USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 0 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 70 ASN : amide:sc= 0.832 K(o=0.94,f=-10!) USER MOD Set 1.2: A 72 THR OG1 : rot -60:sc= 0.106! USER MOD Set 2.1: A 54 ASN : amide:sc= -8.02! C(o=-13!,f=-20!) USER MOD Set 2.2: A 56 GLN : amide:sc= -5.16! C(o=-13!,f=-20!) USER MOD Set 3.1: A 33 LYS NZ :NH3+ -124:sc= 3.12 (180deg=-1.02) USER MOD Set 3.2: A 64 THR OG1 : rot 107:sc= -0.276 USER MOD Set 4.1: A 27 TYR OH : rot -115:sc= 0.0438 USER MOD Set 4.2: A 66 LYS NZ :NH3+ 164:sc= 0.0119 (180deg=0.139) USER MOD Set 5.1: A 15 SER OG : rot -156:sc= 1.33 USER MOD Set 5.2: A 49 HIS : no HE2:sc= -0.199 K(o=1.1,f=-5.2!) USER MOD Set 6.1: A 7 SER OG : rot 64:sc= 2.2 USER MOD Set 6.2: A 13 THR OG1 : rot 66:sc= 1.22 USER MOD Set 7.1: A 1 GLY N :NH3+ 164:sc= 2.27 (180deg=1.91) USER MOD Set 7.2: A 46 ASN : amide:sc= -0.591 K(o=1.7,f=-1!) USER MOD Single : A 10 SER OG : rot 105:sc= 0.467 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00328 USER MOD Single : A 17 THR OG1 : rot -18:sc= 1.83 USER MOD Single : A 23 SER OG : rot 130:sc= -0.207 USER MOD Single : A 26 SER OG : rot -160:sc= 0.018 USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 1.5 (180deg=0.243!) USER MOD Single : A 40 TYR OH : rot 30:sc= -0.0423 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.463 K(o=0.46,f=-0.47) USER MOD Single : A 55 LYS NZ :NH3+ 142:sc= -0.47! (180deg=-3.31!) USER MOD Single : A 61 ASN : amide:sc=-0.00277 K(o=-0.0028,f=-0.84) USER MOD Single : A 68 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.932 -0.385 -0.786 1.00 0.00 N ATOM 2 CA GLY A 1 1.685 -1.026 -1.209 1.00 0.00 C ATOM 3 C GLY A 1 1.721 -1.489 -2.660 1.00 0.00 C ATOM 4 O GLY A 1 0.823 -1.179 -3.433 1.00 0.00 O ATOM 0 H1 GLY A 1 2.769 0.144 0.095 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.658 -1.112 -0.624 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.255 0.269 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.485 -1.882 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.859 -0.327 -1.076 1.00 0.00 H new ATOM 5 N CYS A 2 2.757 -2.187 -3.041 1.00 0.00 N ATOM 6 CA CYS A 2 2.865 -2.748 -4.372 1.00 0.00 C ATOM 7 C CYS A 2 2.948 -4.278 -4.303 1.00 0.00 C ATOM 8 O CYS A 2 3.995 -4.874 -4.328 1.00 0.00 O ATOM 9 CB CYS A 2 4.000 -2.091 -5.153 1.00 0.00 C ATOM 10 SG CYS A 2 3.604 -0.372 -5.663 1.00 0.00 S ATOM 0 H CYS A 2 3.556 -2.386 -2.439 1.00 0.00 H new ATOM 0 HA CYS A 2 1.961 -2.523 -4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 2 4.902 -2.086 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.219 -2.687 -6.039 1.00 0.00 H new ATOM 11 N PHE A 3 1.790 -4.863 -4.284 1.00 0.00 N ATOM 12 CA PHE A 3 1.553 -6.250 -3.882 1.00 0.00 C ATOM 13 C PHE A 3 1.941 -7.442 -4.814 1.00 0.00 C ATOM 14 O PHE A 3 2.289 -8.476 -4.299 1.00 0.00 O ATOM 15 CB PHE A 3 0.108 -6.385 -3.417 1.00 0.00 C ATOM 16 CG PHE A 3 -0.880 -5.833 -4.410 1.00 0.00 C ATOM 17 CD1 PHE A 3 -1.383 -6.621 -5.419 1.00 0.00 C ATOM 18 CD2 PHE A 3 -1.295 -4.515 -4.329 1.00 0.00 C ATOM 19 CE1 PHE A 3 -2.278 -6.114 -6.324 1.00 0.00 C ATOM 20 CE2 PHE A 3 -2.188 -4.003 -5.231 1.00 0.00 C ATOM 21 CZ PHE A 3 -2.683 -4.802 -6.231 1.00 0.00 C ATOM 0 H PHE A 3 0.934 -4.380 -4.557 1.00 0.00 H new ATOM 0 HA PHE A 3 2.298 -6.383 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -0.114 -7.437 -3.237 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -0.012 -5.867 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.069 -7.651 -5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.909 -3.882 -3.544 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.666 -6.744 -7.111 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.502 -2.973 -5.156 1.00 0.00 H new ATOM 0 HZ PHE A 3 -3.389 -4.402 -6.944 1.00 0.00 H new ATOM 22 N GLU A 4 1.886 -7.312 -6.124 1.00 0.00 N ATOM 23 CA GLU A 4 2.008 -8.496 -7.040 1.00 0.00 C ATOM 24 C GLU A 4 3.245 -9.437 -6.806 1.00 0.00 C ATOM 25 O GLU A 4 3.078 -10.647 -6.704 1.00 0.00 O ATOM 26 CB GLU A 4 1.846 -8.085 -8.516 1.00 0.00 C ATOM 27 CG GLU A 4 0.493 -7.421 -8.800 1.00 0.00 C ATOM 28 CD GLU A 4 0.334 -6.918 -10.223 1.00 0.00 C ATOM 29 OE1 GLU A 4 1.238 -6.242 -10.723 1.00 0.00 O ATOM 30 OE2 GLU A 4 -0.741 -7.150 -10.836 1.00 0.00 O ATOM 0 H GLU A 4 1.760 -6.420 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 4 1.169 -9.134 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.647 -7.398 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.954 -8.966 -9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.302 -8.136 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.360 -6.585 -8.114 1.00 0.00 H new ATOM 31 N ASP A 5 4.450 -8.889 -6.687 1.00 0.00 N ATOM 32 CA ASP A 5 5.671 -9.720 -6.479 1.00 0.00 C ATOM 33 C ASP A 5 5.808 -10.011 -5.024 1.00 0.00 C ATOM 34 O ASP A 5 6.263 -11.088 -4.628 1.00 0.00 O ATOM 35 CB ASP A 5 6.929 -9.065 -7.069 1.00 0.00 C ATOM 36 CG ASP A 5 8.181 -9.929 -7.016 1.00 0.00 C ATOM 37 OD1 ASP A 5 8.147 -11.088 -7.521 1.00 0.00 O ATOM 38 OD2 ASP A 5 9.230 -9.437 -6.556 1.00 0.00 O ATOM 0 H ASP A 5 4.626 -7.885 -6.728 1.00 0.00 H new ATOM 0 HA ASP A 5 5.561 -10.660 -7.019 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.731 -8.800 -8.108 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.123 -8.135 -6.534 1.00 0.00 H new ATOM 39 N TRP A 6 5.332 -9.060 -4.204 1.00 0.00 N ATOM 40 CA TRP A 6 5.206 -9.276 -2.770 1.00 0.00 C ATOM 41 C TRP A 6 4.325 -10.549 -2.497 1.00 0.00 C ATOM 42 O TRP A 6 4.506 -11.262 -1.512 1.00 0.00 O ATOM 43 CB TRP A 6 4.616 -7.987 -2.136 1.00 0.00 C ATOM 44 CG TRP A 6 4.023 -8.123 -0.752 1.00 0.00 C ATOM 45 CD1 TRP A 6 4.653 -7.902 0.432 1.00 0.00 C ATOM 46 CD2 TRP A 6 2.669 -8.496 -0.414 1.00 0.00 C ATOM 47 NE1 TRP A 6 3.794 -8.125 1.478 1.00 0.00 N ATOM 48 CE2 TRP A 6 2.573 -8.488 0.987 1.00 0.00 C ATOM 49 CE3 TRP A 6 1.538 -8.838 -1.159 1.00 0.00 C ATOM 50 CZ2 TRP A 6 1.394 -8.808 1.657 1.00 0.00 C ATOM 51 CZ3 TRP A 6 0.370 -9.154 -0.496 1.00 0.00 C ATOM 52 CH2 TRP A 6 0.305 -9.137 0.899 1.00 0.00 C ATOM 0 H TRP A 6 5.031 -8.138 -4.518 1.00 0.00 H new ATOM 0 HA TRP A 6 6.176 -9.468 -2.312 1.00 0.00 H new ATOM 0 HB2 TRP A 6 5.404 -7.235 -2.096 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.843 -7.603 -2.802 1.00 0.00 H new ATOM 0 HD1 TRP A 6 5.683 -7.595 0.535 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.030 -8.034 2.466 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.577 -8.855 -2.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.342 -8.797 2.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -0.509 -9.419 -1.065 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.624 -9.389 1.389 1.00 0.00 H new ATOM 53 N SER A 7 3.440 -10.843 -3.436 1.00 0.00 N ATOM 54 CA SER A 7 2.534 -11.971 -3.376 1.00 0.00 C ATOM 55 C SER A 7 3.188 -13.302 -3.768 1.00 0.00 C ATOM 56 O SER A 7 2.598 -14.349 -3.544 1.00 0.00 O ATOM 57 CB SER A 7 1.325 -11.738 -4.253 1.00 0.00 C ATOM 58 OG SER A 7 0.651 -10.553 -3.890 1.00 0.00 O ATOM 0 H SER A 7 3.332 -10.286 -4.283 1.00 0.00 H new ATOM 0 HA SER A 7 2.234 -12.049 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.636 -11.678 -5.296 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.645 -12.586 -4.171 1.00 0.00 H new ATOM 0 HG SER A 7 1.235 -9.782 -4.049 1.00 0.00 H new ATOM 59 N ARG A 8 4.371 -13.272 -4.404 1.00 0.00 N ATOM 60 CA ARG A 8 5.016 -14.524 -4.867 1.00 0.00 C ATOM 61 C ARG A 8 5.195 -15.534 -3.757 1.00 0.00 C ATOM 62 O ARG A 8 5.105 -16.726 -3.987 1.00 0.00 O ATOM 63 CB ARG A 8 6.339 -14.289 -5.600 1.00 0.00 C ATOM 64 CG ARG A 8 6.220 -13.584 -6.944 1.00 0.00 C ATOM 65 CD ARG A 8 5.405 -14.370 -7.992 1.00 0.00 C ATOM 66 NE ARG A 8 3.944 -14.381 -7.737 1.00 0.00 N ATOM 67 CZ ARG A 8 3.050 -13.587 -8.369 1.00 0.00 C ATOM 68 NH1 ARG A 8 3.455 -12.670 -9.229 1.00 0.00 N ATOM 69 NH2 ARG A 8 1.750 -13.707 -8.118 1.00 0.00 N ATOM 0 H ARG A 8 4.894 -12.420 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 8 4.318 -14.944 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.993 -13.701 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.826 -15.252 -5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.755 -12.610 -6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.220 -13.402 -7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.588 -13.940 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.766 -15.398 -8.021 1.00 0.00 H new ATOM 0 HE ARG A 8 3.589 -15.032 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.450 -12.556 -9.422 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.773 -12.076 -9.700 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.422 -14.401 -7.446 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.080 -13.105 -8.598 1.00 0.00 H new ATOM 70 N CYS A 9 5.432 -15.055 -2.577 1.00 0.00 N ATOM 71 CA CYS A 9 5.534 -15.948 -1.426 1.00 0.00 C ATOM 72 C CYS A 9 4.479 -15.617 -0.368 1.00 0.00 C ATOM 73 O CYS A 9 4.383 -16.281 0.663 1.00 0.00 O ATOM 74 CB CYS A 9 6.956 -15.967 -0.837 1.00 0.00 C ATOM 75 SG CYS A 9 7.582 -14.348 -0.288 1.00 0.00 S ATOM 0 H CYS A 9 5.560 -14.065 -2.368 1.00 0.00 H new ATOM 0 HA CYS A 9 5.330 -16.958 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.973 -16.653 0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.638 -16.369 -1.586 1.00 0.00 H new ATOM 76 N SER A 10 3.655 -14.623 -0.657 1.00 0.00 N ATOM 77 CA SER A 10 2.601 -14.220 0.244 1.00 0.00 C ATOM 78 C SER A 10 1.249 -14.466 -0.436 1.00 0.00 C ATOM 79 O SER A 10 0.818 -13.677 -1.291 1.00 0.00 O ATOM 80 CB SER A 10 2.747 -12.739 0.614 1.00 0.00 C ATOM 81 OG SER A 10 4.060 -12.456 1.080 1.00 0.00 O ATOM 0 H SER A 10 3.702 -14.079 -1.519 1.00 0.00 H new ATOM 0 HA SER A 10 2.664 -14.805 1.162 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.525 -12.120 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.020 -12.480 1.384 1.00 0.00 H new ATOM 0 HG SER A 10 4.560 -11.983 0.382 1.00 0.00 H new ATOM 82 N PRO A 11 0.588 -15.593 -0.125 1.00 0.00 N ATOM 83 CA PRO A 11 -0.687 -15.943 -0.731 1.00 0.00 C ATOM 84 C PRO A 11 -1.816 -15.007 -0.301 1.00 0.00 C ATOM 85 O PRO A 11 -2.420 -15.176 0.758 1.00 0.00 O ATOM 86 CB PRO A 11 -0.959 -17.383 -0.256 1.00 0.00 C ATOM 87 CG PRO A 11 0.322 -17.848 0.353 1.00 0.00 C ATOM 88 CD PRO A 11 1.028 -16.615 0.835 1.00 0.00 C ATOM 0 HA PRO A 11 -0.645 -15.855 -1.817 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.772 -17.410 0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.253 -18.022 -1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.134 -18.536 1.177 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.929 -18.383 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.745 -16.360 1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.111 -16.739 0.826 1.00 0.00 H new ATOM 89 N SER A 12 -2.014 -13.969 -1.070 1.00 0.00 N ATOM 90 CA SER A 12 -3.090 -13.039 -0.854 1.00 0.00 C ATOM 91 C SER A 12 -3.609 -12.526 -2.204 1.00 0.00 C ATOM 92 O SER A 12 -4.632 -12.995 -2.702 1.00 0.00 O ATOM 93 CB SER A 12 -2.633 -11.884 0.056 1.00 0.00 C ATOM 94 OG SER A 12 -2.147 -12.385 1.294 1.00 0.00 O ATOM 0 H SER A 12 -1.426 -13.743 -1.872 1.00 0.00 H new ATOM 0 HA SER A 12 -3.909 -13.547 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.852 -11.309 -0.442 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.465 -11.203 0.235 1.00 0.00 H new ATOM 0 HG SER A 12 -1.859 -11.638 1.859 1.00 0.00 H new ATOM 95 N THR A 13 -2.885 -11.625 -2.822 1.00 0.00 N ATOM 96 CA THR A 13 -3.291 -11.103 -4.090 1.00 0.00 C ATOM 97 C THR A 13 -2.738 -11.920 -5.257 1.00 0.00 C ATOM 98 O THR A 13 -1.618 -11.704 -5.729 1.00 0.00 O ATOM 99 CB THR A 13 -2.943 -9.612 -4.210 1.00 0.00 C ATOM 100 OG1 THR A 13 -1.688 -9.355 -3.562 1.00 0.00 O ATOM 101 CG2 THR A 13 -4.027 -8.751 -3.577 1.00 0.00 C ATOM 0 H THR A 13 -2.011 -11.242 -2.461 1.00 0.00 H new ATOM 0 HA THR A 13 -4.376 -11.192 -4.146 1.00 0.00 H new ATOM 0 HB THR A 13 -2.871 -9.359 -5.268 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.969 -9.808 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.759 -7.699 -3.674 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.976 -8.932 -4.082 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.123 -9.005 -2.521 1.00 0.00 H new ATOM 102 N ALA A 14 -3.509 -12.900 -5.677 1.00 0.00 N ATOM 103 CA ALA A 14 -3.131 -13.745 -6.784 1.00 0.00 C ATOM 104 C ALA A 14 -3.309 -13.001 -8.102 1.00 0.00 C ATOM 105 O ALA A 14 -4.411 -12.889 -8.629 1.00 0.00 O ATOM 106 CB ALA A 14 -3.929 -15.043 -6.772 1.00 0.00 C ATOM 0 H ALA A 14 -4.411 -13.131 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.077 -14.004 -6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.627 -15.664 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.739 -15.578 -5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.992 -14.817 -6.850 1.00 0.00 H new ATOM 107 N SER A 15 -2.246 -12.401 -8.566 1.00 0.00 N ATOM 108 CA SER A 15 -2.238 -11.695 -9.821 1.00 0.00 C ATOM 109 C SER A 15 -0.850 -11.786 -10.454 1.00 0.00 C ATOM 110 O SER A 15 0.158 -11.966 -9.727 1.00 0.00 O ATOM 111 CB SER A 15 -2.634 -10.232 -9.595 1.00 0.00 C ATOM 112 OG SER A 15 -3.943 -10.134 -8.999 1.00 0.00 O ATOM 0 H SER A 15 -1.350 -12.388 -8.078 1.00 0.00 H new ATOM 0 HA SER A 15 -2.960 -12.149 -10.499 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.900 -9.749 -8.950 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.623 -9.698 -10.545 1.00 0.00 H new ATOM 0 HG SER A 15 -4.334 -9.260 -9.210 1.00 0.00 H new ATOM 113 N ALA A 16 -0.814 -11.728 -11.788 1.00 0.00 N ATOM 114 CA ALA A 16 0.405 -11.770 -12.583 1.00 0.00 C ATOM 115 C ALA A 16 0.035 -11.519 -14.051 1.00 0.00 C ATOM 116 O ALA A 16 -1.052 -11.907 -14.478 1.00 0.00 O ATOM 117 CB ALA A 16 1.080 -13.125 -12.441 1.00 0.00 C ATOM 0 H ALA A 16 -1.658 -11.648 -12.355 1.00 0.00 H new ATOM 0 HA ALA A 16 1.100 -11.005 -12.236 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.990 -13.143 -13.041 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.331 -13.298 -11.395 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.403 -13.907 -12.786 1.00 0.00 H new ATOM 118 N THR A 17 0.884 -10.825 -14.800 1.00 0.00 N ATOM 119 CA THR A 17 0.640 -10.533 -16.226 1.00 0.00 C ATOM 120 C THR A 17 1.984 -10.164 -16.918 1.00 0.00 C ATOM 121 O THR A 17 2.843 -9.552 -16.291 1.00 0.00 O ATOM 122 CB THR A 17 -0.363 -9.322 -16.393 1.00 0.00 C ATOM 123 OG1 THR A 17 -1.587 -9.564 -15.660 1.00 0.00 O ATOM 124 CG2 THR A 17 -0.719 -9.092 -17.861 1.00 0.00 C ATOM 0 H THR A 17 1.762 -10.445 -14.446 1.00 0.00 H new ATOM 0 HA THR A 17 0.205 -11.421 -16.685 1.00 0.00 H new ATOM 0 HB THR A 17 0.139 -8.438 -15.999 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.664 -10.520 -15.458 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.410 -8.253 -17.941 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.187 -8.871 -18.425 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.189 -9.988 -18.266 1.00 0.00 H new ATOM 125 N GLY A 18 2.170 -10.593 -18.173 1.00 0.00 N ATOM 126 CA GLY A 18 3.345 -10.204 -18.976 1.00 0.00 C ATOM 127 C GLY A 18 4.671 -10.648 -18.384 1.00 0.00 C ATOM 128 O GLY A 18 5.090 -11.779 -18.574 1.00 0.00 O ATOM 0 H GLY A 18 1.521 -11.212 -18.659 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.245 -10.627 -19.976 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.353 -9.120 -19.088 1.00 0.00 H new ATOM 129 N VAL A 19 5.312 -9.747 -17.635 1.00 0.00 N ATOM 130 CA VAL A 19 6.584 -10.033 -16.971 1.00 0.00 C ATOM 131 C VAL A 19 6.358 -11.085 -15.865 1.00 0.00 C ATOM 132 O VAL A 19 7.297 -11.765 -15.414 1.00 0.00 O ATOM 133 CB VAL A 19 7.233 -8.723 -16.396 1.00 0.00 C ATOM 134 CG1 VAL A 19 6.357 -8.062 -15.337 1.00 0.00 C ATOM 135 CG2 VAL A 19 8.644 -8.974 -15.864 1.00 0.00 C ATOM 0 H VAL A 19 4.964 -8.802 -17.473 1.00 0.00 H new ATOM 0 HA VAL A 19 7.284 -10.437 -17.702 1.00 0.00 H new ATOM 0 HB VAL A 19 7.313 -8.026 -17.231 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.848 -7.161 -14.970 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.394 -7.798 -15.774 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.202 -8.754 -14.509 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.057 -8.043 -15.475 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.605 -9.715 -15.066 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.277 -9.343 -16.671 1.00 0.00 H new ATOM 136 N LEU A 20 5.082 -11.179 -15.443 1.00 0.00 N ATOM 137 CA LEU A 20 4.550 -12.175 -14.500 1.00 0.00 C ATOM 138 C LEU A 20 4.826 -11.802 -13.048 1.00 0.00 C ATOM 139 O LEU A 20 4.187 -12.321 -12.146 1.00 0.00 O ATOM 140 CB LEU A 20 5.063 -13.604 -14.838 1.00 0.00 C ATOM 141 CG LEU A 20 4.366 -14.790 -14.166 1.00 0.00 C ATOM 142 CD1 LEU A 20 2.983 -15.006 -14.764 1.00 0.00 C ATOM 143 CD2 LEU A 20 5.207 -16.048 -14.301 1.00 0.00 C ATOM 0 H LEU A 20 4.363 -10.532 -15.767 1.00 0.00 H new ATOM 0 HA LEU A 20 3.466 -12.179 -14.617 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.989 -13.740 -15.917 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.122 -13.649 -14.582 1.00 0.00 H new ATOM 0 HG LEU A 20 4.251 -14.565 -13.106 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.503 -15.853 -14.274 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.379 -14.111 -14.616 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.076 -15.209 -15.831 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.696 -16.881 -13.818 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.354 -16.276 -15.357 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.175 -15.891 -13.826 1.00 0.00 H new ATOM 144 N TRP A 21 5.715 -10.837 -12.865 1.00 0.00 N ATOM 145 CA TRP A 21 6.217 -10.422 -11.539 1.00 0.00 C ATOM 146 C TRP A 21 6.614 -11.646 -10.750 1.00 0.00 C ATOM 147 O TRP A 21 6.011 -11.999 -9.763 1.00 0.00 O ATOM 148 CB TRP A 21 5.231 -9.543 -10.756 1.00 0.00 C ATOM 149 CG TRP A 21 4.962 -8.206 -11.382 1.00 0.00 C ATOM 150 CD1 TRP A 21 5.637 -7.026 -11.167 1.00 0.00 C ATOM 151 CD2 TRP A 21 3.948 -7.908 -12.331 1.00 0.00 C ATOM 152 NE1 TRP A 21 5.058 -6.028 -11.877 1.00 0.00 N ATOM 153 CE2 TRP A 21 4.040 -6.541 -12.624 1.00 0.00 C ATOM 154 CE3 TRP A 21 2.964 -8.660 -12.953 1.00 0.00 C ATOM 155 CZ2 TRP A 21 3.189 -5.919 -13.517 1.00 0.00 C ATOM 156 CZ3 TRP A 21 2.123 -8.037 -13.839 1.00 0.00 C ATOM 157 CH2 TRP A 21 2.240 -6.685 -14.117 1.00 0.00 C ATOM 0 H TRP A 21 6.121 -10.306 -13.635 1.00 0.00 H new ATOM 0 HA TRP A 21 7.090 -9.791 -11.703 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.288 -10.079 -10.653 1.00 0.00 H new ATOM 0 HB3 TRP A 21 5.621 -9.388 -9.750 1.00 0.00 H new ATOM 0 HD1 TRP A 21 6.500 -6.913 -10.527 1.00 0.00 H new ATOM 0 HE1 TRP A 21 5.339 -5.048 -11.856 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.862 -9.715 -12.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.275 -4.864 -13.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 1.353 -8.613 -14.331 1.00 0.00 H new ATOM 0 HH2 TRP A 21 1.563 -6.230 -14.825 1.00 0.00 H new ATOM 158 N ARG A 22 7.570 -12.328 -11.296 1.00 0.00 N ATOM 159 CA ARG A 22 8.092 -13.592 -10.782 1.00 0.00 C ATOM 160 C ARG A 22 9.400 -13.347 -10.096 1.00 0.00 C ATOM 161 O ARG A 22 10.047 -14.275 -9.633 1.00 0.00 O ATOM 162 CB ARG A 22 8.307 -14.547 -11.972 1.00 0.00 C ATOM 163 CG ARG A 22 8.936 -13.835 -13.182 1.00 0.00 C ATOM 164 CD ARG A 22 9.167 -14.736 -14.384 1.00 0.00 C ATOM 165 NE ARG A 22 9.305 -13.923 -15.617 1.00 0.00 N ATOM 166 CZ ARG A 22 10.307 -13.987 -16.524 1.00 0.00 C ATOM 167 NH1 ARG A 22 11.379 -14.725 -16.308 1.00 0.00 N ATOM 168 NH2 ARG A 22 10.238 -13.273 -17.648 1.00 0.00 N ATOM 0 H ARG A 22 8.040 -12.022 -12.148 1.00 0.00 H new ATOM 0 HA ARG A 22 7.391 -14.029 -10.071 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.950 -15.371 -11.663 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.351 -14.981 -12.265 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.290 -13.009 -13.480 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.889 -13.401 -12.879 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.066 -15.334 -14.232 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.335 -15.432 -14.490 1.00 0.00 H new ATOM 0 HE ARG A 22 8.566 -13.244 -15.801 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.464 -15.261 -15.444 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.123 -14.760 -17.005 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.429 -12.677 -17.825 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.994 -13.322 -18.331 1.00 0.00 H new ATOM 169 N SER A 23 9.712 -12.084 -10.003 1.00 0.00 N ATOM 170 CA SER A 23 10.971 -11.535 -9.582 1.00 0.00 C ATOM 171 C SER A 23 11.474 -12.089 -8.259 1.00 0.00 C ATOM 172 O SER A 23 12.677 -12.247 -8.075 1.00 0.00 O ATOM 173 CB SER A 23 10.763 -10.050 -9.433 1.00 0.00 C ATOM 174 OG SER A 23 9.946 -9.551 -10.498 1.00 0.00 O ATOM 0 H SER A 23 9.039 -11.355 -10.238 1.00 0.00 H new ATOM 0 HA SER A 23 11.723 -11.798 -10.326 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.291 -9.837 -8.474 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.726 -9.539 -9.435 1.00 0.00 H new ATOM 0 HG SER A 23 9.218 -9.011 -10.126 1.00 0.00 H new ATOM 175 N CYS A 24 10.582 -12.359 -7.351 1.00 0.00 N ATOM 176 CA CYS A 24 11.006 -12.757 -6.068 1.00 0.00 C ATOM 177 C CYS A 24 11.322 -14.260 -5.894 1.00 0.00 C ATOM 178 O CYS A 24 12.243 -14.788 -6.540 1.00 0.00 O ATOM 179 CB CYS A 24 10.100 -12.212 -4.989 1.00 0.00 C ATOM 180 SG CYS A 24 10.799 -12.423 -3.349 1.00 0.00 S ATOM 0 H CYS A 24 9.572 -12.308 -7.485 1.00 0.00 H new ATOM 0 HA CYS A 24 11.986 -12.294 -5.950 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.917 -11.153 -5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.135 -12.716 -5.039 1.00 0.00 H new ATOM 181 N ASP A 25 10.534 -14.960 -5.055 1.00 0.00 N ATOM 182 CA ASP A 25 10.841 -16.341 -4.654 1.00 0.00 C ATOM 183 C ASP A 25 10.911 -17.273 -5.833 1.00 0.00 C ATOM 184 O ASP A 25 11.775 -18.121 -5.890 1.00 0.00 O ATOM 185 CB ASP A 25 9.847 -16.862 -3.599 1.00 0.00 C ATOM 186 CG ASP A 25 10.251 -18.223 -3.029 1.00 0.00 C ATOM 187 OD1 ASP A 25 11.105 -18.274 -2.105 1.00 0.00 O ATOM 188 OD2 ASP A 25 9.747 -19.253 -3.479 1.00 0.00 O ATOM 0 H ASP A 25 9.679 -14.588 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 25 11.831 -16.318 -4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.774 -16.139 -2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.856 -16.940 -4.046 1.00 0.00 H new ATOM 189 N SER A 26 10.048 -17.051 -6.805 1.00 0.00 N ATOM 190 CA SER A 26 9.993 -17.868 -7.989 1.00 0.00 C ATOM 191 C SER A 26 11.322 -17.772 -8.773 1.00 0.00 C ATOM 192 O SER A 26 11.914 -18.780 -9.134 1.00 0.00 O ATOM 193 CB SER A 26 8.831 -17.373 -8.838 1.00 0.00 C ATOM 194 OG SER A 26 7.669 -17.210 -8.023 1.00 0.00 O ATOM 0 H SER A 26 9.365 -16.294 -6.790 1.00 0.00 H new ATOM 0 HA SER A 26 9.846 -18.915 -7.723 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.091 -16.425 -9.309 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.627 -18.082 -9.640 1.00 0.00 H new ATOM 0 HG SER A 26 6.870 -17.205 -8.590 1.00 0.00 H new ATOM 195 N TYR A 27 11.794 -16.558 -8.956 1.00 0.00 N ATOM 196 CA TYR A 27 13.000 -16.277 -9.706 1.00 0.00 C ATOM 197 C TYR A 27 14.253 -16.666 -8.914 1.00 0.00 C ATOM 198 O TYR A 27 15.117 -17.382 -9.421 1.00 0.00 O ATOM 199 CB TYR A 27 12.985 -14.796 -10.102 1.00 0.00 C ATOM 200 CG TYR A 27 14.214 -14.247 -10.768 1.00 0.00 C ATOM 201 CD1 TYR A 27 14.579 -14.705 -12.015 1.00 0.00 C ATOM 202 CD2 TYR A 27 15.006 -13.289 -10.159 1.00 0.00 C ATOM 203 CE1 TYR A 27 15.690 -14.234 -12.648 1.00 0.00 C ATOM 204 CE2 TYR A 27 16.135 -12.794 -10.784 1.00 0.00 C ATOM 205 CZ TYR A 27 16.476 -13.279 -12.040 1.00 0.00 C ATOM 206 OH TYR A 27 17.593 -12.788 -12.711 1.00 0.00 O ATOM 0 H TYR A 27 11.343 -15.723 -8.581 1.00 0.00 H new ATOM 0 HA TYR A 27 13.029 -16.882 -10.612 1.00 0.00 H new ATOM 0 HB2 TYR A 27 12.139 -14.634 -10.770 1.00 0.00 H new ATOM 0 HB3 TYR A 27 12.798 -14.209 -9.203 1.00 0.00 H new ATOM 0 HD1 TYR A 27 13.971 -15.454 -12.501 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.737 -12.922 -9.179 1.00 0.00 H new ATOM 0 HE1 TYR A 27 15.954 -14.609 -13.626 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.743 -12.042 -10.303 1.00 0.00 H new ATOM 0 HH TYR A 27 18.405 -13.047 -12.228 1.00 0.00 H new ATOM 207 N CYS A 28 14.338 -16.247 -7.669 1.00 0.00 N ATOM 208 CA CYS A 28 15.473 -16.569 -6.839 1.00 0.00 C ATOM 209 C CYS A 28 15.663 -18.089 -6.657 1.00 0.00 C ATOM 210 O CYS A 28 16.795 -18.547 -6.519 1.00 0.00 O ATOM 211 CB CYS A 28 15.348 -15.889 -5.466 1.00 0.00 C ATOM 212 SG CYS A 28 15.347 -14.064 -5.508 1.00 0.00 S ATOM 0 H CYS A 28 13.627 -15.678 -7.209 1.00 0.00 H new ATOM 0 HA CYS A 28 16.355 -16.190 -7.355 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.427 -16.227 -4.992 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.172 -16.223 -4.835 1.00 0.00 H new ATOM 213 N LYS A 29 14.584 -18.865 -6.796 1.00 0.00 N ATOM 214 CA LYS A 29 14.567 -20.255 -6.449 1.00 0.00 C ATOM 215 C LYS A 29 15.314 -21.032 -7.476 1.00 0.00 C ATOM 216 O LYS A 29 16.207 -21.804 -7.182 1.00 0.00 O ATOM 217 CB LYS A 29 13.129 -20.719 -6.504 1.00 0.00 C ATOM 218 CG LYS A 29 12.689 -21.610 -5.398 1.00 0.00 C ATOM 219 CD LYS A 29 12.647 -20.852 -4.093 1.00 0.00 C ATOM 220 CE LYS A 29 11.886 -21.620 -3.038 1.00 0.00 C ATOM 221 NZ LYS A 29 11.739 -20.834 -1.805 1.00 0.00 N ATOM 0 H LYS A 29 13.694 -18.523 -7.159 1.00 0.00 H new ATOM 0 HA LYS A 29 15.012 -20.399 -5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.485 -19.840 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.972 -21.240 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.703 -22.016 -5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 29 13.370 -22.456 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.663 -20.663 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.177 -19.881 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.901 -21.888 -3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.407 -22.552 -2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.893 -21.151 -1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.579 -20.967 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.641 -19.827 -2.045 1.00 0.00 H new ATOM 222 N VAL A 30 14.934 -20.804 -8.686 1.00 0.00 N ATOM 223 CA VAL A 30 15.400 -21.515 -9.763 1.00 0.00 C ATOM 224 C VAL A 30 16.637 -20.906 -10.401 1.00 0.00 C ATOM 225 O VAL A 30 17.526 -21.626 -10.876 1.00 0.00 O ATOM 226 CB VAL A 30 14.272 -21.633 -10.773 1.00 0.00 C ATOM 227 CG1 VAL A 30 13.171 -22.501 -10.229 1.00 0.00 C ATOM 228 CG2 VAL A 30 13.699 -20.279 -11.190 1.00 0.00 C ATOM 0 H VAL A 30 14.260 -20.079 -8.933 1.00 0.00 H new ATOM 0 HA VAL A 30 15.713 -22.498 -9.412 1.00 0.00 H new ATOM 0 HB VAL A 30 14.703 -22.090 -11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.370 -22.576 -10.964 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.563 -23.496 -10.017 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.781 -22.061 -9.311 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.897 -20.430 -11.913 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.305 -19.765 -10.313 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.486 -19.675 -11.642 1.00 0.00 H new ATOM 229 N CYS A 31 16.720 -19.612 -10.382 1.00 0.00 N ATOM 230 CA CYS A 31 17.789 -18.933 -11.075 1.00 0.00 C ATOM 231 C CYS A 31 19.051 -18.864 -10.265 1.00 0.00 C ATOM 232 O CYS A 31 20.056 -19.441 -10.643 1.00 0.00 O ATOM 233 CB CYS A 31 17.334 -17.575 -11.533 1.00 0.00 C ATOM 234 SG CYS A 31 15.740 -17.646 -12.392 1.00 0.00 S ATOM 0 H CYS A 31 16.065 -18.999 -9.897 1.00 0.00 H new ATOM 0 HA CYS A 31 18.039 -19.523 -11.957 1.00 0.00 H new ATOM 0 HB2 CYS A 31 17.253 -16.911 -10.673 1.00 0.00 H new ATOM 0 HB3 CYS A 31 18.085 -17.146 -12.197 1.00 0.00 H new ATOM 235 N PHE A 32 18.986 -18.243 -9.118 1.00 0.00 N ATOM 236 CA PHE A 32 20.157 -18.076 -8.280 1.00 0.00 C ATOM 237 C PHE A 32 20.193 -19.181 -7.258 1.00 0.00 C ATOM 238 O PHE A 32 20.986 -19.159 -6.330 1.00 0.00 O ATOM 239 CB PHE A 32 20.126 -16.719 -7.587 1.00 0.00 C ATOM 240 CG PHE A 32 20.186 -15.551 -8.519 1.00 0.00 C ATOM 241 CD1 PHE A 32 19.044 -15.052 -9.099 1.00 0.00 C ATOM 242 CD2 PHE A 32 21.393 -14.945 -8.804 1.00 0.00 C ATOM 243 CE1 PHE A 32 19.104 -13.977 -9.945 1.00 0.00 C ATOM 244 CE2 PHE A 32 21.458 -13.866 -9.655 1.00 0.00 C ATOM 245 CZ PHE A 32 20.310 -13.381 -10.227 1.00 0.00 C ATOM 0 H PHE A 32 18.131 -17.840 -8.735 1.00 0.00 H new ATOM 0 HA PHE A 32 21.053 -18.122 -8.899 1.00 0.00 H new ATOM 0 HB2 PHE A 32 19.215 -16.648 -6.993 1.00 0.00 H new ATOM 0 HB3 PHE A 32 20.965 -16.659 -6.893 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.091 -15.512 -8.885 1.00 0.00 H new ATOM 0 HD2 PHE A 32 22.299 -15.323 -8.353 1.00 0.00 H new ATOM 0 HE1 PHE A 32 18.199 -13.595 -10.393 1.00 0.00 H new ATOM 0 HE2 PHE A 32 22.409 -13.403 -9.872 1.00 0.00 H new ATOM 0 HZ PHE A 32 20.353 -12.534 -10.896 1.00 0.00 H new ATOM 246 N LYS A 33 19.342 -20.173 -7.502 1.00 0.00 N ATOM 247 CA LYS A 33 19.105 -21.310 -6.650 1.00 0.00 C ATOM 248 C LYS A 33 19.168 -20.995 -5.165 1.00 0.00 C ATOM 249 O LYS A 33 19.805 -21.683 -4.366 1.00 0.00 O ATOM 250 CB LYS A 33 19.872 -22.527 -7.157 1.00 0.00 C ATOM 251 CG LYS A 33 19.156 -23.107 -8.391 1.00 0.00 C ATOM 252 CD LYS A 33 20.022 -23.980 -9.291 1.00 0.00 C ATOM 253 CE LYS A 33 20.949 -23.148 -10.188 1.00 0.00 C ATOM 254 NZ LYS A 33 20.207 -22.230 -11.104 1.00 0.00 N ATOM 0 H LYS A 33 18.773 -20.197 -8.348 1.00 0.00 H new ATOM 0 HA LYS A 33 18.058 -21.604 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.893 -22.245 -7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.938 -23.282 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.302 -23.695 -8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.760 -22.282 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.621 -24.651 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.382 -24.605 -9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.621 -22.562 -9.561 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.570 -23.819 -10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.486 -22.420 -12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.184 -22.386 -10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.433 -21.243 -10.865 1.00 0.00 H new ATOM 255 N ALA A 34 18.471 -19.913 -4.842 1.00 0.00 N ATOM 256 CA ALA A 34 18.346 -19.360 -3.524 1.00 0.00 C ATOM 257 C ALA A 34 17.446 -20.219 -2.693 1.00 0.00 C ATOM 258 O ALA A 34 16.782 -21.123 -3.204 1.00 0.00 O ATOM 259 CB ALA A 34 17.814 -17.920 -3.621 1.00 0.00 C ATOM 0 H ALA A 34 17.954 -19.378 -5.540 1.00 0.00 H new ATOM 0 HA ALA A 34 19.322 -19.333 -3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.719 -17.499 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.507 -17.315 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.838 -17.925 -4.107 1.00 0.00 H new ATOM 260 N ASP A 35 17.405 -19.951 -1.426 1.00 0.00 N ATOM 261 CA ASP A 35 16.632 -20.757 -0.547 1.00 0.00 C ATOM 262 C ASP A 35 15.239 -20.245 -0.574 1.00 0.00 C ATOM 263 O ASP A 35 14.263 -21.006 -0.643 1.00 0.00 O ATOM 264 CB ASP A 35 17.194 -20.699 0.855 1.00 0.00 C ATOM 265 CG ASP A 35 16.578 -21.723 1.747 1.00 0.00 C ATOM 266 OD1 ASP A 35 17.075 -22.861 1.739 1.00 0.00 O ATOM 267 OD2 ASP A 35 15.608 -21.394 2.469 1.00 0.00 O ATOM 0 H ASP A 35 17.900 -19.178 -0.981 1.00 0.00 H new ATOM 0 HA ASP A 35 16.657 -21.799 -0.866 1.00 0.00 H new ATOM 0 HB2 ASP A 35 18.273 -20.851 0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 35 17.025 -19.706 1.272 1.00 0.00 H new ATOM 268 N ARG A 36 15.128 -18.938 -0.592 1.00 0.00 N ATOM 269 CA ARG A 36 13.845 -18.324 -0.646 1.00 0.00 C ATOM 270 C ARG A 36 14.002 -16.908 -1.079 1.00 0.00 C ATOM 271 O ARG A 36 15.139 -16.408 -1.167 1.00 0.00 O ATOM 272 CB ARG A 36 13.119 -18.447 0.718 1.00 0.00 C ATOM 273 CG ARG A 36 13.803 -17.746 1.880 1.00 0.00 C ATOM 274 CD ARG A 36 13.299 -18.275 3.214 1.00 0.00 C ATOM 275 NE ARG A 36 13.728 -19.672 3.429 1.00 0.00 N ATOM 276 CZ ARG A 36 13.307 -20.506 4.379 1.00 0.00 C ATOM 277 NH1 ARG A 36 12.354 -20.139 5.249 1.00 0.00 N ATOM 278 NH2 ARG A 36 13.853 -21.714 4.444 1.00 0.00 N ATOM 0 H ARG A 36 15.915 -18.290 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 36 13.218 -18.836 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.112 -18.044 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.015 -19.504 0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.881 -17.891 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.621 -16.673 1.819 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.674 -17.648 4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.211 -18.217 3.244 1.00 0.00 H new ATOM 0 HE ARG A 36 14.423 -20.039 2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.940 -19.209 5.189 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.044 -20.790 5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.576 -21.984 3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.550 -22.373 5.161 1.00 0.00 H new ATOM 279 N GLY A 37 12.926 -16.310 -1.422 1.00 0.00 N ATOM 280 CA GLY A 37 12.920 -14.936 -1.755 1.00 0.00 C ATOM 281 C GLY A 37 12.191 -14.174 -0.692 1.00 0.00 C ATOM 282 O GLY A 37 11.304 -14.730 -0.036 1.00 0.00 O ATOM 0 H GLY A 37 12.014 -16.764 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.942 -14.568 -1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.439 -14.786 -2.721 1.00 0.00 H new ATOM 283 N GLU A 38 12.573 -12.955 -0.471 1.00 0.00 N ATOM 284 CA GLU A 38 11.920 -12.134 0.437 1.00 0.00 C ATOM 285 C GLU A 38 11.015 -11.224 -0.390 1.00 0.00 C ATOM 286 O GLU A 38 11.499 -10.298 -1.070 1.00 0.00 O ATOM 287 CB GLU A 38 12.978 -11.310 1.120 1.00 0.00 C ATOM 288 CG GLU A 38 12.498 -10.651 2.336 1.00 0.00 C ATOM 289 CD GLU A 38 13.477 -9.634 2.879 1.00 0.00 C ATOM 290 OE1 GLU A 38 14.712 -9.832 2.749 1.00 0.00 O ATOM 291 OE2 GLU A 38 13.040 -8.606 3.421 1.00 0.00 O ATOM 0 H GLU A 38 13.366 -12.516 -0.938 1.00 0.00 H new ATOM 0 HA GLU A 38 11.340 -12.685 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.823 -11.951 1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.346 -10.555 0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.549 -10.158 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.304 -11.405 3.099 1.00 0.00 H new ATOM 292 N CYS A 39 9.731 -11.488 -0.357 1.00 0.00 N ATOM 293 CA CYS A 39 8.790 -10.767 -1.192 1.00 0.00 C ATOM 294 C CYS A 39 8.272 -9.583 -0.446 1.00 0.00 C ATOM 295 O CYS A 39 7.332 -9.683 0.338 1.00 0.00 O ATOM 296 CB CYS A 39 7.606 -11.651 -1.559 1.00 0.00 C ATOM 297 SG CYS A 39 8.008 -13.361 -2.000 1.00 0.00 S ATOM 0 H CYS A 39 9.309 -12.199 0.240 1.00 0.00 H new ATOM 0 HA CYS A 39 9.308 -10.458 -2.100 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.913 -11.666 -0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 39 7.081 -11.193 -2.397 1.00 0.00 H new ATOM 298 N TYR A 40 8.918 -8.509 -0.623 1.00 0.00 N ATOM 299 CA TYR A 40 8.509 -7.272 -0.056 1.00 0.00 C ATOM 300 C TYR A 40 8.168 -6.368 -1.168 1.00 0.00 C ATOM 301 O TYR A 40 8.533 -6.644 -2.292 1.00 0.00 O ATOM 302 CB TYR A 40 9.590 -6.678 0.854 1.00 0.00 C ATOM 303 CG TYR A 40 10.958 -6.606 0.194 1.00 0.00 C ATOM 304 CD1 TYR A 40 11.256 -5.594 -0.687 1.00 0.00 C ATOM 305 CD2 TYR A 40 11.945 -7.532 0.472 1.00 0.00 C ATOM 306 CE1 TYR A 40 12.494 -5.497 -1.280 1.00 0.00 C ATOM 307 CE2 TYR A 40 13.185 -7.446 -0.110 1.00 0.00 C ATOM 308 CZ TYR A 40 13.459 -6.425 -0.986 1.00 0.00 C ATOM 309 OH TYR A 40 14.707 -6.339 -1.577 1.00 0.00 O ATOM 0 H TYR A 40 9.771 -8.449 -1.179 1.00 0.00 H new ATOM 0 HA TYR A 40 7.639 -7.421 0.584 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.288 -5.676 1.159 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.663 -7.279 1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.501 -4.858 -0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 40 11.737 -8.338 1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.704 -4.695 -1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.943 -8.180 0.121 1.00 0.00 H new ATOM 0 HH TYR A 40 14.916 -5.400 -1.765 1.00 0.00 H new ATOM 310 N ASP A 41 7.434 -5.358 -0.897 1.00 0.00 N ATOM 311 CA ASP A 41 7.087 -4.428 -1.910 1.00 0.00 C ATOM 312 C ASP A 41 7.782 -3.123 -1.643 1.00 0.00 C ATOM 313 O ASP A 41 8.239 -2.886 -0.528 1.00 0.00 O ATOM 314 CB ASP A 41 5.586 -4.222 -1.965 1.00 0.00 C ATOM 315 CG ASP A 41 5.030 -3.331 -0.893 1.00 0.00 C ATOM 316 OD1 ASP A 41 4.845 -3.775 0.226 1.00 0.00 O ATOM 317 OD2 ASP A 41 4.709 -2.170 -1.213 1.00 0.00 O ATOM 0 H ASP A 41 7.056 -5.149 0.027 1.00 0.00 H new ATOM 0 HA ASP A 41 7.406 -4.821 -2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.327 -3.802 -2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.098 -5.194 -1.898 1.00 0.00 H new ATOM 318 N SER A 42 7.963 -2.333 -2.682 1.00 0.00 N ATOM 319 CA SER A 42 8.486 -0.992 -2.539 1.00 0.00 C ATOM 320 C SER A 42 7.481 -0.129 -1.722 1.00 0.00 C ATOM 321 O SER A 42 6.440 0.280 -2.246 1.00 0.00 O ATOM 322 CB SER A 42 8.689 -0.405 -3.927 1.00 0.00 C ATOM 323 OG SER A 42 9.475 -1.283 -4.719 1.00 0.00 O ATOM 0 H SER A 42 7.753 -2.602 -3.643 1.00 0.00 H new ATOM 0 HA SER A 42 9.438 -1.007 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.723 -0.238 -4.404 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.179 0.566 -3.851 1.00 0.00 H new ATOM 0 HG SER A 42 9.598 -0.897 -5.611 1.00 0.00 H new ATOM 324 N PRO A 43 7.803 0.190 -0.443 1.00 0.00 N ATOM 325 CA PRO A 43 6.857 0.852 0.472 1.00 0.00 C ATOM 326 C PRO A 43 6.591 2.308 0.108 1.00 0.00 C ATOM 327 O PRO A 43 5.613 2.904 0.551 1.00 0.00 O ATOM 328 CB PRO A 43 7.551 0.750 1.835 1.00 0.00 C ATOM 329 CG PRO A 43 9.004 0.679 1.518 1.00 0.00 C ATOM 330 CD PRO A 43 9.114 -0.056 0.209 1.00 0.00 C ATOM 0 HA PRO A 43 5.874 0.383 0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.324 1.614 2.460 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.222 -0.134 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.435 1.677 1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.549 0.157 2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.939 0.322 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.292 -1.121 0.361 1.00 0.00 H new ATOM 331 N SER A 44 7.453 2.856 -0.716 1.00 0.00 N ATOM 332 CA SER A 44 7.353 4.221 -1.160 1.00 0.00 C ATOM 333 C SER A 44 6.225 4.379 -2.192 1.00 0.00 C ATOM 334 O SER A 44 5.777 5.485 -2.475 1.00 0.00 O ATOM 335 CB SER A 44 8.689 4.619 -1.766 1.00 0.00 C ATOM 336 OG SER A 44 9.749 4.278 -0.874 1.00 0.00 O ATOM 0 H SER A 44 8.254 2.356 -1.101 1.00 0.00 H new ATOM 0 HA SER A 44 7.115 4.868 -0.316 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.830 4.114 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.702 5.690 -1.967 1.00 0.00 H new ATOM 0 HG SER A 44 10.607 4.536 -1.272 1.00 0.00 H new ATOM 337 N LEU A 45 5.765 3.269 -2.732 1.00 0.00 N ATOM 338 CA LEU A 45 4.723 3.289 -3.715 1.00 0.00 C ATOM 339 C LEU A 45 3.551 2.474 -3.263 1.00 0.00 C ATOM 340 O LEU A 45 3.691 1.519 -2.503 1.00 0.00 O ATOM 341 CB LEU A 45 5.209 2.756 -5.064 1.00 0.00 C ATOM 342 CG LEU A 45 6.183 3.623 -5.853 1.00 0.00 C ATOM 343 CD1 LEU A 45 6.597 2.893 -7.113 1.00 0.00 C ATOM 344 CD2 LEU A 45 5.537 4.956 -6.214 1.00 0.00 C ATOM 0 H LEU A 45 6.106 2.337 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 45 4.422 4.329 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.682 1.789 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.335 2.577 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 45 7.062 3.820 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.294 3.511 -7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.080 1.953 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.716 2.689 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.246 5.563 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.649 4.778 -6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.253 5.482 -5.302 1.00 0.00 H new ATOM 345 N ASN A 46 2.403 2.870 -3.697 1.00 0.00 N ATOM 346 CA ASN A 46 1.190 2.138 -3.474 1.00 0.00 C ATOM 347 C ASN A 46 0.513 2.062 -4.798 1.00 0.00 C ATOM 348 O ASN A 46 -0.125 3.010 -5.238 1.00 0.00 O ATOM 349 CB ASN A 46 0.281 2.787 -2.403 1.00 0.00 C ATOM 350 CG ASN A 46 0.912 2.796 -1.014 1.00 0.00 C ATOM 351 OD1 ASN A 46 0.790 1.836 -0.256 1.00 0.00 O ATOM 352 ND2 ASN A 46 1.578 3.874 -0.665 1.00 0.00 N ATOM 0 H ASN A 46 2.272 3.730 -4.229 1.00 0.00 H new ATOM 0 HA ASN A 46 1.411 1.147 -3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.053 3.811 -2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.666 2.248 -2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.011 3.930 0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.662 4.655 -1.316 1.00 0.00 H new ATOM 353 N CYS A 47 0.730 0.981 -5.469 1.00 0.00 N ATOM 354 CA CYS A 47 0.290 0.837 -6.811 1.00 0.00 C ATOM 355 C CYS A 47 -0.684 -0.366 -6.935 1.00 0.00 C ATOM 356 O CYS A 47 -0.390 -1.463 -6.436 1.00 0.00 O ATOM 357 CB CYS A 47 1.542 0.753 -7.747 1.00 0.00 C ATOM 358 SG CYS A 47 2.713 -0.646 -7.461 1.00 0.00 S ATOM 0 H CYS A 47 1.221 0.168 -5.097 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.286 1.705 -7.131 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.191 0.695 -8.777 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.099 1.685 -7.652 1.00 0.00 H new ATOM 359 N PRO A 48 -1.892 -0.170 -7.539 1.00 0.00 N ATOM 360 CA PRO A 48 -2.909 -1.206 -7.632 1.00 0.00 C ATOM 361 C PRO A 48 -2.891 -2.031 -8.941 1.00 0.00 C ATOM 362 O PRO A 48 -3.596 -1.715 -9.901 1.00 0.00 O ATOM 363 CB PRO A 48 -4.210 -0.413 -7.503 1.00 0.00 C ATOM 364 CG PRO A 48 -3.892 0.966 -8.030 1.00 0.00 C ATOM 365 CD PRO A 48 -2.378 1.080 -8.146 1.00 0.00 C ATOM 0 HA PRO A 48 -2.756 -1.969 -6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.012 -0.878 -8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.543 -0.370 -6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.363 1.122 -9.001 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.283 1.731 -7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.061 1.172 -9.185 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.000 1.956 -7.619 1.00 0.00 H new ATOM 366 N HIS A 49 -2.083 -3.096 -8.931 1.00 0.00 N ATOM 367 CA HIS A 49 -1.899 -4.064 -10.062 1.00 0.00 C ATOM 368 C HIS A 49 -1.157 -3.506 -11.252 1.00 0.00 C ATOM 369 O HIS A 49 -1.196 -2.310 -11.517 1.00 0.00 O ATOM 370 CB HIS A 49 -3.150 -4.609 -10.574 1.00 0.00 C ATOM 371 CG HIS A 49 -3.821 -5.631 -9.733 1.00 0.00 C ATOM 372 ND1 HIS A 49 -5.059 -5.450 -9.148 1.00 0.00 N ATOM 373 CD2 HIS A 49 -3.453 -6.886 -9.441 1.00 0.00 C ATOM 374 CE1 HIS A 49 -5.413 -6.567 -8.531 1.00 0.00 C ATOM 375 NE2 HIS A 49 -4.452 -7.450 -8.697 1.00 0.00 N ATOM 0 H HIS A 49 -1.513 -3.332 -8.119 