USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 724 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 48 THR OG1 : rot -150:sc= 0.00597 USER MOD Set 1.2: A 49 ASN : amide:sc= 0.0257 K(o=0.032,f=1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0193 (180deg=-0.0556) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -112:sc= 1.1 (180deg=0.702) USER MOD Single : A 10 GLN : amide:sc= -3.37 K(o=-3.4,f=-1.4) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= 0.424 (180deg=-0.732) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -2.89! K(o=-2.9!,f=-1.1) USER MOD Single : A 23 SER OG : rot 140:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.05) USER MOD Single : A 26 SER OG : rot -130:sc= -1.41! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.000345 X(o=-0.00034,f=-0.14) USER MOD Single : A 34 GLN : amide:sc= -0.612 K(o=-0.61,f=-0.062) USER MOD Single : A 35 LYS NZ :NH3+ -115:sc= -0.11 (180deg=-0.992) USER MOD Single : A 36 GLN : amide:sc= -0.118 K(o=-0.12,f=0.46) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 150:sc= -1.18 (180deg=-2.49!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.141 K(o=0.14,f=-0.69) USER MOD Single : A 55 TYR OH : rot 180:sc= 0.0145 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 62 GLN : amide:sc= -0.75 K(o=-0.75,f=-4.8!) USER MOD Single : A 64 ASN : amide:sc= -0.0144 K(o=-0.014,f=-1.6!) USER MOD Single : A 65 THR OG1 : rot -17:sc= 0.983 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 143:sc= -0.0388 (180deg=-1.05) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.118 USER MOD Single : A 80 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.68) USER MOD Single : A 81 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=-0.004) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0038 X(o=-0.0038,f=-0.0059) USER MOD Single : A 85 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.078 1.493 0.972 1.00 41.10 N ATOM 2 CA MET A 1 -19.540 0.080 0.998 1.00 20.10 C ATOM 3 C MET A 1 -20.141 -0.268 2.384 1.00 32.22 C ATOM 4 O MET A 1 -19.693 0.285 3.395 1.00 2.53 O ATOM 5 CB MET A 1 -18.358 -0.869 0.657 1.00 61.45 C ATOM 6 CG MET A 1 -17.812 -0.731 -0.775 1.00 71.53 C ATOM 7 SD MET A 1 -19.020 -1.182 -2.041 1.00 4.15 S ATOM 8 CE MET A 1 -18.036 -1.070 -3.542 1.00 62.43 C ATOM 0 H1 MET A 1 -19.603 2.016 0.242 1.00 41.10 H new ATOM 0 H2 MET A 1 -19.247 1.930 1.900 1.00 41.10 H new ATOM 0 H3 MET A 1 -18.061 1.522 0.755 1.00 41.10 H new ATOM 0 HA MET A 1 -20.320 -0.051 0.248 1.00 20.10 H new ATOM 0 HB2 MET A 1 -17.546 -0.682 1.360 1.00 61.45 H new ATOM 0 HB3 MET A 1 -18.681 -1.899 0.810 1.00 61.45 H new ATOM 