 87 3.228 16.140 -8.822 1.00 50.31 H new ATOM 1366 N GLY A 88 0.780 15.410 -9.510 1.00 52.11 N ATOM 1367 CA GLY A 88 0.117 14.141 -9.596 1.00 41.14 C ATOM 1368 C GLY A 88 1.113 13.052 -9.904 1.00 0.11 C ATOM 1369 O GLY A 88 2.305 13.212 -9.631 1.00 1.31 O ATOM 0 H GLY A 88 1.292 15.681 -10.349 1.00 52.11 H new ATOM 0 HA2 GLY A 88 -0.391 13.924 -8.656 1.00 41.14 H new ATOM 0 HA3 GLY A 88 -0.648 14.174 -10.372 1.00 41.14 H new ATOM 1373 N ALA A 89 0.628 11.978 -10.498 1.00 33.11 N ATOM 1374 CA ALA A 89 1.446 10.814 -10.835 1.00 33.25 C ATOM 1375 C ALA A 89 0.560 9.676 -11.310 1.00 30.33 C ATOM 1376 O ALA A 89 0.562 9.310 -12.485 1.00 75.40 O ATOM 1377 CB ALA A 89 2.273 10.346 -9.640 1.00 2.15 C ATOM 0 H ALA A 89 -0.352 11.882 -10.765 1.00 33.11 H new ATOM 0 HA ALA A 89 2.129 11.109 -11.631 1.00 33.25 H new ATOM 0 HB1 ALA A 89 2.869 9.479 -9.927 1.00 2.15 H new ATOM 0 HB2 ALA A 89 2.934 11.150 -9.318 1.00 2.15 H new ATOM 0 HB3 ALA A 89 1.607 10.074 -8.821 1.00 2.15 H new ATOM 1383 N TYR A 90 -0.205 9.133 -10.378 1.00 13.24 N ATOM 1384 CA TYR A 90 -1.088 8.016 -10.641 1.00 63.41 C ATOM 1385 C TYR A 90 -2.314 8.146 -9.755 1.00 41.32 C ATOM 1386 O TYR A 90 -2.217 8.001 -8.540 1.00 3.11 O ATOM 1387 CB TYR A 90 -0.399 6.673 -10.347 1.00 64.33 C ATOM 1388 CG TYR A 90 0.814 6.370 -11.200 1.00 34.40 C ATOM 1389 CD1 TYR A 90 0.678 5.940 -12.515 1.00 51.40 C ATOM 1390 CD2 TYR A 90 2.096 6.491 -10.681 1.00 31.11 C ATOM 1391 CE1 TYR A 90 1.786 5.638 -13.285 1.00 61.21 C ATOM 1392 CE2 TYR A 90 3.207 6.197 -11.445 1.00 30.32 C ATOM 1393 CZ TYR A 90 3.048 5.772 -12.745 1.00 15.40 C ATOM 1394 OH TYR A 90 4.153 5.464 -13.505 1.00 51.43 O ATOM 0 H TYR A 90 -0.229 9.459 -9.412 1.00 13.24 H new ATOM 0 HA TYR A 90 -1.364 8.034 -11.695 1.00 63.41 H new ATOM 0 HB2 TYR A 90 -0.099 6.659 -9.299 1.00 64.33 H new ATOM 0 HB3 TYR A 90 -1.127 5.873 -10.481 1.00 64.33 H new ATOM 0 HD1 TYR A 90 -0.309 5.840 -12.942 1.00 51.40 H new ATOM 0 HD2 TYR A 90 2.226 6.821 -9.661 1.00 31.11 H new ATOM 0 HE1 TYR A 90 1.664 5.299 -14.303 1.00 61.21 H new ATOM 0 HE2 TYR A 90 4.197 6.300 -11.025 1.00 30.32 H new ATOM 0 HH TYR A 90 4.965 5.614 -12.977 1.00 51.43 H new ATOM 1404 N SER A 91 -3.443 8.474 -10.357 1.00 74.31 N ATOM 1405 CA SER A 91 -4.706 8.553 -9.632 1.00 12.41 C ATOM 1406 C SER A 91 -5.011 7.222 -8.943 1.00 65.05 C ATOM 1407 O SER A 91 -5.363 6.237 -9.599 1.00 30.01 O ATOM 1408 CB SER A 91 -5.830 8.919 -10.602 1.00 30.22 C ATOM 1409 OG SER A 91 -5.452 10.017 -11.419 1.00 5.11 O ATOM 0 H SER A 91 -3.515 8.692 -11.351 1.00 74.31 H new ATOM 0 HA SER A 91 -4.629 9.324 -8.865 1.00 12.41 H new ATOM 0 HB2 SER A 91 -6.071 8.060 -11.228 1.00 30.22 H new ATOM 0 HB3 SER A 91 -6.732 9.169 -10.043 1.00 30.22 H new ATOM 0 HG SER A 91 -6.184 10.235 -12.034 1.00 5.11 H new ATOM 1415 N VAL A 92 -4.841 7.189 -7.628 1.00 60.20 N ATOM 1416 CA VAL A 92 -5.059 5.972 -6.860 1.00 15.24 C ATOM 1417 C VAL A 92 -6.474 5.929 -6.297 1.00 51.33 C ATOM 1418 O VAL A 92 -7.114 6.967 -6.115 1.00 10.33 O ATOM 1419 CB VAL A 92 -4.041 5.830 -5.704 1.00 30.35 C ATOM 1420 CG1 VAL A 92 -2.624 5.724 -6.248 1.00 32.23 C ATOM 1421 CG2 VAL A 92 -4.152 6.994 -4.730 1.00 53.43 C ATOM 0 H VAL A 92 -4.552 7.993 -7.071 1.00 60.20 H new ATOM 0 HA VAL A 92 -4.918 5.137 -7.547 1.00 15.24 H new ATOM 0 HB VAL A 92 -4.274 4.913 -5.163 1.00 30.35 H new ATOM 0 HG11 VAL A 92 -1.923 5.625 -5.420 1.00 32.23 H new ATOM 0 HG12 VAL A 92 -2.547 4.850 -6.895 1.00 32.23 H new ATOM 0 HG13 VAL A 92 -2.386 6.621 -6.820 1.00 32.23 H new ATOM 0 HG21 VAL A 92 -3.425 6.868 -3.928 1.00 53.43 H new ATOM 0 HG22 VAL A 92 -3.954 7.928 -5.255 1.00 53.43 H new ATOM 0 HG23 VAL A 92 -5.157 7.021 -4.308 1.00 53.43 H new ATOM 1431 N ALA A 93 -6.953 4.726 -6.021 1.00 35.12 N ATOM 1432 CA ALA A 93 -8.312 4.537 -5.537 1.00 3.42 C ATOM 1433 C ALA A 93 -8.342 4.309 -4.030 1.00 51.53 C ATOM 1434 O ALA A 93 -7.718 3.374 -3.516 1.00 63.45 O ATOM 1435 CB ALA A 93 -8.975 3.371 -6.257 1.00 32.01 C ATOM 0 H ALA A 93 -6.419 3.863 -6.124 1.00 35.12 H new ATOM 0 HA ALA A 93 -8.868 5.450 -5.750 1.00 3.42 H new ATOM 0 HB1 ALA A 93 -9.991 3.243 -5.883 1.00 32.01 H new ATOM 0 HB2 ALA A 93 -9.005 3.574 -7.328 1.00 32.01 H new ATOM 0 HB3 ALA A 93 -8.404 2.460 -6.076 1.00 32.01 H new ATOM 1441 N ALA A 94 -9.058 5.174 -3.329 1.00 70.30 N ATOM 1442 CA ALA A 94 -9.254 5.035 -1.899 1.00 33.15 C ATOM 1443 C ALA A 94 -10.555 4.298 -1.620 1.00 25.22 C ATOM 1444 O ALA A 94 -11.636 4.890 -1.612 1.00 0.33 O ATOM 1445 CB ALA A 94 -9.258 6.396 -1.218 1.00 44.44 C ATOM 0 H ALA A 