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.302 -4.846 -9.592 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.845 -3.783 -10.726 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.956 -5.047 -11.553 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -5.612 -4.594 -9.185 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.533 -7.366 -9.740 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.332 -6.726 -7.986 1.00 0.00 H new ATOM 376 N ARG A 50 -0.505 -4.421 -11.983 1.00 0.00 N ATOM 377 CA ARG A 50 0.311 -4.093 -13.141 1.00 0.00 C ATOM 378 C ARG A 50 1.370 -3.143 -12.725 1.00 0.00 C ATOM 379 O ARG A 50 1.588 -2.111 -13.331 1.00 0.00 O ATOM 380 CB ARG A 50 -0.495 -3.622 -14.374 1.00 0.00 C ATOM 381 CG ARG A 50 -1.149 -4.769 -15.151 1.00 0.00 C ATOM 382 CD ARG A 50 -2.194 -5.508 -14.331 1.00 0.00 C ATOM 383 NE ARG A 50 -2.609 -6.767 -14.968 1.00 0.00 N ATOM 384 CZ ARG A 50 -3.833 -7.059 -15.414 1.00 0.00 C ATOM 385 NH1 ARG A 50 -4.798 -6.127 -15.421 1.00 0.00 N ATOM 386 NH2 ARG A 50 -4.078 -8.280 -15.881 1.00 0.00 N ATOM 0 H ARG A 50 -0.535 -5.420 -11.777 1.00 0.00 H new ATOM 0 HA ARG A 50 0.780 -5.010 -13.497 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.269 -2.927 -14.048 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.167 -3.072 -15.043 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.614 -4.373 -16.054 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.380 -5.472 -15.471 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.793 -5.719 -13.339 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.065 -4.868 -14.193 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.894 -7.485 -15.080 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.600 -5.185 -15.084 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.730 -6.360 -15.764 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.335 -8.979 -15.895 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.008 -8.517 -16.225 1.00 0.00 H new ATOM 387 N LEU A 51 2.016 -3.560 -11.657 1.00 0.00 N ATOM 388 CA LEU A 51 3.006 -2.804 -10.903 1.00 0.00 C ATOM 389 C LEU A 51 4.349 -2.853 -11.550 1.00 0.00 C ATOM 390 O LEU A 51 5.171 -3.638 -11.159 1.00 0.00 O ATOM 391 CB LEU A 51 3.179 -3.455 -9.553 1.00 0.00 C ATOM 392 CG LEU A 51 1.948 -3.972 -8.888 1.00 0.00 C ATOM 393 CD1 LEU A 51 2.294 -4.486 -7.513 1.00 0.00 C ATOM 394 CD2 LEU A 51 0.936 -2.902 -8.856 1.00 0.00 C ATOM 0 H LEU A 51 1.859 -4.489 -11.265 1.00 0.00 H new ATOM 0 HA LEU A 51 2.655 -1.774 -10.843 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.878 -4.284 -9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.646 -2.731 -8.885 1.00 0.00 H new ATOM 0 HG LEU A 51 1.528 -4.809 -9.445 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.394 -4.863 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.024 -5.291 -7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.714 -3.676 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.032 -3.271 -8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.325 -2.050 -8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.701 -2.593 -9.874 1.00 0.00 H new ATOM 395 N PRO A 52 4.675 -1.950 -12.402 1.00 0.00 N ATOM 396 CA PRO A 52 5.878 -2.068 -13.213 1.00 0.00 C ATOM 397 C PRO A 52 7.149 -1.824 -12.424 1.00 0.00 C ATOM 398 O PRO A 52 8.261 -1.956 -12.922 1.00 0.00 O ATOM 399 CB PRO A 52 5.645 -1.075 -14.302 1.00 0.00 C ATOM 400 CG PRO A 52 4.795 0.000 -13.687 1.00 0.00 C ATOM 401 CD PRO A 52 3.982 -0.667 -12.602 1.00 0.00 C ATOM 0 HA PRO A 52 6.038 -3.075 -13.599 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.587 -0.668 -14.671 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.142 -1.535 -15.152 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.414 0.796 -13.274 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.145 0.456 -14.434 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.965 -0.072 -11.689 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.946 -0.812 -12.907 1.00 0.00 H new ATOM 402 N ASN A 53 6.956 -1.501 -11.186 1.00 0.00 N ATOM 403 CA ASN A 53 8.039 -1.279 -10.267 1.00 0.00 C ATOM 404 C ASN A 53 8.294 -2.498 -9.455 1.00 0.00 C ATOM 405 O ASN A 53 9.407 -2.716 -8.990 1.00 0.00 O ATOM 406 CB ASN A 53 7.682 -0.205 -9.287 1.00 0.00 C ATOM 407 CG ASN A 53 6.201 -0.258 -8.906 1.00 0.00 C ATOM 408 OD1 ASN A 53 5.377 0.417 -9.504 1.00 0.00 O ATOM 409 ND2 ASN A 53 5.843 -1.120 -7.998 1.00 0.00 N ATOM 0 H ASN A 53 6.031 -1.381 -10.773 1.00 0.00 H new ATOM 0 HA ASN A 53 8.910 -1.006 -10.863 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.293 -0.312 -8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.913 0.770 -9.715 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.856 -1.243 -7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.550 -1.672 -7.512 1.00 0.00 H new ATOM 410 N ASN A 54 7.262 -3.308 -9.317 1.00 0.00 N ATOM 411 CA ASN A 54 7.225 -4.393 -8.369 1.00 0.00 C ATOM 412 C ASN A 54 8.010 -5.634 -8.756 1.00 0.00 C ATOM 413 O ASN A 54 7.542 -6.686 -9.095 1.00 0.00 O ATOM 414 CB ASN A 54 5.829 -4.559 -7.747 1.00 0.00 C ATOM 415 CG ASN A 54 5.420 -5.936 -7.354 1.00 0.00 C ATOM 416 OD1 ASN A 54 5.614 -6.367 -6.226 1.00 0.00 O ATOM 417 ND2 ASN A 54 4.800 -6.628 -8.284 1.00 0.00 N ATOM 0 H ASN A 54 6.412 -3.224 -9.874 1.00 0.00 H new ATOM 0 HA ASN A 54 7.839 -4.104 -7.516 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.776 -3.925 -6.862 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.095 -4.178 -8.457 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.458 -7.567 -8.078 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.661 -6.226 -9.211 1.00 0.00 H new ATOM 418 N LYS A 55 9.201 -5.360 -8.848 1.00 0.00 N ATOM 419 CA LYS A 55 10.251 -6.284 -9.032 1.00 0.00 C ATOM 420 C LYS A 55 11.258 -5.975 -7.917 1.00 0.00 C ATOM 421 O LYS A 55 12.131 -5.095 -8.089 1.00 0.00 O ATOM 422 CB LYS A 55 10.831 -6.062 -10.477 1.00 0.00 C ATOM 423 CG LYS A 55 11.988 -6.970 -10.971 1.00 0.00 C ATOM 424 CD LYS A 55 13.372 -6.681 -10.343 1.00 0.00 C ATOM 425 CE LYS A 55 14.002 -5.327 -10.782 1.00 0.00 C ATOM 426 NZ LYS A 55 13.239 -4.118 -10.332 1.00 0.00 N ATOM 0 H LYS A 55 9.536 -4.398 -8.796 1.00 0.00 H new ATOM 0 HA LYS A 55 9.956 -7.331 -8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.006 -6.167 -11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.174 -5.029 -10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.725 -8.008 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.070 -6.868 -12.053 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.275 -6.688 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.054 -7.489 -10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.018 -5.268 -10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.078 -5.310 -11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.906 -3.367 -10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.634 -3.781 -11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.647 -4.366 -9.514 1.00 0.00 H new ATOM 427 N GLN A 56 11.095 -6.591 -6.747 1.00 0.00 N ATOM 428 CA GLN A 56 11.981 -6.308 -5.643 1.00 0.00 C ATOM 429 C GLN A 56 12.007 -7.497 -4.707 1.00 0.00 C ATOM 430 O GLN A 56 10.984 -7.902 -4.166 1.00 0.00 O ATOM 431 CB GLN A 56 11.587 -4.991 -4.881 1.00 0.00 C ATOM 432 CG GLN A 56 10.227 -5.010 -4.162 1.00 0.00 C ATOM 433 CD GLN A 56 9.016 -4.948 -5.077 1.00 0.00 C ATOM 434 OE1 GLN A 56 9.047 -4.301 -6.100 1.00 0.00 O ATOM 435 NE2 GLN A 56 7.967 -5.667 -4.724 1.00 0.00 N ATOM 0 H GLN A 56 10.366 -7.277 -6.550 1.00 0.00 H new ATOM 0 HA GLN A 56 12.981 -6.138 -6.042 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.362 -4.775 -4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.587 -4.168 -5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.163 -5.917 -3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.186 -4.167 -3.472 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.982 -6.198 -3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.141 -5.692 -5.322 1.00 0.00 H new ATOM 436 N CYS A 57 13.169 -8.050 -4.506 1.00 0.00 N ATOM 437 CA CYS A 57 13.277 -9.230 -3.713 1.00 0.00 C ATOM 438 C CYS A 57 14.709 -9.496 -3.374 1.00 0.00 C ATOM 439 O CYS A 57 15.616 -9.061 -4.086 1.00 0.00 O ATOM 440 CB CYS A 57 12.726 -10.412 -4.503 1.00 0.00 C ATOM 441 SG CYS A 57 12.757 -12.005 -3.625 1.00 0.00 S ATOM 0 H CYS A 57 14.050 -7.700 -4.882 1.00 0.00 H new ATOM 0 HA CYS A 57 12.711 -9.094 -2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.697 -10.191 -4.788 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.298 -10.511 -5.425 1.00 