0 HG2 MET A 1 -17.491 0.298 -0.938 1.00 71.53 H new ATOM 0 HG3 MET A 1 -16.929 -1.361 -0.883 1.00 71.53 H new ATOM 0 HE1 MET A 1 -18.655 -1.323 -4.403 1.00 62.43 H new ATOM 0 HE2 MET A 1 -17.657 -0.054 -3.653 1.00 62.43 H new ATOM 0 HE3 MET A 1 -17.199 -1.765 -3.481 1.00 62.43 H new ATOM 20 N PRO A 2 -21.175 -1.184 2.448 1.00 43.24 N ATOM 21 CA PRO A 2 -21.764 -1.664 3.732 1.00 11.33 C ATOM 22 C PRO A 2 -20.715 -2.284 4.675 1.00 60.21 C ATOM 23 O PRO A 2 -20.762 -2.089 5.898 1.00 21.45 O ATOM 24 CB PRO A 2 -22.802 -2.726 3.279 1.00 0.04 C ATOM 25 CG PRO A 2 -23.152 -2.338 1.872 1.00 31.40 C ATOM 26 CD PRO A 2 -21.873 -1.794 1.279 1.00 5.53 C ATOM 0 HA PRO A 2 -22.199 -0.848 4.309 1.00 11.33 H new ATOM 0 HB2 PRO A 2 -22.384 -3.732 3.320 1.00 0.04 H new ATOM 0 HB3 PRO A 2 -23.682 -2.720 3.922 1.00 0.04 H new ATOM 0 HG2 PRO A 2 -23.514 -3.196 1.306 1.00 31.40 H new ATOM 0 HG3 PRO A 2 -23.943 -1.588 1.856 1.00 31.40 H new ATOM 0 HD2 PRO A 2 -21.275 -2.583 0.823 1.00 5.53 H new ATOM 0 HD3 PRO A 2 -22.073 -1.056 0.502 1.00 5.53 H new ATOM 34 N SER A 3 -19.776 -3.030 4.080 1.00 35.34 N ATOM 35 CA SER A 3 -18.672 -3.649 4.805 1.00 42.02 C ATOM 36 C SER A 3 -17.535 -2.622 4.978 1.00 61.35 C ATOM 37 O SER A 3 -16.825 -2.292 4.020 1.00 51.25 O ATOM 38 CB SER A 3 -18.206 -4.903 4.052 1.00 70.11 C ATOM 39 OG SER A 3 -19.288 -5.801 3.855 1.00 44.35 O ATOM 0 H SER A 3 -19.765 -3.219 3.078 1.00 35.34 H new ATOM 0 HA SER A 3 -18.995 -3.960 5.799 1.00 42.02 H new ATOM 0 HB2 SER A 3 -17.783 -4.619 3.089 1.00 70.11 H new ATOM 0 HB3 SER A 3 -17.414 -5.398 4.614 1.00 70.11 H new ATOM 0 HG SER A 3 -18.972 -6.593 3.372 1.00 44.35 H new ATOM 45 N GLU A 4 -17.419 -2.105 6.205 1.00 62.15 N ATOM 46 CA GLU A 4 -16.481 -1.028 6.561 1.00 51.53 C ATOM 47 C GLU A 4 -15.055 -1.583 6.737 1.00 23.22 C ATOM 48 O GLU A 4 -14.085 -0.920 6.352 1.00 20.11 O ATOM 49 CB GLU A 4 -17.001 -0.304 7.848 1.00 32.10 C ATOM 50 CG GLU A 4 -16.200 0.953 8.315 1.00 71.24 C ATOM 51 CD GLU A 4 -15.276 0.694 9.522 1.00 13.54 C ATOM 52 OE1 GLU A 4 -15.683 0.966 10.675 1.00 1.13 O ATOM 53 OE2 GLU A 4 -14.146 0.211 9.328 1.00 44.05 O ATOM 0 H GLU A 4 -17.981 -2.426 6.993 1.00 62.15 H new ATOM 0 HA GLU A 4 -16.430 -0.297 5.754 1.00 51.53 H new ATOM 0 HB2 GLU A 4 -18.035 -0.005 7.676 1.00 32.10 H new ATOM 0 HB3 GLU A 4 -17.009 -1.026 8.665 1.00 32.10 H new ATOM 0 HG2 GLU A 4 -15.599 1.319 7.482 1.00 71.24 H new ATOM 0 HG3 GLU A 4 -16.904 1.745 8.572 1.00 71.24 H new ATOM 60 N GLU A 5 -14.938 -2.813 7.296 1.00 13.13 N ATOM 61 CA GLU A 5 -13.626 -3.478 7.502 1.00 34.23 C ATOM 62 C GLU A 5 -12.988 -3.832 6.142 1.00 34.15 C ATOM 63 O GLU A 