94 -9.517 5.989 -3.736 1.00 70.30 H new ATOM 0 HA ALA A 94 -8.426 4.455 -1.492 1.00 33.15 H new ATOM 0 HB1 ALA A 94 -9.407 6.266 -0.146 1.00 44.44 H new ATOM 0 HB2 ALA A 94 -8.305 6.894 -1.394 1.00 44.44 H new ATOM 0 HB3 ALA A 94 -10.066 7.004 -1.625 1.00 44.44 H new ATOM 1451 N TYR A 95 -10.444 2.994 -1.440 1.00 54.24 N ATOM 1452 CA TYR A 95 -11.602 2.154 -1.150 1.00 22.21 C ATOM 1453 C TYR A 95 -12.064 2.323 0.294 1.00 34.55 C ATOM 1454 O TYR A 95 -11.337 2.852 1.136 1.00 72.12 O ATOM 1455 CB TYR A 95 -11.277 0.684 -1.408 1.00 51.43 C ATOM 1456 CG TYR A 95 -11.060 0.349 -2.866 1.00 43.23 C ATOM 1457 CD1 TYR A 95 -12.117 0.378 -3.768 1.00 13.32 C ATOM 1458 CD2 TYR A 95 -9.803 -0.006 -3.338 1.00 11.44 C ATOM 1459 CE1 TYR A 95 -11.926 0.069 -5.101 1.00 64.32 C ATOM 1460 CE2 TYR A 95 -9.605 -0.318 -4.668 1.00 52.42 C ATOM 1461 CZ TYR A 95 -10.669 -0.282 -5.546 1.00 51.43 C ATOM 1462 OH TYR A 95 -10.476 -0.594 -6.873 1.00 52.15 O ATOM 0 H TYR A 95 -9.560 2.487 -1.489 1.00 54.24 H new ATOM 0 HA TYR A 95 -12.407 2.470 -1.813 1.00 22.21 H new ATOM 0 HB2 TYR A 95 -10.381 0.417 -0.847 1.00 51.43 H new ATOM 0 HB3 TYR A 95 -12.090 0.070 -1.022 1.00 51.43 H new ATOM 0 HD1 TYR A 95 -13.104 0.647 -3.421 1.00 13.32 H new ATOM 0 HD2 TYR A 95 -8.968 -0.038 -2.654 1.00 11.44 H new ATOM 0 HE1 TYR A 95 -12.757 0.102 -5.791 1.00 64.32 H new ATOM 0 HE2 TYR A 95 -8.621 -0.589 -5.020 1.00 52.42 H new ATOM 0 HH TYR A 95 -10.107 -1.499 -6.946 1.00 52.15 H new ATOM 1472 N ASP A 96 -13.276 1.862 0.571 1.00 1.32 N ATOM 1473 CA ASP A 96 -13.825 1.911 1.918 1.00 23.54 C ATOM 1474 C ASP A 96 -13.377 0.676 2.691 1.00 10.51 C ATOM 1475 O ASP A 96 -13.449 -0.443 2.185 1.00 21.34 O ATOM 1476 CB ASP A 96 -15.352 1.995 1.873 1.00 32.21 C ATOM 1477 CG ASP A 96 -15.956 2.374 3.212 1.00 34.45 C ATOM 1478 OD1 ASP A 96 -15.770 3.530 3.644 1.00 73.04 O ATOM 1479 OD2 ASP A 96 -16.636 1.531 3.826 1.00 21.12 O ATOM 0 H ASP A 96 -13.899 1.448 -0.122 1.00 1.32 H new ATOM 0 HA ASP A 96 -13.455 2.803 2.424 1.00 23.54 H new ATOM 0 HB2 ASP A 96 -15.650 2.729 1.124 1.00 32.21 H new ATOM 0 HB3 ASP A 96 -15.756 1.034 1.556 1.00 32.21 H new ATOM 1484 N THR A 97 -12.893 0.886 3.901 1.00 10.32 N ATOM 1485 CA THR A 97 -12.294 -0.182 4.692 1.00 45.40 C ATOM 1486 C THR A 97 -12.918 -0.251 6.083 1.00 53.24 C ATOM 1487 O THR A 97 -13.259 0.779 6.665 1.00 44.24 O ATOM 1488 CB THR A 97 -10.776 0.050 4.839 1.00 3.44 C ATOM 1489 OG1 THR A 97 -10.526 1.345 5.405 1.00 51.23 O ATOM 1490 CG2 THR A 97 -10.077 -0.049 3.496 1.00 35.13 C ATOM 0 H THR A 97 -12.902 1.795 4.364 1.00 10.32 H new ATOM 0 HA THR A 97 -12.478 -1.122 4.171 1.00 45.40 H new ATOM 0 HB THR A 97 -10.383 -0.723 5.499 1.00 3.44 H new ATOM 0 HG1 THR A 97 -9.560 1.481 5.496 1.00 51.23 H new ATOM 0 HG21 THR A 97 -9.008 0.119 3.629 1.00 35.13 H new ATOM 0 HG22 THR A 97 -10.239 -1.041 3.074 1.00 35.13 H new ATOM 0 HG23 THR A 97 -10.481 0.704 2.819 1.00 35.13 H new ATOM 1498 N GLN A 98 -13.060 -1.453 6.614 1.00 23.35 N ATOM 1499 CA GLN A 98 -13.558 -1.631 7.970 1.00 20.35 C ATOM 1500 C GLN A 98 -12.722 -2.658 8.718 1.00 1.34 C ATOM 1501 O GLN A 98 -12.176 -3.588 8.120 1.00 44.15 O ATOM 1502 CB GLN A 98 -15.027 -2.060 7.967 1.00 45.01 C ATOM 1503 CG GLN A 98 -15.291 -3.362 7.223 1.00 32.40 C ATOM 1504 CD GLN A 98 -16.728 -3.832 7.349 1.00 2.13 C ATOM 1505 OE1 GLN A 98 -17.008 -5.033 7.310 1.00 25.20 O ATOM 1506 NE2 GLN A 98 -17.648 -2.890 7.506 1.00 20.11 N ATOM 0 H GLN A 98 -12.838 -2.322 6.128 1.00 23.35 H new ATOM 0 HA GLN A 98 -13.480 -0.670 8.479 1.00 20.35 H new ATOM 0 HB2 GLN A 98 -15.365 -2.167 8.998 1.00 45.01 H new ATOM 0 HB3 GLN A 98 -15.625 -1.268 7.516 1.00 45.01 H new ATOM 0 HG2 GLN A 98 -15.049 -3.228 6.169 1.00 32.40 H new ATOM 0 HG3 GLN A 98 -14.626 -4.135 7.607 1.00 32.40 H new ATOM 0 HE21 GLN A 98 -17.373 -1.908 7.533 1.00 20.11 H new ATOM 0 HE22 GLN A 98 -18.631 -3.147 7.600 1.00 20.11 H new ATOM 1515 N VAL A 99 -12.612 -2.474 10.022 1.00 13.40 N ATOM 1516 CA VAL A 99 -11.917 -3.426 10.872 1.00 60.44 C ATOM 1517 C VAL A 99 -12.934 -4.263 11.635 1.00 25.44 C ATOM 1518 O VAL A 99 -13.545 -3.795 12.598 1.00 32.41 O ATOM 1519 CB VAL A 99 -10.969 -2.722 11.869 1.00 52.14 C ATOM 1520 CG1 VAL A 99 -10.218 -3.743 12.713 1.00 12.13 C ATOM 1521 CG2 VAL A 99 -9.994 -1.813 11.134 1.00 71.02 C ATOM 0 H VAL A 99 -12.997 -1.670 10.518 1.00 13.40 H new ATOM 0 HA VAL A 99 -11.309 -4.065 10.232 1.00 60.44 H new ATOM 0 HB VAL A 99 -11.574 -2.107 12.536 1.00 52.14 H new ATOM 0 HG11 VAL A 99 -9.557 -3.225 13.408 1.00 12.13 H new ATOM 0 HG12 