0.00 H new ATOM 442 N ARG A 58 14.914 -10.104 -2.245 1.00 0.00 N ATOM 443 CA ARG A 58 16.214 -10.617 -1.886 1.00 0.00 C ATOM 444 C ARG A 58 16.220 -12.126 -2.046 1.00 0.00 C ATOM 445 O ARG A 58 15.283 -12.802 -1.636 1.00 0.00 O ATOM 446 CB ARG A 58 16.590 -10.264 -0.463 1.00 0.00 C ATOM 447 CG ARG A 58 16.738 -8.791 -0.207 1.00 0.00 C ATOM 448 CD ARG A 58 17.117 -8.555 1.224 1.00 0.00 C ATOM 449 NE ARG A 58 17.134 -7.123 1.569 1.00 0.00 N ATOM 450 CZ ARG A 58 16.349 -6.567 2.517 1.00 0.00 C ATOM 451 NH1 ARG A 58 15.449 -7.300 3.145 1.00 0.00 N ATOM 452 NH2 ARG A 58 16.455 -5.263 2.802 1.00 0.00 N ATOM 0 H ARG A 58 14.190 -10.261 -1.543 1.00 0.00 H new ATOM 0 HA ARG A 58 16.948 -10.158 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.831 -10.663 0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 58 17.528 -10.760 -0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.498 -8.373 -0.867 1.00 0.00 H new ATOM 0 HG3 ARG A 58 15.803 -8.278 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 58 16.413 -9.075 1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 58 18.101 -8.984 1.412 1.00 0.00 H new ATOM 0 HE ARG A 58 17.777 -6.515 1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 58 15.345 -8.288 2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.857 -6.878 3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.131 -4.685 2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.860 -4.848 3.519 1.00 0.00 H new ATOM 453 N CYS A 59 17.276 -12.634 -2.602 1.00 0.00 N ATOM 454 CA CYS A 59 17.436 -14.031 -2.835 1.00 0.00 C ATOM 455 C CYS A 59 18.282 -14.551 -1.704 1.00 0.00 C ATOM 456 O CYS A 59 19.488 -14.305 -1.646 1.00 0.00 O ATOM 457 CB CYS A 59 18.132 -14.283 -4.184 1.00 0.00 C ATOM 458 SG CYS A 59 17.313 -13.543 -5.650 1.00 0.00 S ATOM 0 H CYS A 59 18.069 -12.072 -2.913 1.00 0.00 H new ATOM 0 HA CYS A 59 16.470 -14.535 -2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 59 19.150 -13.897 -4.125 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.208 -15.359 -4.338 1.00 0.00 H new ATOM 459 N ILE A 60 17.656 -15.220 -0.800 1.00 0.00 N ATOM 460 CA ILE A 60 18.297 -15.652 0.423 1.00 0.00 C ATOM 461 C ILE A 60 19.056 -16.872 0.138 1.00 0.00 C ATOM 462 O ILE A 60 18.504 -17.764 -0.476 1.00 0.00 O ATOM 463 CB ILE A 60 17.262 -16.057 1.472 1.00 0.00 C ATOM 464 CG1 ILE A 60 16.092 -15.098 1.457 1.00 0.00 C ATOM 465 CG2 ILE A 60 17.908 -16.137 2.850 1.00 0.00 C ATOM 466 CD1 ILE A 60 16.425 -13.679 1.790 1.00 0.00 C ATOM 0 H ILE A 60 16.676 -15.492 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 60 18.915 -14.831 0.786 1.00 0.00 H new ATOM 0 HB ILE A 60 16.878 -17.048 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.635 -15.124 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 60 15.343 -15.454 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.159 -16.426 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.707 -16.878 2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 60 18.321 -15.164 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 60 15.519 -13.074 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 60 16.851 -13.631 2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 60 17.148 -13.296 1.069 1.00 0.00 H new ATOM 467 N ASN A 61 20.305 -16.924 0.566 1.00 0.00 N ATOM 468 CA ASN A 61 21.124 -18.121 0.402 1.00 0.00 C ATOM 469 C ASN A 61 21.248 -18.480 -1.053 1.00 0.00 C ATOM 470 O ASN A 61 21.237 -19.655 -1.398 1.00 0.00 O ATOM 471 CB ASN A 61 20.513 -19.313 1.178 1.00 0.00 C ATOM 472 CG ASN A 61 20.641 -19.201 2.681 1.00 0.00 C ATOM 473 OD1 ASN A 61 21.561 -18.587 3.191 1.00 0.00 O ATOM 474 ND2 ASN A 61 19.727 -19.811 3.402 1.00 0.00 N ATOM 0 H ASN A 61 20.779 -16.150 1.032 1.00 0.00 H new ATOM 0 HA ASN A 61 22.115 -17.907 0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 61 19.458 -19.399 0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 61 20.997 -20.233 0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.775 -19.779 4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.969 -20.317 2.943 1.00 0.00 H new ATOM 475 N ALA A 62 21.319 -17.462 -1.912 1.00 0.00 N ATOM 476 CA ALA A 62 21.496 -17.700 -3.313 1.00 0.00 C ATOM 477 C ALA A 62 22.804 -18.421 -3.541 1.00 0.00 C ATOM 478 O ALA A 62 23.865 -17.968 -3.119 1.00 0.00 O ATOM 479 CB ALA A 62 21.419 -16.434 -4.105 1.00 0.00 C ATOM 0 H ALA A 62 21.255 -16.479 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 62 20.681 -18.332 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 62 21.558 -16.657 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 62 20.443 -15.971 -3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.199 -15.749 -3.773 1.00 0.00 H new ATOM 480 N ARG A 63 22.703 -19.537 -4.175 1.00 0.00 N ATOM 481 CA ARG A 63 23.800 -20.447 -4.329 1.00 0.00 C ATOM 482 C ARG A 63 24.441 -20.307 -5.681 1.00 0.00 C ATOM 483 O ARG A 63 25.572 -20.738 -5.894 1.00 0.00 O ATOM 484 CB ARG A 63 23.266 -21.853 -4.120 1.00 0.00 C ATOM 485 CG ARG A 63 22.671 -22.021 -2.733 1.00 0.00 C ATOM 486 CD ARG A 63 21.854 -23.293 -2.567 1.00 0.00 C ATOM 487 NE ARG A 63 21.224 -23.374 -1.215 1.00 0.00 N ATOM 488 CZ ARG A 63 19.886 -23.247 -0.959 1.00 0.00 C ATOM 489 NH1 ARG A 63 19.051 -22.900 -1.936 1.00 0.00 N ATOM 490 NH2 ARG A 63 19.414 -23.419 0.299 1.00 0.00 N ATOM 0 H ARG A 63 21.839 -19.856 -4.613 1.00 0.00 H new ATOM 0 HA ARG A 63 24.574 -20.225 -3.595 1.00 0.00 H new ATOM 0 HB2 ARG A 63 22.507 -22.071 -4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 63 24.071 -22.574 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 63 23.477 -22.019 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 63 22.038 -21.162 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 63 21.079 -23.330 -3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 63 22.496 -24.160 -2.722 1.00 0.00 H new ATOM 0 HE ARG A 63 21.841 -23.537 -0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.409 -22.729 -2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 63 18.054 -22.805 -1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 63 20.057 -23.644 1.059 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.416 -23.324 0.487 1.00 0.00 H new ATOM 491 N THR A 64 23.721 -19.731 -6.598 1.00 0.00 N ATOM 492 CA THR A 64 24.248 -19.549 -7.930 1.00 0.00 C ATOM 493 C THR A 64 24.066 -18.135 -8.430 1.00 0.00 C ATOM 494 O THR A 64 23.406 -17.306 -7.811 1.00 0.00 O ATOM 495 CB THR A 64 23.643 -20.537 -8.986 1.00 0.00 C ATOM 496 OG1 THR A 64 22.246 -20.306 -9.177 1.00 0.00 O ATOM 497 CG2 THR A 64 23.813 -21.952 -8.552 1.00 0.00 C ATOM 0 H THR A 64 22.774 -19.380 -6.456 1.00 0.00 H new ATOM 0 HA THR A 64 25.311 -19.768 -7.830 1.00 0.00 H new ATOM 0 HB THR A 64 24.179 -20.360 -9.919 1.00 0.00 H new ATOM 0 HG1 THR A 64 22.101 -19.879 -10.047 1.00 0.00 H new ATOM 0 HG21 THR A 64 23.385 -22.617 -9.302 1.00 0.00 H new ATOM 0 HG22 THR A 64 24.874 -22.172 -8.436 1.00 0.00 H new ATOM 0 HG23 THR A 64 23.305 -22.104 -7.600 1.00 0.00 H new ATOM 498 N ALA A 65 24.644 -17.901 -9.571 1.00 0.00 N ATOM 499 CA ALA A 65 24.553 -16.651 -10.290 1.00 0.00 C ATOM 500 C ALA A 65 23.367 -16.729 -11.243 1.00 0.00 C ATOM 501 O ALA A 65 22.693 -17.772 -11.282 1.00 0.00 O ATOM 502 CB ALA A 65 25.843 -16.389 -11.058 1.00 0.00 C ATOM 0 H ALA A 65 25.215 -18.598 -10.050 1.00 0.00 H new ATOM 0 HA ALA A 65 24.408 -15.827 -9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 65 25.761 -15.444 -11.595 1.00 0.00 H new ATOM 0 HB2 ALA A 65 26.678 -16.338 -10.360 1.00 0.00 H new ATOM 0 HB3 ALA A 65 26.014 -17.197 -11.769 1.00 0.00 H new ATOM 503 N LYS A 66 23.042 -15.594 -11.910 1.00 0.00 N ATOM 504 CA LYS A 66 22.015 -15.512 -12.922 1.00 0.00 C ATOM 505 C LYS A 66 22.189 -16.690 -13.859 1.00 0.00 C ATOM 506 O LYS A 66 23.222 -16.858 -14.500 1.00 0.00 O ATOM 507 CB LYS A 66 22.206 -14.227 -13.710 1.00 0.00 C ATOM 508 CG LYS A 66 20.948 -13.587 -14.302 1.00 0.00 C ATOM 509 CD LYS A 66 20.304 -14.447 -15.366 1.00 0.00 C ATOM 510 CE LYS A 66 18.857 -14.672 -15.040 1.00 0.00 C ATOM 511 NZ LYS A 66 18.061 -13.420 -15.092 1.00 0.00 N ATOM 0 H LYS A 66 23.509 -14.704 -11.740 1.00 0.00 H new ATOM 0 HA LYS A 66 21.024 -15.524 -12.468 1.00 0.00 H new ATOM 0 HB2 LYS A 66 22.684 -13.496 -13.058 1.00 0.00 H new ATOM 0 HB3 LYS A 66 22.901 -14.429 -14.526 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.229 -13.403 -13.504 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.205 -12.618 -14.730 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.395 -13.964 -16.339 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.822 -15.403 -15.435 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.438 -15.394 -15.741 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.776 -15.109 -14.