5 -11.762 -3.766 5.977 1.00 22.14 O ATOM 64 CB GLU A 5 -13.756 -4.782 8.355 1.00 60.44 C ATOM 65 CG GLU A 5 -14.712 -4.713 9.567 1.00 34.24 C ATOM 66 CD GLU A 5 -14.483 -3.505 10.480 1.00 52.51 C ATOM 67 OE1 GLU A 5 -13.456 -3.477 11.203 1.00 14.25 O ATOM 68 OE2 GLU A 5 -15.327 -2.586 10.495 1.00 54.21 O ATOM 0 H GLU A 5 -15.736 -3.365 7.612 1.00 13.13 H new ATOM 0 HA GLU A 5 -12.994 -2.775 8.044 1.00 34.23 H new ATOM 0 HB2 GLU A 5 -14.090 -5.587 7.701 1.00 60.44 H new ATOM 0 HB3 GLU A 5 -12.765 -5.055 8.716 1.00 60.44 H new ATOM 0 HG2 GLU A 5 -15.740 -4.690 9.204 1.00 34.24 H new ATOM 0 HG3 GLU A 5 -14.602 -5.624 10.155 1.00 34.24 H new ATOM 75 N GLU A 6 -13.869 -4.204 5.188 1.00 1.35 N ATOM 76 CA GLU A 6 -13.510 -4.625 3.824 1.00 13.34 C ATOM 77 C GLU A 6 -12.582 -3.611 3.141 1.00 5.21 C ATOM 78 O GLU A 6 -11.611 -4.000 2.510 1.00 65.14 O ATOM 79 CB GLU A 6 -14.806 -4.783 2.994 1.00 2.03 C ATOM 80 CG GLU A 6 -14.613 -5.296 1.557 1.00 0.30 C ATOM 81 CD GLU A 6 -15.881 -5.157 0.702 1.00 14.55 C ATOM 82 OE1 GLU A 6 -16.041 -4.116 0.024 1.00 31.23 O ATOM 83 OE2 GLU A 6 -16.737 -6.076 0.708 1.00 23.55 O ATOM 0 H GLU A 6 -14.875 -4.219 5.354 1.00 1.35 H new ATOM 0 HA GLU A 6 -12.975 -5.573 3.885 1.00 13.34 H new ATOM 0 HB2 GLU A 6 -15.472 -5.468 3.519 1.00 2.03 H new ATOM 0 HB3 GLU A 6 -15.310 -3.817 2.952 1.00 2.03 H new ATOM 0 HG2 GLU A 6 -13.800 -4.745 1.085 1.00 0.30 H new ATOM 0 HG3 GLU A 6 -14.313 -6.343 1.587 1.00 0.30 H new ATOM 90 N GLU A 7 -12.891 -2.311 3.326 1.00 55.52 N ATOM 91 CA GLU A 7 -12.173 -1.193 2.684 1.00 61.22 C ATOM 92 C GLU A 7 -10.668 -1.211 3.014 1.00 62.52 C ATOM 93 O GLU A 7 -9.841 -1.049 2.132 1.00 72.43 O ATOM 94 CB GLU A 7 -12.814 0.156 3.111 1.00 53.23 C ATOM 95 CG GLU A 7 -14.324 0.257 2.819 1.00 15.20 C ATOM 96 CD GLU A 7 -14.678 0.038 1.332 1.00 70.22 C ATOM 97 OE1 GLU A 7 -14.936 -1.116 0.927 1.00 21.14 O ATOM 98 OE2 GLU A 7 -14.682 1.022 0.555 1.00 12.03 O ATOM 0 H GLU A 7 -13.653 -2.006 3.931 1.00 55.52 H new ATOM 0 HA GLU A 7 -12.264 -1.309 1.604 1.00 61.22 H new ATOM 0 HB2 GLU A 7 -12.651 0.301 4.179 1.00 53.23 H new ATOM 0 HB3 GLU A 7 -12.301 0.969 2.597 1.00 53.23 H new ATOM 0 HG2 GLU A 7 -14.853 -0.480 3.423 1.00 15.20 H new ATOM 0 HG3 GLU A 7 -14.681 1.239 3.129 1.00 15.20 H new ATOM 105 N LYS A 8 -10.347 -1.467 4.294 1.00 1.33 N ATOM 106 CA LYS A 8 -8.954 -1.507 4.788 1.00 0.42 C ATOM 107 C LYS A 8 -8.249 -2.735 4.189 1.00 51.10 C ATOM 108 O LYS A 8 -7.171 -2.624 3.612 1.00 3.00 O ATOM 109 CB LYS A 8 -8.904 -1.556 6.352 1.00 64.21 C ATOM 110 CG LYS A 8 -9.426 -0.283 7.085 1.00 34.12 C ATOM 111 CD LYS A 8 -10.953 -0.053 6.924 1.00 74.12 