VAL A 99 -10.931 -4.347 13.273 1.00 12.13 H new ATOM 0 HG13 VAL A 99 -9.628 -4.389 12.063 1.00 12.13 H new ATOM 0 HG21 VAL A 99 -9.336 -1.327 11.854 1.00 71.02 H new ATOM 0 HG22 VAL A 99 -9.398 -2.405 10.439 1.00 71.02 H new ATOM 0 HG23 VAL A 99 -10.549 -1.055 10.581 1.00 71.02 H new ATOM 1531 N THR A 100 -13.131 -5.489 11.188 1.00 74.31 N ATOM 1532 CA THR A 100 -14.116 -6.369 11.786 1.00 2.11 C ATOM 1533 C THR A 100 -13.545 -7.065 13.018 1.00 62.13 C ATOM 1534 O THR A 100 -13.115 -8.220 12.950 1.00 2.40 O ATOM 1535 CB THR A 100 -14.604 -7.415 10.769 1.00 43.32 C ATOM 1536 OG1 THR A 100 -14.860 -6.773 9.514 1.00 74.40 O ATOM 1537 CG2 THR A 100 -15.874 -8.100 11.255 1.00 61.33 C ATOM 0 H THR A 100 -12.618 -5.900 10.408 1.00 74.31 H new ATOM 0 HA THR A 100 -14.965 -5.759 12.093 1.00 2.11 H new ATOM 0 HB THR A 100 -13.828 -8.172 10.653 1.00 43.32 H new ATOM 0 HG1 THR A 100 -15.672 -7.148 9.114 1.00 74.40 H new ATOM 0 HG21 THR A 100 -16.197 -8.834 10.517 1.00 61.33 H new ATOM 0 HG22 THR A 100 -15.677 -8.601 12.203 1.00 61.33 H new ATOM 0 HG23 THR A 100 -16.658 -7.356 11.394 1.00 61.33 H new ATOM 1545 N ASN A 101 -13.494 -6.319 14.124 1.00 44.52 N ATOM 1546 CA ASN A 101 -13.009 -6.812 15.424 1.00 13.22 C ATOM 1547 C ASN A 101 -11.497 -7.015 15.440 1.00 64.33 C ATOM 1548 O ASN A 101 -10.823 -6.632 16.396 1.00 3.43 O ATOM 1549 CB ASN A 101 -13.726 -8.100 15.855 1.00 63.52 C ATOM 1550 CG ASN A 101 -15.160 -7.848 16.274 1.00 21.12 C ATOM 1551 OD1 ASN A 101 -15.507 -6.748 16.697 1.00 40.21 O ATOM 1552 ND2 ASN A 101 -15.999 -8.869 16.182 1.00 44.15 N ATOM 0 H ASN A 101 -13.791 -5.343 14.147 1.00 44.52 H new ATOM 0 HA ASN A 101 -13.247 -6.033 16.148 1.00 13.22 H new ATOM 0 HB2 ASN A 101 -13.711 -8.814 15.032 1.00 63.52 H new ATOM 0 HB3 ASN A 101 -13.183 -8.556 16.683 1.00 63.52 H new ATOM 0 HD21 ASN A 101 -16.972 -8.757 16.468 1.00 44.15 H new ATOM 0 HD22 ASN A 101 -15.672 -9.767 15.825 1.00 44.15 H new ATOM 1559 N GLY A 102 -10.971 -7.609 14.386 1.00 30.34 N ATOM 1560 CA GLY A 102 -9.545 -7.842 14.294 1.00 32.45 C ATOM 1561 C GLY A 102 -9.047 -7.760 12.867 1.00 4.55 C ATOM 1562 O GLY A 102 -8.083 -7.062 12.579 1.00 71.30 O ATOM 0 H GLY A 102 -11.509 -7.938 13.584 1.00 30.34 H new ATOM 0 HA2 GLY A 102 -9.018 -7.109 14.904 1.00 32.45 H new ATOM 0 HA3 GLY A 102 -9.311 -8.825 14.703 1.00 32.45 H new ATOM 1566 N ASN A 103 -9.723 -8.457 11.967 1.00 54.35 N ATOM 1567 CA ASN A 103 -9.320 -8.489 10.566 1.00 73.23 C ATOM 1568 C ASN A 103 -9.797 -7.238 9.835 1.00 53.41 C ATOM 1569 O ASN A 103 -10.806 -6.634 10.202 1.00 62.43 O ATOM 1570 CB ASN A 103 -9.861 -9.746 9.873 1.00 42.22 C ATOM 1571 CG ASN A 103 -11.379 -9.829 9.891 1.00 44.20 C ATOM 1572 OD1 ASN A 103 -12.054 -9.328 8.992 1.00 31.25 O ATOM 1573 ND2 ASN A 103 -11.926 -10.494 10.898 1.00 73.42 N ATOM 0 H ASN A 103 -10.554 -9.009 12.180 1.00 54.35 H new ATOM 0 HA ASN A 103 -8.231 -8.515 10.532 1.00 73.23 H new ATOM 0 HB2 ASN A 103 -9.514 -9.762 8.840 1.00 42.22 H new ATOM 0 HB3 ASN A 103 -9.449 -10.629 10.361 1.00 42.22 H new ATOM 0 HD21 ASN A 103 -12.939 -10.604 10.946 1.00 73.42 H new ATOM 0 HD22 ASN A 103 -11.334 -10.896 11.625 1.00 73.42 H new ATOM 1580 N VAL A 104 -9.063 -6.854 8.805 1.00 12.30 N ATOM 1581 CA VAL A 104 -9.395 -5.670 8.028 1.00 34.03 C ATOM 1582 C VAL A 104 -10.002 -6.066 6.686 1.00 42.51 C ATOM 1583 O VAL A 104 -9.426 -6.867 5.944 1.00 4.33 O ATOM 1584 CB VAL A 104 -8.152 -4.785 7.784 1.00 0.42 C ATOM 1585 CG1 VAL A 104 -8.520 -3.521 7.017 1.00 2.32 C ATOM 1586 CG2 VAL A 104 -7.479 -4.433 9.103 1.00 1.40 C ATOM 0 H VAL A 104 -8.229 -7.347 8.485 1.00 12.30 H new ATOM 0 HA VAL A 104 -10.121 -5.097 8.604 1.00 34.03 H new ATOM 0 HB VAL A 104 -7.448 -5.354 7.177 1.00 0.42 H new ATOM 0 HG11 VAL A 104 -7.626 -2.918 6.860 1.00 2.32 H new ATOM 0 HG12 VAL A 104 -8.949 -3.793 6.052 1.00 2.32 H new ATOM 0 HG13 VAL A 104 -9.249 -2.947 7.589 1.00 2.32 H new ATOM 0 HG21 VAL A 104 -6.606 -3.810 8.911 1.00 1.40 H new ATOM 0 HG22 VAL A 104 -8.181 -3.890 9.736 1.00 1.40 H new ATOM 0 HG23 VAL A 104 -7.168 -5.347 9.608 1.00 1.40 H new ATOM 1596 N GLN A 105 -11.165 -5.507 6.387 1.00 25.32 N ATOM 1597 CA GLN A 105 -11.863 -5.796 5.144 1.00 70.20 C ATOM 1598 C GLN A 105 -12.063 -4.519 4.335 1.00 74.10 C ATOM 1599 O GLN A 105 -12.403 -3.473 4.890 1.00 21.01 O ATOM 1600 CB GLN A 105 -13.221 -6.443 5.431 1.00 23.54 C ATOM 1601 CG GLN A 105 -13.124 -7.737 6.225 1.00 51.02 C ATOM 1602 CD GLN A 105 -14.471 -8.395 6.460 1.00 5.34 C ATOM 1603 OE1 GLN A 105 -14.562 -9.619 6.549 1.00 24.55 O ATOM 1604 