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.048 -13.654 -15.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.253 -12.851 -14.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.323 -12.877 -15.939 1.00 0.00 H new ATOM 512 N ASP A 67 21.184 -17.443 -13.927 1.00 0.00 N ATOM 513 CA ASP A 67 21.202 -18.699 -14.646 1.00 0.00 C ATOM 514 C ASP A 67 20.069 -18.738 -15.654 1.00 0.00 C ATOM 515 O ASP A 67 19.055 -18.066 -15.473 1.00 0.00 O ATOM 516 CB ASP A 67 21.144 -19.857 -13.651 1.00 0.00 C ATOM 517 CG ASP A 67 21.228 -21.218 -14.280 1.00 0.00 C ATOM 518 OD1 ASP A 67 21.917 -21.378 -15.327 1.00 0.00 O ATOM 519 OD2 ASP A 67 20.588 -22.146 -13.741 1.00 0.00 O ATOM 0 H ASP A 67 20.289 -17.230 -13.486 1.00 0.00 H new ATOM 0 HA ASP A 67 22.130 -18.797 -15.209 1.00 0.00 H new ATOM 0 HB2 ASP A 67 21.961 -19.749 -12.937 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.215 -19.788 -13.085 1.00 0.00 H new ATOM 520 N ASN A 68 20.269 -19.485 -16.712 1.00 0.00 N ATOM 521 CA ASN A 68 19.368 -19.500 -17.877 1.00 0.00 C ATOM 522 C ASN A 68 18.650 -20.835 -18.111 1.00 0.00 C ATOM 523 O ASN A 68 17.929 -20.970 -19.094 1.00 0.00 O ATOM 524 CB ASN A 68 20.141 -19.106 -19.155 1.00 0.00 C ATOM 525 CG ASN A 68 21.366 -19.989 -19.418 1.00 0.00 C ATOM 526 OD1 ASN A 68 21.286 -21.034 -20.051 1.00 0.00 O ATOM 527 ND2 ASN A 68 22.516 -19.559 -18.939 1.00 0.00 N ATOM 0 H ASN A 68 21.067 -20.113 -16.806 1.00 0.00 H new ATOM 0 HA ASN A 68 18.591 -18.770 -17.649 1.00 0.00 H new ATOM 0 HB2 ASN A 68 19.469 -19.165 -20.011 1.00 0.00 H new ATOM 0 HB3 ASN A 68 20.461 -18.067 -19.072 1.00 0.00 H new ATOM 0 HD21 ASN A 68 23.367 -20.100 -19.092 1.00 0.00 H new ATOM 0 HD22 ASN A 68 22.555 -18.685 -18.415 1.00 0.00 H new ATOM 528 N ARG A 69 18.816 -21.805 -17.221 1.00 0.00 N ATOM 529 CA ARG A 69 18.318 -23.183 -17.494 1.00 0.00 C ATOM 530 C ARG A 69 16.800 -23.301 -17.391 1.00 0.00 C ATOM 531 O ARG A 69 16.220 -24.301 -17.797 1.00 0.00 O ATOM 532 CB ARG A 69 18.947 -24.199 -16.537 1.00 0.00 C ATOM 533 CG ARG A 69 20.415 -23.978 -16.270 1.00 0.00 C ATOM 534 CD ARG A 69 21.245 -23.858 -17.530 1.00 0.00 C ATOM 535 NE ARG A 69 22.495 -23.166 -17.224 1.00 0.00 N ATOM 536 CZ ARG A 69 23.602 -23.175 -17.950 1.00 0.00 C ATOM 537 NH1 ARG A 69 23.649 -23.853 -19.104 1.00 0.00 N ATOM 538 NH2 ARG A 69 24.660 -22.476 -17.536 1.00 0.00 N ATOM 0 H ARG A 69 19.278 -21.687 -16.319 1.00 0.00 H new ATOM 0 HA ARG A 69 18.611 -23.398 -18.522 1.00 0.00 H new ATOM 0 HB2 ARG A 69 18.409 -24.168 -15.589 1.00 0.00 H new ATOM 0 HB3 ARG A 69 18.812 -25.199 -16.948 1.00 0.00 H new ATOM 0 HG2 ARG A 69 20.536 -23.072 -15.677 1.00 0.00 H new ATOM 0 HG3 ARG A 69 20.796 -24.805 -15.671 1.00 0.00 H new ATOM 0 HD2 ARG A 69 21.454 -24.848 -17.936 1.00 0.00 H new ATOM 0 HD3 ARG A 69 20.691 -23.311 -18.293 1.00 0.00 H new ATOM 0 HE ARG A 69 22.517 -22.620 -16.363 1.00 0.00 H new ATOM 0 HH11 ARG A 69 22.829 -24.366 -19.428 1.00 0.00 H new ATOM 0 HH12 ARG A 69 24.505 -23.856 -19.659 1.00 0.00 H new ATOM 0 HH21 ARG A 69 24.611 -21.942 -16.668 1.00 0.00 H new ATOM 0 HH22 ARG A 69 25.518 -22.475 -18.087 1.00 0.00 H new ATOM 539 N ASN A 70 16.171 -22.308 -16.852 1.00 0.00 N ATOM 540 CA ASN A 70 14.743 -22.359 -16.643 1.00 0.00 C ATOM 541 C ASN A 70 14.088 -21.250 -17.424 1.00 0.00 C ATOM 542 O ASN A 70 14.562 -20.122 -17.380 1.00 0.00 O ATOM 543 CB ASN A 70 14.435 -22.194 -15.142 1.00 0.00 C ATOM 544 CG ASN A 70 12.980 -22.478 -14.746 1.00 0.00 C ATOM 545 OD1 ASN A 70 12.031 -22.216 -15.485 1.00 0.00 O ATOM 546 ND2 ASN A 70 12.792 -23.027 -13.579 1.00 0.00 N ATOM 0 H ASN A 70 16.617 -21.444 -16.544 1.00 0.00 H new ATOM 0 HA ASN A 70 14.356 -23.320 -16.983 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.087 -22.860 -14.577 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.685 -21.176 -14.844 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.847 -23.247 -13.265 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.590 -23.237 -12.980 1.00 0.00 H new ATOM 547 N PRO A 71 13.007 -21.552 -18.179 1.00 0.00 N ATOM 548 CA PRO A 71 12.209 -20.537 -18.885 1.00 0.00 C ATOM 549 C PRO A 71 11.775 -19.377 -17.968 1.00 0.00 C ATOM 550 O PRO A 71 11.678 -18.230 -18.402 1.00 0.00 O ATOM 551 CB PRO A 71 10.985 -21.323 -19.355 1.00 0.00 C ATOM 552 CG PRO A 71 11.484 -22.710 -19.539 1.00 0.00 C ATOM 553 CD PRO A 71 12.520 -22.924 -18.470 1.00 0.00 C ATOM 0 HA PRO A 71 12.774 -20.065 -19.688 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.182 -21.284 -18.619 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.586 -20.918 -20.285 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.673 -23.432 -19.446 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.915 -22.841 -20.532 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.092 -23.394 -17.585 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.326 -23.571 -18.816 1.00 0.00 H new ATOM 554 N THR A 72 11.556 -19.667 -16.690 1.00 0.00 N ATOM 555 CA THR A 72 11.165 -18.632 -15.754 1.00 0.00 C ATOM 556 C THR A 72 12.359 -17.760 -15.335 1.00 0.00 C ATOM 557 O THR A 72 12.184 -16.712 -14.707 1.00 0.00 O ATOM 558 CB THR A 72 10.399 -19.181 -14.523 1.00 0.00 C ATOM 559 OG1 THR A 72 11.141 -20.220 -13.891 1.00 0.00 O ATOM 560 CG2 THR A 72 9.030 -19.706 -14.928 1.00 0.00 C ATOM 0 H THR A 72 11.642 -20.600 -16.287 1.00 0.00 H new ATOM 0 HA THR A 72 10.462 -17.995 -16.290 1.00 0.00 H new ATOM 0 HB THR A 72 10.268 -18.359 -13.819 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.285 -20.952 -14.526 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.511 -20.086 -14.048 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.448 -18.899 -15.372 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.149 -20.510 -15.654 1.00 0.00 H new ATOM 561 N CYS A 73 13.559 -18.184 -15.711 1.00 0.00 N ATOM 562 CA CYS A 73 14.759 -17.393 -15.492 1.00 0.00 C ATOM 563 C CYS A 73 15.062 -16.515 -16.676 1.00 0.00 C ATOM 564 O CYS A 73 16.056 -15.772 -16.656 1.00 0.00 O ATOM 565 CB CYS A 73 15.969 -18.270 -15.242 1.00 0.00 C ATOM 566 SG CYS A 73 15.923 -19.169 -13.696 1.00 0.00 S ATOM 0 H CYS A 73 13.725 -19.078 -16.172 1.00 0.00 H new ATOM 0 HA CYS A 73 14.560 -16.779 -14.613 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.061 -18.984 -16.061 1.00 0.00 H new ATOM 0 HB3 CYS A 73 16.864 -17.648 -15.260 1.00 0.00 H new ATOM 567 N TRP A 74 14.253 -16.603 -17.730 1.00 0.00 N ATOM 568 CA TRP A 74 14.506 -15.780 -18.883 1.00 0.00 C ATOM 569 C TRP A 74 13.971 -14.385 -18.635 1.00 0.00 C ATOM 570 O TRP A 74 12.771 -14.095 -18.831 1.00 0.00 O ATOM 571 CB TRP A 74 13.959 -16.405 -20.177 1.00 0.00 C ATOM 572 CG TRP A 74 14.547 -17.766 -20.478 1.00 0.00 C ATOM 573 CD1 TRP A 74 15.740 -18.268 -20.028 1.00 0.00 C ATOM 574 CD2 TRP A 74 13.983 -18.783 -21.316 1.00 0.00 C ATOM 575 NE1 TRP A 74 15.927 -19.539 -20.499 1.00 0.00 N ATOM 576 CE2 TRP A 74 14.873 -19.878 -21.301 1.00 0.00 C ATOM 577 CE3 TRP A 74 12.808 -18.881 -22.069 1.00 0.00 C ATOM 578 CZ2 TRP A 74 14.624 -21.052 -22.008 1.00 0.00 C ATOM 579 CZ3 TRP A 74 12.565 -20.046 -22.773 1.00 0.00 C ATOM 580 CH2 TRP A 74 13.469 -21.117 -22.738 1.00 0.00 C ATOM 0 H TRP A 74 13.444 -17.220 -17.799 1.00 0.00 H new ATOM 0 HA TRP A 74 15.583 -15.710 -19.033 1.00 0.00 H new ATOM 0 HB2 TRP A 74 12.875 -16.494 -20.100 1.00 0.00 H new ATOM 0 HB3 TRP A 74 14.165 -15.735 -21.012 1.00 0.00 H new ATOM 0 HD1 TRP A 74 16.433 -17.737 -19.393 1.00 0.00 H new ATOM 0 HE1 TRP A 74 16.725 -20.138 -20.286 1.00 0.00 H new ATOM 0 HE3 TRP A 74 12.104 -18.062 -22.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 15.317 -21.880 -21.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.663 -20.132 -23.360 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.249 -22.013 -23.300 1.00 0.00 H new ATOM 581 N ALA A 75 14.869 -13.610 -18.082 1.00 0.00 N ATOM 582 CA ALA A 75 14.787 -12.234 -17.685 1.00 0.00 C ATOM 583 C ALA A 75 15.923 -12.110 -16.700 1.00 0.00 C ATOM 584 O ALA A 75 17.079 -11.938 -17.121 1.00 0.00 O ATOM 585 CB ALA A 75 13.478 -11.907 -16.971 1.00 0.00 C ATOM 0 H ALA A 75 15.795 -13.983 -17.874 1.00 0.00 H new ATOM 0 HA ALA A 75 14.835 -11.561 -18.541 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.469 -10.853 -16.693 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.639 -12.114 -17.636 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.390 -12.520 -16.074 1.00 0.00 H new TER 586 ALA A 75