C ATOM 112 CE LYS A 8 -11.431 1.274 7.521 1.00 21.05 C ATOM 113 NZ LYS A 8 -12.855 1.542 7.179 1.00 31.03 N ATOM 0 H LYS A 8 -11.043 -1.652 5.017 1.00 1.33 H new ATOM 0 HA LYS A 8 -8.442 -0.597 4.476 1.00 0.42 H new ATOM 0 HB2 LYS A 8 -9.488 -2.412 6.689 1.00 64.21 H new ATOM 0 HB3 LYS A 8 -7.873 -1.733 6.659 1.00 64.21 H new ATOM 0 HG2 LYS A 8 -9.189 -0.363 8.146 1.00 34.12 H new ATOM 0 HG3 LYS A 8 -8.894 0.589 6.704 1.00 34.12 H new ATOM 0 HD2 LYS A 8 -11.208 -0.080 5.865 1.00 74.12 H new ATOM 0 HD3 LYS A 8 -11.489 -0.873 7.402 1.00 74.12 H new ATOM 0 HE2 LYS A 8 -11.314 1.250 8.604 1.00 21.05 H new ATOM 0 HE3 LYS A 8 -10.807 2.087 7.150 1.00 21.05 H new ATOM 0 HZ1 LYS A 8 -12.910 2.354 6.532 1.00 31.03 H new ATOM 0 HZ2 LYS A 8 -13.265 0.704 6.719 1.00 31.03 H new ATOM 0 HZ3 LYS A 8 -13.386 1.755 8.047 1.00 31.03 H new ATOM 127 N ARG A 9 -8.944 -3.883 4.288 1.00 31.02 N ATOM 128 CA ARG A 9 -8.460 -5.203 3.827 1.00 41.03 C ATOM 129 C ARG A 9 -8.137 -5.209 2.315 1.00 0.30 C ATOM 130 O ARG A 9 -7.199 -5.880 1.883 1.00 0.02 O ATOM 131 CB ARG A 9 -9.529 -6.276 4.161 1.00 42.34 C ATOM 132 CG ARG A 9 -9.780 -6.474 5.675 1.00 12.53 C ATOM 133 CD ARG A 9 -11.050 -7.289 5.975 1.00 61.25 C ATOM 134 NE ARG A 9 -11.066 -8.603 5.307 1.00 22.51 N ATOM 135 CZ ARG A 9 -11.999 -9.559 5.502 1.00 42.31 C ATOM 136 NH1 ARG A 9 -13.002 -9.382 6.353 1.00 34.44 N ATOM 137 NH2 ARG A 9 -11.937 -10.682 4.803 1.00 5.45 N ATOM 0 H ARG A 9 -9.877 -3.923 4.699 1.00 31.02 H new ATOM 0 HA ARG A 9 -7.529 -5.429 4.347 1.00 41.03 H new ATOM 0 HB2 ARG A 9 -10.468 -5.998 3.682 1.00 42.34 H new ATOM 0 HB3 ARG A 9 -9.220 -7.227 3.728 1.00 42.34 H new ATOM 0 HG2 ARG A 9 -8.920 -6.977 6.117 1.00 12.53 H new ATOM 0 HG3 ARG A 9 -9.860 -5.498 6.155 1.00 12.53 H new ATOM 0 HD2 ARG A 9 -11.135 -7.435 7.052 1.00 61.25 H new ATOM 0 HD3 ARG A 9 -11.924 -6.718 5.661 1.00 61.25 H new ATOM 0 HE ARG A 9 -10.315 -8.805 4.647 1.00 22.51 H new ATOM 0 HH11 ARG A 9 -13.079 -8.510 6.876 1.00 34.44 H new ATOM 0 HH12 ARG A 9 -13.695 -10.118 6.484 1.00 34.44 H new ATOM 0 HH21 ARG A 9 -11.189 -10.819 4.124 1.00 5.45 H new ATOM 0 HH22 ARG A 9 -12.638 -11.410 4.944 1.00 5.45 H new ATOM 151 N GLN A 10 -8.929 -4.439 1.538 1.00 44.12 N ATOM 152 CA GLN A 10 -8.750 -4.292 0.080 1.00 31.43 C ATOM 153 C GLN A 10 -7.492 -3.472 -0.235 1.00 41.24 C ATOM 154 O GLN A 10 -6.629 -3.935 -0.964 1.00 43.53 O ATOM 155 CB GLN A 10 -9.993 -3.627 -0.573 1.00 20.25 C ATOM 156 CG GLN A 10 -11.252 -4.500 -0.602 1.00 10.14 C ATOM 157 CD GLN A 10 -12.455 -3.751 -1.174 1.00 2.24 C ATOM 158 OE1 GLN A 10 -12.719 -3.789 -2.379 1.00 72.22 O ATOM 159 NE2 GLN A 10 -13.149 -3.008 -0.328 1.00 51.35 N ATOM 0 H GLN A 10 -9.713 -3.901 1.907 1.00 44.12 H new ATOM 0 HA GLN A 10 -8.633 -5.291 -0.339 1.00 31.43 H new ATOM 0 HB2 GLN A 10 -10.219 -2.707 -0.035 1.00 20.25 H new ATOM 0 HB3 GLN A 10 -9.741 -3.345 -1.595 1.00 20.25 H new ATOM 0 HG2 GLN A 10 -11.062 -5.391 -1.200 1.00 10.14 H new ATOM 0 HG3 GLN A 10 -11.482 -4.838 0.408 1.00 10.14 H new ATOM 0 HE21 GLN A 10 -12.904 -2.999 0.662 1.00 51.35 H new ATOM 0 HE22 GLN A 10 -13.929 -2.444 -0.666 1.00 51.35 H new ATOM 168 N VAL A 11 -7.399 -2.266 0.361 1.00 54.53 N ATOM 169 CA VAL A 11 -6.331 -1.287 0.052 1.00 1.23 C ATOM 170 C VAL A 11 -4.940 -1.829 0.423 1.00 63.21 C ATOM 171 O VAL A 11 -3.999 -1.704 -0.360 1.00 14.14 O ATOM 172 CB VAL A 11 -6.573 0.080 0.791 1.00 71.31 C ATOM 173 CG1 VAL A 11 -5.481 1.109 0.454 1.00 75.31 C ATOM 174 CG2 VAL A 11 -7.947 0.652 0.440 1.00 65.21 C ATOM 0 H VAL A 11 -8.059 -1.942 1.068 1.00 54.53 H new ATOM 0 HA VAL A 11 -6.365 -1.118 -1.024 1.00 1.23 H new ATOM 0 HB VAL A 11 -6.533 -0.123 1.861 1.00 71.31 H new ATOM 0 HG11 VAL A 11 -5.683 2.040 0.983 1.00 75.31 H new ATOM 0 HG12 VAL A 11 -4.509 0.721 0.759 1.00 75.31 H new ATOM 0 HG13 VAL A 11 -5.476 1.296 -0.620 1.00 75.31 H new ATOM 0 HG21 VAL A 11 -8.092 1.597 0.963 1.00 65.21 H new ATOM 0 HG22 VAL A 11 -8.008 0.819 -0.635 1.00 65.21 H new ATOM 0 HG23 VAL A 11 -8.722 -0.052 0.742 1.00 65.21 H new ATOM 184 N LYS A 12 -4.842 -2.439 1.619 1.00 74.31 N ATOM 185 CA LYS A 12 -3.584 -3.005 2.141 1.00 54.51 C ATOM 186 C LYS A 12 -3.130 -4.194 1.283 1.00 54.14 C ATOM 187 O LYS A 12 -1.928 -4.409 1.109 1.00 24.15 O ATOM 188 CB LYS A 12 -3.754 -3.442 3.617 1.00 32.13 C ATOM 189 CG LYS A 12 -4.198 -2.308 4.566 1.00 1.02 C ATOM 190 CD LYS A 12 -4.310 -2.763 6.038 1.00 65.20 C ATOM 191 CE LYS A 12 -5.305 -3.909 6.265 1.00 1.15 C ATOM 192 NZ LYS A 12 -5.298 -4.347 7.689 1.00 74.20 N ATOM 0 H LYS A 12 -5.634 -2.553 2.251 1.00 74.31 H new ATOM 0 HA LYS A 12 -2.817 -2.231 2.095 1.00 54.51 H new ATOM 0 HB2 LYS A 12 -4.487 -4.247 3.664 1.00 32.13 H new ATOM 0 HB3 LYS A 12 -2.809 -3.850 3.974 1.00 32.13 H new ATOM 0 HG2 LYS A 12 -3.486 -1.486 4.499 1.00 1.02 H new ATOM 0 HG3 LYS A 12 -5.163 -1.922 4.236 1.00 1.02 H new ATOM 0 HD2 LYS A 12 -3.326 -3.076 6.386 1.00 65.20 H new ATOM 0 HD3 LYS A 12 -4.608 -1.911 6.649 1.00 65.20 H new ATOM 0 HE2 LYS A 12 -6.308 -3.586 5.985 1.00 1.15 H new ATOM 0 HE3 LYS A 12 -5.050 -4.750 5.621 1.00 1.15 H new ATOM 0 HZ1 LYS A 12 -5.979 -5.123 7.817 1.00 74.20 H new ATOM 0 HZ2 LYS A 12 -4.346 -4.676 7.946 1.00 74.20 H new ATOM 0 HZ3 LYS A 12 -5.565 -3.548 8.299 1.00 74.20 H new ATOM 206 N GLN A 13 -4.119 -4.953 