NE2 GLN A 105 -15.522 -7.596 6.576 1.00 11.31 N ATOM 0 H GLN A 105 -11.648 -4.845 6.994 1.00 25.32 H new ATOM 0 HA GLN A 105 -11.254 -6.490 4.565 1.00 70.20 H new ATOM 0 HB2 GLN A 105 -13.842 -5.735 5.980 1.00 23.54 H new ATOM 0 HB3 GLN A 105 -13.725 -6.644 4.486 1.00 23.54 H new ATOM 0 HG2 GLN A 105 -12.474 -8.433 5.695 1.00 51.02 H new ATOM 0 HG3 GLN A 105 -12.654 -7.531 7.187 1.00 51.02 H new ATOM 0 HE21 GLN A 105 -15.406 -6.586 6.496 1.00 11.31 H new ATOM 0 HE22 GLN A 105 -16.447 -7.991 6.745 1.00 11.31 H new ATOM 1613 N ILE A 106 -11.838 -4.603 3.032 1.00 74.44 N ATOM 1614 CA ILE A 106 -12.045 -3.465 2.148 1.00 11.21 C ATOM 1615 C ILE A 106 -13.197 -3.750 1.186 1.00 32.13 C ATOM 1616 O ILE A 106 -13.459 -4.906 0.840 1.00 35.14 O ATOM 1617 CB ILE A 106 -10.769 -3.091 1.336 1.00 14.43 C ATOM 1618 CG1 ILE A 106 -10.592 -3.975 0.090 1.00 20.13 C ATOM 1619 CG2 ILE A 106 -9.529 -3.181 2.218 1.00 50.50 C ATOM 1620 CD1 ILE A 106 -10.254 -5.420 0.384 1.00 52.23 C ATOM 0 H ILE A 106 -11.512 -5.448 2.563 1.00 74.44 H new ATOM 0 HA ILE A 106 -12.287 -2.613 2.784 1.00 11.21 H new ATOM 0 HB ILE A 106 -10.898 -2.064 0.995 1.00 14.43 H new ATOM 0 HG12 ILE A 106 -11.511 -3.943 -0.495 1.00 20.13 H new ATOM 0 HG13 ILE A 106 -9.803 -3.550 -0.531 1.00 20.13 H new ATOM 0 HG21 ILE A 106 -8.647 -2.916 1.634 1.00 50.50 H new ATOM 0 HG22 ILE A 106 -9.629 -2.493 3.057 1.00 50.50 H new ATOM 0 HG23 ILE A 106 -9.423 -4.199 2.594 1.00 50.50 H new ATOM 0 HD11 ILE A 106 -10.148 -5.967 -0.553 1.00 52.23 H new ATOM 0 HD12 ILE A 106 -9.318 -5.469 0.940 1.00 52.23 H new ATOM 0 HD13 ILE A 106 -11.052 -5.867 0.977 1.00 52.23 H new ATOM 1632 N SER A 107 -13.894 -2.704 0.780 1.00 55.23 N ATOM 1633 CA SER A 107 -14.962 -2.830 -0.192 1.00 4.15 C ATOM 1634 C SER A 107 -14.373 -2.783 -1.598 1.00 74.10 C ATOM 1635 O SER A 107 -13.964 -1.724 -2.074 1.00 62.11 O ATOM 1636 CB SER A 107 -15.991 -1.709 0.005 1.00 63.32 C ATOM 1637 OG SER A 107 -17.124 -1.887 -0.828 1.00 52.41 O ATOM 0 H SER A 107 -13.737 -1.752 1.112 1.00 55.23 H new ATOM 0 HA SER A 107 -15.471 -3.784 -0.054 1.00 4.15 H new ATOM 0 HB2 SER A 107 -16.306 -1.683 1.048 1.00 63.32 H new ATOM 0 HB3 SER A 107 -15.527 -0.747 -0.212 1.00 63.32 H new ATOM 0 HG SER A 107 -17.760 -1.157 -0.676 1.00 52.41 H new ATOM 1643 N ILE A 108 -14.306 -3.937 -2.246 1.00 33.14 N ATOM 1644 CA ILE A 108 -13.708 -4.027 -3.572 1.00 71.14 C ATOM 1645 C ILE A 108 -14.703 -3.633 -4.655 1.00 52.50 C ATOM 1646 O ILE A 108 -15.909 -3.857 -4.524 1.00 10.32 O ATOM 1647 CB ILE A 108 -13.179 -5.445 -3.874 1.00 74.50 C ATOM 1648 CG1 ILE A 108 -14.295 -6.484 -3.717 1.00 23.11 C ATOM 1649 CG2 ILE A 108 -12.005 -5.771 -2.966 1.00 72.02 C ATOM 1650 CD1 ILE A 108 -13.899 -7.875 -4.167 1.00 71.15 C ATOM 0 H ILE A 108 -14.657 -4.821 -1.878 1.00 33.14 H new ATOM 0 HA ILE A 108 -12.869 -3.331 -3.575 1.00 71.14 H new ATOM 0 HB ILE A 108 -12.835 -5.476 -4.908 1.00 74.50 H new ATOM 0 HG12 ILE A 108 -14.599 -6.523 -2.671 1.00 23.11 H new ATOM 0 HG13 ILE A 108 -15.164 -6.160 -4.289 1.00 23.11 H new ATOM 0 HG21 ILE A 108 -11.640 -6.774 -3.188 1.00 72.02 H new ATOM 0 HG22 ILE A 108 -11.205 -5.049 -3.132 1.00 72.02 H new ATOM 0 HG23 ILE A 108 -12.326 -5.724 -1.925 1.00 72.02 H new ATOM 0 HD11 ILE A 108 -14.739 -8.556 -4.026 1.00 71.15 H new ATOM 0 HD12 ILE A 108 -13.624 -7.852 -5.221 1.00 71.15 H new ATOM 0 HD13 ILE A 108 -13.049 -8.220 -3.578 1.00 71.15 H new ATOM 1662 N ALA A 109 -14.187 -3.037 -5.716 1.00 13.42 N ATOM 1663 CA ALA A 109 -14.999 -2.688 -6.869 1.00 22.32 C ATOM 1664 C ALA A 109 -14.742 -3.676 -7.994 1.00 34.43 C ATOM 1665 O ALA A 109 -13.659 -4.257 -8.082 1.00 32.43 O ATOM 1666 CB ALA A 109 -14.706 -1.266 -7.327 1.00 11.25 C ATOM 0 H ALA A 109 -13.203 -2.783 -5.803 1.00 13.42 H new ATOM 0 HA ALA A 109 -16.050 -2.738 -6.586 1.00 22.32 H new ATOM 0 HB1 ALA A 109 -15.326 -1.027 -8.191 1.00 11.25 H new ATOM 0 HB2 ALA A 109 -14.928 -0.570 -6.518 1.00 11.25 H new ATOM 0 HB3 ALA A 109 -13.654 -1.181 -7.600 1.00 11.25 H new ATOM 1672 N ASP A 110 -15.737 -3.876 -8.843 1.00 4.45 N ATOM 1673 CA ASP A 110 -15.611 -4.812 -9.953 1.00 24.13 C ATOM 1674 C ASP A 110 -14.862 -4.155 -11.109 1.00 4.44 C ATOM 1675 O ASP A 110 -14.587 -2.953 -11.069 1.00 13.12 O ATOM 1676 CB ASP A 110 -16.992 -5.296 -10.405 1.00 23.52 C ATOM 1677 CG ASP A 110 -17.766 -4.255 -11.187 1.00 40.51 C ATOM 1678 OD1 ASP A 110 -18.121 -3.203 -10.612 1.00 4.01 O ATOM 1679 OD2 ASP A 110 -18.048 -4.499 -12.377 1.00 4.45 O ATOM 0 H ASP A 110 -16.640 -3.405 -8.787 1.00 4.45 H new ATOM 0 HA ASP A 