0.753 1.00 63.34 N ATOM 207 CA GLN A 13 -3.870 -6.078 -0.156 1.00 53.33 C ATOM 208 C GLN A 13 -3.286 -5.554 -1.484 1.00 10.34 C ATOM 209 O GLN A 13 -2.170 -5.903 -1.818 1.00 62.44 O ATOM 210 CB GLN A 13 -5.169 -6.891 -0.407 1.00 4.45 C ATOM 211 CG GLN A 13 -5.018 -8.071 -1.397 1.00 31.42 C ATOM 212 CD GLN A 13 -6.305 -8.876 -1.634 1.00 25.41 C ATOM 213 OE1 GLN A 13 -6.253 -10.087 -1.875 1.00 4.31 O ATOM 214 NE2 GLN A 13 -7.461 -8.216 -1.616 1.00 41.13 N ATOM 0 H GLN A 13 -5.108 -4.796 0.948 1.00 63.34 H new ATOM 0 HA GLN A 13 -3.147 -6.749 0.308 1.00 53.33 H new ATOM 0 HB2 GLN A 13 -5.527 -7.279 0.546 1.00 4.45 H new ATOM 0 HB3 GLN A 13 -5.936 -6.215 -0.784 1.00 4.45 H new ATOM 0 HG2 GLN A 13 -4.666 -7.683 -2.353 1.00 31.42 H new ATOM 0 HG3 GLN A 13 -4.247 -8.745 -1.024 1.00 31.42 H new ATOM 0 HE21 GLN A 13 -7.474 -7.216 -1.414 1.00 41.13 H new ATOM 0 HE22 GLN A 13 -8.333 -8.710 -1.804 1.00 41.13 H new ATOM 223 N VAL A 14 -4.044 -4.665 -2.179 1.00 21.24 N ATOM 224 CA VAL A 14 -3.655 -4.068 -3.489 1.00 23.42 C ATOM 225 C VAL A 14 -2.249 -3.437 -3.417 1.00 70.40 C ATOM 226 O VAL A 14 -1.416 -3.655 -4.296 1.00 42.04 O ATOM 227 CB VAL A 14 -4.705 -2.976 -3.956 1.00 12.42 C ATOM 228 CG1 VAL A 14 -4.280 -2.279 -5.274 1.00 65.20 C ATOM 229 CG2 VAL A 14 -6.121 -3.586 -4.105 1.00 21.33 C ATOM 0 H VAL A 14 -4.951 -4.338 -1.844 1.00 21.24 H new ATOM 0 HA VAL A 14 -3.641 -4.877 -4.220 1.00 23.42 H new ATOM 0 HB VAL A 14 -4.732 -2.217 -3.174 1.00 12.42 H new ATOM 0 HG11 VAL A 14 -5.031 -1.540 -5.553 1.00 65.20 H new ATOM 0 HG12 VAL A 14 -3.319 -1.784 -5.131 1.00 65.20 H new ATOM 0 HG13 VAL A 14 -4.191 -3.022 -6.066 1.00 65.20 H new ATOM 0 HG21 VAL A 14 -6.818 -2.812 -4.426 1.00 21.33 H new ATOM 0 HG22 VAL A 14 -6.097 -4.384 -4.847 1.00 21.33 H new ATOM 0 HG23 VAL A 14 -6.445 -3.991 -3.147 1.00 21.33 H new ATOM 239 N ALA A 15 -2.015 -2.693 -2.326 1.00 40.11 N ATOM 240 CA ALA A 15 -0.750 -1.989 -2.058 1.00 35.04 C ATOM 241 C ALA A 15 0.431 -2.969 -1.939 1.00 41.13 C ATOM 242 O ALA A 15 1.519 -2.725 -2.478 1.00 52.44 O ATOM 243 CB ALA A 15 -0.904 -1.152 -0.780 1.00 62.22 C ATOM 0 H ALA A 15 -2.711 -2.561 -1.592 1.00 40.11 H new ATOM 0 HA ALA A 15 -0.528 -1.331 -2.898 1.00 35.04 H new ATOM 0 HB1 ALA A 15 0.029 -0.627 -0.574 1.00 62.22 H new ATOM 0 HB2 ALA A 15 -1.706 -0.427 -0.915 1.00 62.22 H new ATOM 0 HB3 ALA A 15 -1.144 -1.807 0.057 1.00 62.22 H new ATOM 249 N LYS A 16 0.172 -4.082 -1.246 1.00 31.01 N ATOM 250 CA LYS A 16 1.113 -5.188 -1.076 1.00 23.12 C ATOM 251 C LYS A 16 1.398 -5.875 -2.428 1.00 61.30 C ATOM 252 O LYS A 16 2.556 -6.131 -2.742 1.00 45.34 O ATOM 253 CB LYS A 16 0.521 -6.171 -0.026 1.00 53.54 C ATOM 254 CG LYS A 16 1.103 -7.588 -0.025 1.00 54.24 C ATOM 255 CD LYS A 16 0.438 -8.495 1.044 1.00 3.44 C ATOM 256 CE LYS A 16 0.731 -9.985 0.811 1.00 54.34 C ATOM 257 NZ LYS A 16 0.160 -10.457 -0.479 1.00 25.12 N ATOM 0 H LYS A 16 -0.720 -4.241 -0.777 1.00 31.01 H new ATOM 0 HA LYS A 16 2.073 -4.821 -0.713 1.00 23.12 H new ATOM 0 HB2 LYS A 16 0.664 -5.741 0.965 1.00 53.54 H new ATOM 0 HB3 LYS A 16 -0.554 -6.242 -0.191 1.00 53.54 H new ATOM 0 HG2 LYS A 16 0.970 -8.034 -1.011 1.00 54.24 H new ATOM 0 HG3 LYS A 16 2.176 -7.538 0.160 1.00 54.24 H new ATOM 0 HD2 LYS A 16 0.794 -8.208 2.033 1.00 3.44 H new ATOM 0 HD3 LYS A 16 -0.640 -8.333 1.034 1.00 3.44 H new ATOM 0 HE2 LYS A 16 1.808 -10.150 0.815 1.00 54.34 H new ATOM 0 HE3 LYS A 16 0.315 -10.571 1.630 1.00 54.34 H new ATOM 0 HZ1 LYS A 16 -0.628 -11.109 -0.292 1.00 25.12 H new ATOM 0 HZ2 LYS A 16 -0.187 -9.642 -1.024 1.00 25.12 H new ATOM 0 HZ3 LYS A 16 0.895 -10.950 -1.024 1.00 25.12 H new ATOM 271 N GLU A 17 0.330 -6.109 -3.228 1.00 24.54 N ATOM 272 CA GLU A 17 0.422 -6.809 -4.529 1.00 74.15 C ATOM 273 C GLU A 17 1.330 -6.035 -5.495 1.00 33.43 C ATOM 274 O GLU A 17 2.146 -6.628 -6.191 1.00 2.14 O ATOM 275 CB GLU A 17 -0.982 -6.988 -5.180 1.00 13.31 C ATOM 276 CG GLU A 17 -2.024 -7.725 -4.321 1.00 71.45 C ATOM 277 CD GLU A 17 -1.519 -9.055 -3.729 1.00 34.55 C ATOM 278 OE1 GLU A 17 -1.523 -10.069 -4.452 1.00 3.44 O ATOM 279 OE2 GLU A 17 -1.125 -9.091 -2.543 1.00 22.11 O ATOM 0 H GLU A 17 -0.618 -5.818 -2.989 1.00 24.54 H new ATOM 0 HA GLU A 17 0.847 -7.794 -4.337 1.00 74.15 H new ATOM 0 HB2 GLU A 17 -1.375 -6.003 -5.430 1.00 13.31 H new ATOM 0 HB3 GLU A 17 -0.861 -7.530 -6.118 1.00 13.31 H new ATOM 0 HG2 GLU A 17 -2.336 -7.072 -3.506 1.00 71.45 H new ATOM 0 HG3 GLU A 17 -2.907 -7.921 -4.928 1.00 71.45 H new ATOM 286 N LYS A 18 1.168 -4.696 -5.491 1.00 13.12 N ATOM 287 CA LYS A 18 1.951 -3.783 -6.334 1.00 22.15 C ATOM 288 C LYS A 18 3.444 -3.817 -5.946 1.00 61.44 C ATOM 289 O LYS A 18 4.307 -3.842 -6.821 1.00 74.20 O ATOM 290 CB LYS A 18 1.377 -2.338 -6.235 1.00 5.01 C ATOM 291 CG LYS A 18 -0.067 -2.182 -6.776 1.00 75.11 C ATOM 292 CD LYS A 18 -0.199 -2.588 -8.266 1.00 34.13 C ATOM 293 CE LYS A 18 -1.656 -2.716 -8.736 1.00 61.35 C ATOM 294 NZ LYS A 18 -1.728 -3.345 -10.086 1.00 51.55 N ATOM 0 H LYS A 18 0.487 -4.221 -4.899 1.00 13.12 H new ATOM 0 HA LYS A 18 1.874 -4.114 -7.370 1.00 22.15 H new ATOM 0 HB2 LYS A 18 1.397 -2.023 -5.192 1.00 5.01 H new ATOM 0 HB3 LYS A 18 2.032 -1.662 -6.784 1.00 5.01 H new ATOM 0 HG2 LYS A 18 -0.742 -2.793 -6.177 1.00 75.11 H new ATOM 0 HG3 LYS A 18 -0.384 -1.146 -6.657 1.00 