110 -15.041 -5.679 -9.620 1.00 24.13 H new ATOM 0 HB2 ASP A 110 -16.873 -6.188 -11.020 1.00 23.52 H new ATOM 0 HB3 ASP A 110 -17.572 -5.588 -9.529 1.00 23.52 H new ATOM 1684 N SER A 111 -14.536 -4.929 -12.135 1.00 53.40 N ATOM 1685 CA SER A 111 -13.730 -4.412 -13.230 1.00 71.23 C ATOM 1686 C SER A 111 -14.029 -5.147 -14.535 1.00 75.21 C ATOM 1687 O SER A 111 -14.473 -4.531 -15.506 1.00 24.42 O ATOM 1688 CB SER A 111 -12.241 -4.526 -12.881 1.00 72.21 C ATOM 1689 OG SER A 111 -11.429 -3.841 -13.821 1.00 13.14 O ATOM 0 H SER A 111 -14.814 -5.906 -12.231 1.00 53.40 H new ATOM 0 HA SER A 111 -13.985 -3.362 -13.375 1.00 71.23 H new ATOM 0 HB2 SER A 111 -12.068 -4.118 -11.885 1.00 72.21 H new ATOM 0 HB3 SER A 111 -11.954 -5.577 -12.849 1.00 72.21 H new ATOM 0 HG SER A 111 -10.487 -3.933 -13.568 1.00 13.14 H new ATOM 1695 N ASP A 112 -13.798 -6.468 -14.540 1.00 12.41 N ATOM 1696 CA ASP A 112 -13.919 -7.289 -15.751 1.00 2.43 C ATOM 1697 C ASP A 112 -12.861 -6.886 -16.777 1.00 23.03 C ATOM 1698 O ASP A 112 -12.997 -5.883 -17.472 1.00 12.54 O ATOM 1699 CB ASP A 112 -15.332 -7.193 -16.351 1.00 31.40 C ATOM 1700 CG ASP A 112 -15.451 -7.862 -17.708 1.00 14.20 C ATOM 1701 OD1 ASP A 112 -15.281 -9.098 -17.792 1.00 74.43 O ATOM 1702 OD2 ASP A 112 -15.719 -7.151 -18.701 1.00 51.21 O ATOM 0 H ASP A 112 -13.524 -6.993 -13.710 1.00 12.41 H new ATOM 0 HA ASP A 112 -13.750 -8.329 -15.473 1.00 2.43 H new ATOM 0 HB2 ASP A 112 -16.044 -7.651 -15.664 1.00 31.40 H new ATOM 0 HB3 ASP A 112 -15.609 -6.143 -16.445 1.00 31.40 H new ATOM 1707 N VAL A 113 -11.793 -7.668 -16.851 1.00 25.03 N ATOM 1708 CA VAL A 113 -10.670 -7.358 -17.724 1.00 14.50 C ATOM 1709 C VAL A 113 -9.886 -8.630 -18.051 1.00 61.44 C ATOM 1710 O VAL A 113 -9.853 -9.569 -17.252 1.00 53.43 O ATOM 1711 CB VAL A 113 -9.736 -6.309 -17.068 1.00 63.03 C ATOM 1712 CG1 VAL A 113 -9.083 -6.867 -15.810 1.00 12.31 C ATOM 1713 CG2 VAL A 113 -8.684 -5.815 -18.053 1.00 43.33 C ATOM 0 H VAL A 113 -11.681 -8.527 -16.313 1.00 25.03 H new ATOM 0 HA VAL A 113 -11.063 -6.937 -18.649 1.00 14.50 H new ATOM 0 HB VAL A 113 -10.349 -5.456 -16.778 1.00 63.03 H new ATOM 0 HG11 VAL A 113 -8.433 -6.110 -15.371 1.00 12.31 H new ATOM 0 HG12 VAL A 113 -9.855 -7.144 -15.092 1.00 12.31 H new ATOM 0 HG13 VAL A 113 -8.493 -7.747 -16.066 1.00 12.31 H new ATOM 0 HG21 VAL A 113 -8.044 -5.080 -17.564 1.00 43.33 H new ATOM 0 HG22 VAL A 113 -8.079 -6.656 -18.391 1.00 43.33 H new ATOM 0 HG23 VAL A 113 -9.176 -5.355 -18.910 1.00 43.33 H new ATOM 1723 N ALA A 114 -9.288 -8.669 -19.234 1.00 11.32 N ATOM 1724 CA ALA A 114 -8.483 -9.808 -19.646 1.00 21.31 C ATOM 1725 C ALA A 114 -7.202 -9.882 -18.825 1.00 12.43 C ATOM 1726 O ALA A 114 -6.451 -8.910 -18.738 1.00 1.14 O ATOM 1727 CB ALA A 114 -8.164 -9.724 -21.129 1.00 41.13 C ATOM 0 H ALA A 114 -9.346 -7.922 -19.926 1.00 11.32 H new ATOM 0 HA ALA A 114 -9.056 -10.718 -19.469 1.00 21.31 H new ATOM 0 HB1 ALA A 114 -7.561 -10.584 -21.421 1.00 41.13 H new ATOM 0 HB2 ALA A 114 -9.092 -9.720 -21.701 1.00 41.13 H new ATOM 0 HB3 ALA A 114 -7.610 -8.807 -21.331 1.00 41.13 H new ATOM 1733 N VAL A 115 -6.958 -11.038 -18.226 1.00 55.03 N ATOM 1734 CA VAL A 115 -5.794 -11.220 -17.371 1.00 3.31 C ATOM 1735 C VAL A 115 -4.502 -11.231 -18.181 1.00 34.13 C ATOM 1736 O VAL A 115 -4.500 -11.541 -19.374 1.00 13.10 O ATOM 1737 CB VAL A 115 -5.886 -12.518 -16.543 1.00 51.53 C ATOM 1738 CG1 VAL A 115 -7.009 -12.424 -15.521 1.00 75.53 C ATOM 1739 CG2 VAL A 115 -6.088 -13.726 -17.449 1.00 13.55 C ATOM 0 H VAL A 115 -7.550 -11.864 -18.316 1.00 55.03 H new ATOM 0 HA VAL A 115 -5.780 -10.370 -16.688 1.00 3.31 H new ATOM 0 HB VAL A 115 -4.944 -12.646 -16.009 1.00 51.53 H new ATOM 0 HG11 VAL A 115 -7.057 -13.350 -14.947 1.00 75.53 H new ATOM 0 HG12 VAL A 115 -6.819 -11.589 -14.847 1.00 75.53 H new ATOM 0 HG13 VAL A 115 -7.957 -12.266 -16.035 1.00 75.53 H new ATOM 0 HG21 VAL A 115 -6.150 -14.629 -16.842 1.00 13.55 H new ATOM 0 HG22 VAL A 115 -7.011 -13.605 -18.016 1.00 13.55 H new ATOM 0 HG23 VAL A 115 -5.248 -13.809 -18.138 1.00 13.55 H new ATOM 1749 N ASP A 116 -3.409 -10.882 -17.519 1.00 13.52 N ATOM 1750 CA ASP A 116 -2.099 -10.845 -18.154 1.00 41.23 C ATOM 1751 C ASP A 116 -1.542 -12.258 -18.280 1.00 74.24 C ATOM 1752 O ASP A 116 -1.461 -12.989 -17.289 1.00 40.34 O ATOM 1753 CB ASP A 116 -1.143 -9.965 -17.341 1.00 72.43 C ATOM 1754 CG ASP A 116 0.234 -9.860 -17.964 1.00 24.12 C ATOM 1755 OD1 ASP A 116 0.379 -9.154 -18.985 1.00 25.41 O ATOM 1756 OD2 ASP A 116 1.181 -10.472 -17.428 1.00 64.32 O ATOM 0 H ASP A 116 -3.404 -10.618 -16.534 1.00 13.52 H new ATOM 0 HA ASP A 116 -2.200 -10.418 -19.152 1.00 41.23 H new ATOM 0 HB2 ASP A 116 -1.570 -8.967 -17.244 1.00 72.43 H new ATOM 0 HB3 ASP A 116 -1.051 -10.371 -16.334 1.00 72.43 H new ATOM 1761 N ASN A 117 -1.182 -12.639 -19.500 1.00 24.34 N ATOM 1762 CA ASN A 117 -0.664 -13.980 -19.768 1.00 12.55 C ATOM 1763 C ASN A 117 0.618 -14.255 -18.989 1.00 71.41 C ATOM 1764 O ASN A 117 1.563 -13.467 -19.013 1.00 1.13 O ATOM 1765 CB ASN A 117 -0.454 -14.213 -21.281 1.00 70.42 C ATOM 1766 CG ASN A 117 0.255 -13.077 -22.022 1.00 15.54 C ATOM 1767 OD1 ASN A 117 -0.028 -12.829 -23.194 1.00 31.35 O ATOM 1768 ND2 ASN A 117 1.180 -12.390 -21.369 1.00 11.12 N ATOM 0 H ASN A 117 -1.239 -12.038 -20.323 1.00 24.34 H new ATOM 0 HA ASN A 117 -1.417 -14.689 -19.423 1.00 12.55 H new ATOM 0 HB2 ASN A 117 0.122 -15.128 -21.415 1.00 70.42 H new ATOM 0 HB3 ASN A 117 -1.426 -14.378 -21.746 1.00 70.42 H new ATOM 0 HD21 ASN A 117 1.679 -11.633 -21.837 1.00 11.12 H new ATOM 0 HD22 ASN A 117 1.394 -12.618 -20.398 1.00 11.12 H new ATOM 1775 N SER A 118 0.636 -15.368 -18.274 1.00 51.11 N ATOM 1776 CA SER A 118 1.792 -15.734 -17.475 1.00 73.41 C ATOM 1777 C SER A 118 2.392 -17.055 -17.956 1.00 42.21 C ATOM 1778 O SER A 118 3.402 -17.516 -17.422 1.00 63.43 O ATOM 1779 CB SER A 118 1.402 -15.830 -15.993 1.00 51.11 C ATOM 1780 OG SER A 118 2.547 -15.955 -15.163 1.00 53.04 O ATOM 0 H SER A 118 -0.137 -16.033 -18.231 1.00 51.11 H new ATOM 0 HA SER A 118 2.548 -14.958 -17.590 1.00 73.41 H new ATOM 0 HB2 SER A 118 0.838 -14.943 -15.706 1.00 51.11 H new ATOM 0 HB3 SER A 118 0.746 -16.688 -15.843 1.00 51.11 H new ATOM 0 HG SER A 118 3.237 -16.468 -15.633 1.00 53.04 H new ATOM 1786 N GLN A 119 1.770 -17.664 -18.961 1.00 51.22 N ATOM 1787 CA GLN A 119 2.267 -18.925 -19.503 1.00 51.34 C ATOM 1788 C GLN A 119 2.716 -18.759 -20.951 1.00 0.31 C ATOM 1789 O GLN A 119 1.895 -18.790 -21.868 1.00 21.32 O ATOM 1790 CB GLN A 119 1.213 -20.040 -19.429 1.00 14.00 C ATOM 1791 CG GLN A 119 0.837 -20.465 -18.016 1.00 31.22 C ATOM 1792 CD GLN A 119 -0.152 -19.524 -17.360 1.00 31.02 C ATOM 1793 OE1 GLN A 119 -0.977 -18.906 -18.033 1.00 5.43 O ATOM 1794 NE2 GLN A 119 -0.081 -19.409 -16.047 1.00 54.01 N ATOM 0 H GLN A 119 0.928 -17.309 -19.414 1.00 51.22 H new ATOM 0 HA GLN A 119 3.119 -19.212 -18.886 1.00 51.34 H new ATOM 0 HB2 GLN A 119 0.313 -19.706 -19.945 1.00 14.00 H new ATOM 0 HB3 GLN A 119 1.586 -20.910 -19.969 1.00 14.00 H new ATOM 0 HG2 GLN A 119 0.412 -21.468 -18.045 1.00 31.22 H new ATOM 0 HG3 GLN A 119 1.739 -20.519 -17.406 1.00 31.22 H new ATOM 0 HE21 GLN A 119 0.618 -19.939 -15.526 1.00 54.01 H new ATOM 0 HE22 GLN A 119 -0.725 -18.790 -15.554 1.00 54.01 H new ATOM 1803 N PRO A 120 4.019 -18.545 -21.175 1.00 64.14 N ATOM 1804 CA PRO A 120 4.595 -18.543 -22.513 1.00 43.22 C ATOM 1805 C PRO A 120 4.774 -19.969 -23.020 1.00 53.01 C ATOM 1806 O PRO A 120 5.401 -20.798 -22.356 1.00 23.32 O ATOM 1807 CB PRO A 120 5.958 -17.854 -22.334 1.00 13.24 C ATOM 1808 CG PRO A 120 6.007 -17.405 -20.905 1.00 53.42 C ATOM 1809 CD PRO A 120 5.036 -18.271 -20.158 1.00 22.52 C ATOM 0 HA PRO A 120 3.963 -18.035 -23.242 1.00 43.22 H new ATOM 0 HB2 PRO A 120 6.775 -18.541 -22.556 1.00 13.24 H new ATOM 0 HB3 PRO A 120 6.060 -17.007 -23.013 1.00 13.24 H new ATOM 0 HG2 PRO A 120 7.013 -17.509 -20.499 1.00 53.42 H new ATOM 0 HG3 PRO A 120 5.736 -16.353 -20.819 1.00 53.42 H new ATOM 0 HD2 PRO A 120 5.503 -19.186 -19.793 1.00 22.52 H new ATOM 0 HD3 PRO A 120 4.617 -17.759 -19.291 1.00 22.52 H new ATOM 1817 N LEU A 121 4.216 -20.257 -24.184 1.00 3.42 N ATOM 1818 CA LEU A 121 4.237 -21.609 -24.720 1.00 42.24 C ATOM 1819 C LEU A 121 5.379 -21.783 -25.714 1.00 72.50 C ATOM 1820 O LEU A 121 5.311 -21.299 -26.843 1.00 2.50 O ATOM 1821 CB LEU A 121 2.897 -21.939 -25.386 1.00 75.55 C ATOM 1822 CG LEU A 121 1.683 -21.945 -24.448 1.00 53.13 C ATOM 1823 CD1 LEU A 121 0.411 -22.256 -25.224 1.00 51.52 C ATOM 1824 CD2 LEU A 121 1.879 -22.948 -23.320 1.00 54.23 C ATOM 0 H LEU A 121 3.743 -19.574 -24.776 1.00 3.42 H new ATOM 0 HA LEU A 121 4.398 -22.300 -23.893 1.00 42.24 H new ATOM 0 HB2 LEU A 121 2.717 -21.216 -26.181 1.00 75.55 H new ATOM 0 HB3 LEU A 121 2.976 -22.918 -25.858 1.00 75.55 H new ATOM 0 HG LEU A 121 1.585 -20.952 -24.009 1.00 53.13 H new ATOM 0 HD11 LEU A 121 -0.440 -22.256 -24.543 1.00 51.52 H new ATOM 0 HD12 LEU A 121 0.260 -21.499 -25.993 1.00 51.52 H new ATOM 0 HD13 LEU A 121 0.501 -23.236 -25.692 1.00 51.52 H new ATOM 0 HD21 LEU A 121 1.007 -22.936 -22.667 1.00 54.23 H new ATOM 0 HD22 LEU A 121 2.005 -23.946 -23.739 1.00 54.23 H new ATOM 0 HD23 LEU A 121 2.766 -22.681 -22.746 1.00 54.23 H new ATOM 1836 N PRO A 122 6.446 -22.484 -25.306 1.00 21.43 N ATOM 1837 CA PRO A 122 7.617 -22.707 -26.140 1.00 45.53 C ATOM 1838 C PRO A 122 7.512 -23.995 -26.946 1.00 34.41 C ATOM 1839 O PRO A 122 8.515 -24.549 -27.399 1.00 10.12 O ATOM 1840 CB PRO A 122 8.735 -22.797 -25.106 1.00 31.04 C ATOM 1841 CG PRO A 122 8.091 -23.407 -23.900 1.00 24.03 C ATOM 1842 CD PRO A 122 6.608 -23.112 -23.985 1.00 22.52 C ATOM 0 HA PRO A 122 7.763 -21.928 -26.888 1.00 45.53 H new ATOM 0 HB2 PRO A 122 9.560 -23.411 -25.467 1.00 31.04 H new ATOM 0 HB3 PRO A 122 9.145 -21.813 -24.880 1.00 31.04 H new ATOM 0 HG2 PRO A 122 8.268 -24.482 -23.872 1.00 24.03 H new ATOM 0 HG3 PRO A 122 8.514 -22.990 -22.986 1.00 24.03 H new ATOM 0 HD2 PRO A 122 6.014 -24.022 -23.900 1.00 22.52 H new ATOM 0 HD3 PRO A 122 6.287 -22.446 -23.184 1.00 22.52 H new ATOM 1850 N LEU A 123 6.285 -24.463 -27.107 1.00 20.15 N ATOM 1851 CA LEU A 123 6.013 -25.643 -27.906 1.00 60.14 C ATOM 1852 C LEU A 123 6.065 -25.278 -29.382 1.00 74.34 C ATOM 1853 O LEU A 123 5.697 -24.165 -29.765 1.00 54.04 O ATOM 1854 CB LEU A 123 4.656 -26.255 -27.516 1.00 63.14 C ATOM 1855 CG LEU A 123 3.487 -25.269 -27.369 1.00 74.02 C ATOM 1856 CD1 LEU A 123 2.867 -24.938 -28.719 1.00 22.02 C ATOM 1857 CD2 LEU A 123 2.437 -25.833 -26.428 1.00 52.23 C ATOM 0 H LEU A 123 5.456 -24.038 -26.690 1.00 20.15 H new ATOM 0 HA LEU A 123 6.774 -26.399 -27.715 1.00 60.14 H new ATOM 0 HB2 LEU A 123 4.386 -26.998 -28.267 1.00 63.14 H new ATOM 0 HB3 LEU A 123 4.778 -26.786 -26.572 1.00 63.14 H new ATOM 0 HG LEU A 123 3.880 -24.344 -26.947 1.00 74.02 H new ATOM 0 HD11 LEU A 123 2.043 -24.238 -28.579 1.00 22.02 H new ATOM 0 HD12 LEU A 123 3.621 -24.487 -29.365 1.00 22.02 H new ATOM 0 HD13 LEU A 123 2.493 -25.851 -29.181 1.00 22.02 H new ATOM 0 HD21 LEU A 123 1.615 -25.124 -26.333 1.00 52.23 H new ATOM 0 HD22 LEU A 123 2.060 -26.775 -26.826 1.00 52.23 H new ATOM 0 HD23 LEU A 123 2.882 -26.006 -25.448 1.00 52.23 H new ATOM 1869 N GLU A 124 6.527 -26.197 -30.209 1.00 5.44 N ATOM 1870 CA GLU A 124 6.766 -25.884 -31.606 1.00 71.31 C ATOM 1871 C GLU A 124 6.221 -26.952 -32.541 1.00 22.51 C ATOM 1872 O GLU A 124 5.803 -28.028 -32.113 1.00 75.55 O ATOM 1873 CB GLU A 124 8.269 -25.665 -31.857 1.00 3.30 C ATOM 1874 CG GLU A 124 9.190 -26.689 -31.194 1.00 75.44 C ATOM 1875 CD GLU A 124 9.030 -28.093 -31.749 1.00 44.34 C ATOM 1876 OE1 GLU A 124 9.519 -28.356 -32.871 1.00 72.42 O ATOM 1877 OE2 GLU A 124 8.423 -28.942 -31.061 1.00 15.13 O ATOM 0 H GLU A 124 6.743 -27.157 -29.942 1.00 5.44 H new ATOM 0 HA GLU A 124 6.227 -24.962 -31.825 1.00 71.31 H new ATOM 0 HB2 GLU A 124 8.448 -25.679 -32.932 1.00 3.30 H new ATOM 0 HB3 GLU A 124 8.540 -24.671 -31.502 1.00 3.30 H new ATOM 0 HG2 GLU A 124 10.225 -26.372 -31.321 1.00 75.44 H new ATOM 0 HG3 GLU A 124 8.991 -26.705 -30.122 1.00 75.44 H new ATOM 1884 N HIS A 125 6.195 -26.608 -33.816 1.00 45.54 N ATOM 1885 CA HIS A 125 5.874 -27.539 -34.882 1.00 32.31 C ATOM 1886 C HIS A 125 6.421 -27.005 -36.191 1.00 61.45 C ATOM 1887 O HIS A 125 5.679 -26.464 -37.015 1.00 13.12 O ATOM 1888 CB HIS A 125 4.367 -27.790 -35.001 1.00 64.20 C ATOM 1889 CG HIS A 125 3.926 -29.063 -34.348 1.00 62.02 C ATOM 1890 ND1 HIS A 125 2.931 -29.122 -33.401 1.00 43.32 N ATOM 1891 CD2 HIS A 125 4.354 -30.338 -34.519 1.00 10.14 C ATOM 1892 CE1 HIS A 125 2.767 -30.373 -33.016 1.00 64.41 C ATOM 1893 NE2 HIS A 125 3.618 -31.132 -33.678 1.00 34.45 N ATOM 0 H HIS A 125 6.398 -25.664 -34.144 1.00 45.54 H new ATOM 0 HA HIS A 125 6.337 -28.497 -34.644 1.00 32.31 H new ATOM 0 HB2 HIS A 125 3.830 -26.954 -34.552 1.00 64.20 H new ATOM 0 HB3 HIS A 125 4.092 -27.816 -36.055 1.00 64.20 H new ATOM 0 HD2 HIS A 125 5.131 -30.667 -35.193 1.00 10.14 H new ATOM 0 HE1 HIS A 125 2.055 -30.718 -32.281 1.00 64.41 H new ATOM 0 HE2 HIS A 125 3.713 -32.143 -33.580 1.00 34.45 H new ATOM 1902 N HIS A 126 7.731 -27.107 -36.355 1.00 45.20 N ATOM 1903 CA HIS A 126 8.379 -26.624 -37.564 1.00 72.53 C ATOM 1904 C HIS A 126 8.150 -27.608 -38.706 1.00 53.05 C ATOM 1905 O HIS A 126 8.627 -28.745 -38.678 1.00 72.14 O ATOM 1906 CB HIS A 126 9.882 -26.363 -37.336 1.00 3.44 C ATOM 1907 CG HIS A 126 10.697 -27.578 -36.996 1.00 10.35 C ATOM 1908 ND1 HIS A 126 11.501 -28.222 -37.912 1.00 44.25 N ATOM 1909 CD2 HIS A 126 10.844 -28.254 -35.832 1.00 4.11 C ATOM 1910 CE1 HIS A 126 12.103 -29.239 -37.327 1.00 13.25 C ATOM 1911 NE2 HIS A 126 11.723 -29.280 -36.066 1.00 3.15 N ATOM 0 H HIS A 126 8.364 -27.518 -35.669 1.00 45.20 H new ATOM 0 HA HIS A 126 7.931 -25.668 -37.836 1.00 72.53 H new ATOM 0 HB2 HIS A 126 10.296 -25.907 -38.236 1.00 3.44 H new ATOM 0 HB3 HIS A 126 9.990 -25.636 -36.531 1.00 3.44 H new ATOM 0 HD2 HIS A 126 10.359 -28.027 -34.894 1.00 4.11 H new ATOM 0 HE1 HIS A 126 12.791 -29.923 -37.801 1.00 13.25 H new ATOM 0 HE2 HIS A 126 12.033 -29.964 -35.376 1.00 3.15 H new ATOM 1920 N HIS A 127 7.389 -27.172 -39.694 1.00 74.33 N ATOM 1921 CA HIS A 127 6.999 -28.035 -40.794 1.00 64.01 C ATOM 1922 C HIS A 127 7.815 -27.695 -42.035 1.00 22.35 C ATOM 1923 O HIS A 127 8.032 -26.523 -42.334 1.00 31.51 O ATOM 1924 CB HIS A 127 5.502 -27.871 -41.079 1.00 1.24 C ATOM 1925 CG HIS A 127 4.932 -28.929 -41.972 1.00 4.04 C ATOM 1926 ND1 HIS A 127 4.687 -28.734 -43.310 1.00 21.02 N ATOM 1927 CD2 HIS A 127 4.529 -30.190 -41.699 1.00 23.13 C ATOM 1928 CE1 HIS A 127 4.159 -29.827 -43.822 1.00 0.25 C ATOM 1929 NE2 HIS A 127 4.050 -30.732 -42.866 1.00 62.42 N ATOM 0 H HIS A 127 7.027 -26.220 -39.757 1.00 74.33 H new ATOM 0 HA HIS A 127 7.193 -29.073 -40.522 1.00 64.01 H new ATOM 0 HB2 HIS A 127 4.960 -27.878 -40.133 1.00 1.24 H new ATOM 0 HB3 HIS A 127 5.334 -26.896 -41.536 1.00 1.24 H new ATOM 0 HD2 HIS A 127 4.575 -30.681 -40.738 1.00 23.13 H new ATOM 0 HE1 HIS A 127 3.864 -29.961 -44.852 1.00 0.25 H new ATOM 0 HE2 HIS A 127 3.674 -31.674 -42.976 1.00 62.42 H new ATOM 1938 N HIS A 128 8.277 -28.718 -42.739 1.00 21.32 N ATOM 1939 CA HIS A 128 9.044 -28.512 -43.959 1.00 31.41 C ATOM 1940 C HIS A 128 8.130 -28.033 -45.070 1.00 74.04 C ATOM 1941 O HIS A 128 7.068 -28.612 -45.304 1.00 44.44 O ATOM 1942 CB HIS A 128 9.759 -29.796 -44.387 1.00 55.20 C ATOM 1943 CG HIS A 128 10.743 -30.298 -43.384 1.00 32.44 C ATOM 1944 ND1 HIS A 128 10.814 -31.615 -43.006 1.00 53.24 N ATOM 1945 CD2 HIS A 128 11.708 -29.657 -42.686 1.00 63.31 C ATOM 1946 CE1 HIS A 128 11.775 -31.767 -42.120 1.00 14.13 C ATOM 1947 NE2 HIS A 128 12.337 -30.592 -41.906 1.00 30.21 N ATOM 0 H HIS A 128 8.135 -29.696 -42.488 1.00 21.32 H new ATOM 0 HA HIS A 128 9.801 -27.753 -43.760 1.00 31.41 H new ATOM 0 HB2 HIS A 128 9.015 -30.571 -44.572 1.00 55.20 H new ATOM 0 HB3 HIS A 128 10.275 -29.617 -45.330 1.00 55.20 H new ATOM 0 HD2 HIS A 128 11.940 -28.603 -42.734 1.00 63.31 H new ATOM 0 HE1 HIS A 128 12.056 -32.697 -41.648 1.00 14.13 H new ATOM 0 HE2 HIS A 128 13.111 -30.410 -41.267 1.00 30.21 H new ATOM 1956 N HIS A 129 8.541 -26.973 -45.740 1.00 54.23 N ATOM 1957 CA HIS A 129 7.749 -26.391 -46.811 1.00 44.03 C ATOM 1958 C HIS A 129 8.157 -27.024 -48.133 1.00 22.11 C ATOM 1959 O HIS A 129 7.312 -27.463 -48.909 1.00 12.41 O ATOM 1960 CB HIS A 129 7.939 -24.868 -46.854 1.00 71.40 C ATOM 1961 CG HIS A 129 7.619 -24.188 -45.556 1.00 20.40 C ATOM 1962 ND1 HIS A 129 6.408 -23.586 -45.294 1.00 34.31 N ATOM 1963 CD2 HIS A 129 8.363 -24.026 -44.437 1.00 53.12 C ATOM 1964 CE1 HIS A 129 6.422 -23.087 -44.074 1.00 61.34 C ATOM 1965 NE2 HIS A 129 7.596 -23.343 -43.530 1.00 54.54 N ATOM 0 H HIS A 129 9.424 -26.494 -45.561 1.00 54.23 H new ATOM 0 HA HIS A 129 6.692 -26.589 -46.630 1.00 44.03 H new ATOM 0 HB2 HIS A 129 8.971 -24.646 -47.126 1.00 71.40 H new ATOM 0 HB3 HIS A 129 7.306 -24.453 -47.638 1.00 71.40 H new ATOM 0 HD2 HIS A 129 9.375 -24.372 -44.287 1.00 53.12 H new ATOM 0 HE1 HIS A 129 5.609 -22.558 -43.600 1.00 61.34 H new ATOM 0 HE2 HIS A 129 7.885 -23.076 -42.589 1.00 54.54 H new ATOM 1974 N HIS A 130 9.467 -27.074 -48.359 1.00 52.11 N ATOM 1975 CA HIS A 130 10.057 -27.753 -49.510 1.00 31.11 C ATOM 1976 C HIS A 130 11.566 -27.581 -49.456 1.00 4.43 C ATOM 1977 O HIS A 130 12.253 -27.963 -50.418 1.00 37.53 O ATOM 1978 CB HIS A 130 9.506 -27.232 -50.853 1.00 41.33 C ATOM 1979 CG HIS A 130 9.765 -25.777 -51.122 1.00 52.12 C ATOM 1980 ND1 HIS A 130 8.816 -24.803 -50.921 1.00 4.53 N ATOM 1981 CD2 HIS A 130 10.861 -25.136 -51.599 1.00 30.53 C ATOM 1982 CE1 HIS A 130 9.311 -23.630 -51.259 1.00 13.11 C ATOM 1983 NE2 HIS A 130 10.551 -23.800 -51.675 1.00 30.40 N ATOM 1984 OXT HIS A 130 12.057 -27.053 -48.435 1.00 37.53 O ATOM 0 H HIS A 130 10.155 -26.641 -47.743 1.00 52.11 H new ATOM 0 HA HIS A 130 9.790 -28.808 -49.455 1.00 31.11 H new ATOM 0 HB2 HIS A 130 9.943 -27.819 -51.661 1.00 41.33 H new ATOM 0 HB3 HIS A 130 8.430 -27.405 -50.879 1.00 41.33 H new ATOM 0 HD2 HIS A 130 11.802 -25.591 -51.869 1.00 30.53 H new ATOM 0 HE1 HIS A 130 8.789 -22.686 -51.205 1.00 13.11 H new ATOM 0 HE2 HIS A 130 11.176 -23.062 -51.999 1.00 30.40 H new TER 1993 HIS A 130