75.11 H new ATOM 0 HD2 LYS A 18 0.311 -1.848 -8.883 1.00 34.13 H new ATOM 0 HD3 LYS A 18 0.310 -3.539 -8.422 1.00 34.13 H new ATOM 0 HE2 LYS A 18 -2.221 -3.314 -8.021 1.00 61.35 H new ATOM 0 HE3 LYS A 18 -2.121 -1.730 -8.765 1.00 61.35 H new ATOM 0 HZ1 LYS A 18 -2.722 -3.420 -10.381 1.00 51.55 H new ATOM 0 HZ2 LYS A 18 -1.207 -2.760 -10.770 1.00 51.55 H new ATOM 0 HZ3 LYS A 18 -1.305 -4.294 -10.050 1.00 51.55 H new ATOM 308 N LEU A 19 3.728 -3.849 -4.625 1.00 63.55 N ATOM 309 CA LEU A 19 5.112 -3.935 -4.098 1.00 4.50 C ATOM 310 C LEU A 19 5.744 -5.327 -4.367 1.00 34.43 C ATOM 311 O LEU A 19 6.968 -5.437 -4.484 1.00 72.24 O ATOM 312 CB LEU A 19 5.142 -3.594 -2.578 1.00 31.22 C ATOM 313 CG LEU A 19 4.807 -2.117 -2.195 1.00 20.31 C ATOM 314 CD1 LEU A 19 4.873 -1.896 -0.671 1.00 75.01 C ATOM 315 CD2 LEU A 19 5.722 -1.125 -2.928 1.00 52.02 C ATOM 0 H LEU A 19 3.013 -3.816 -3.898 1.00 63.55 H new ATOM 0 HA LEU A 19 5.714 -3.198 -4.629 1.00 4.50 H new ATOM 0 HB2 LEU A 19 4.437 -4.249 -2.066 1.00 31.22 H new ATOM 0 HB3 LEU A 19 6.134 -3.831 -2.193 1.00 31.22 H new ATOM 0 HG LEU A 19 3.782 -1.929 -2.515 1.00 20.31 H new ATOM 0 HD11 LEU A 19 4.634 -0.857 -0.443 1.00 75.01 H new ATOM 0 HD12 LEU A 19 4.155 -2.550 -0.177 1.00 75.01 H new ATOM 0 HD13 LEU A 19 5.877 -2.124 -0.313 1.00 75.01 H new ATOM 0 HD21 LEU A 19 5.461 -0.107 -2.638 1.00 52.02 H new ATOM 0 HD22 LEU A 19 6.760 -1.323 -2.662 1.00 52.02 H new ATOM 0 HD23 LEU A 19 5.595 -1.240 -4.004 1.00 52.02 H new ATOM 327 N LEU A 20 4.892 -6.375 -4.466 1.00 40.12 N ATOM 328 CA LEU A 20 5.321 -7.744 -4.839 1.00 2.24 C ATOM 329 C LEU A 20 5.651 -7.812 -6.349 1.00 24.41 C ATOM 330 O LEU A 20 6.543 -8.557 -6.762 1.00 13.14 O ATOM 331 CB LEU A 20 4.221 -8.792 -4.478 1.00 24.14 C ATOM 332 CG LEU A 20 3.917 -8.988 -2.957 1.00 1.43 C ATOM 333 CD1 LEU A 20 2.785 -10.015 -2.737 1.00 31.00 C ATOM 334 CD2 LEU A 20 5.187 -9.372 -2.168 1.00 15.41 C ATOM 0 H LEU A 20 3.890 -6.296 -4.290 1.00 40.12 H new ATOM 0 HA LEU A 20 6.220 -7.984 -4.271 1.00 2.24 H new ATOM 0 HB2 LEU A 20 3.296 -8.501 -4.976 1.00 24.14 H new ATOM 0 HB3 LEU A 20 4.518 -9.755 -4.894 1.00 24.14 H new ATOM 0 HG LEU A 20 3.572 -8.030 -2.569 1.00 1.43 H new ATOM 0 HD11 LEU A 20 2.599 -10.128 -1.669 1.00 31.00 H new ATOM 0 HD12 LEU A 20 1.877 -9.667 -3.229 1.00 31.00 H new ATOM 0 HD13 LEU A 20 3.079 -10.977 -3.157 1.00 31.00 H new ATOM 0 HD21 LEU A 20 4.936 -9.500 -1.115 1.00 15.41 H new ATOM 0 HD22 LEU A 20 5.591 -10.305 -2.561 1.00 15.41 H new ATOM 0 HD23 LEU A 20 5.932 -8.583 -2.271 1.00 15.41 H new ATOM 346 N GLU A 21 4.909 -7.031 -7.163 1.00 53.13 N ATOM 347 CA GLU A 21 5.128 -6.934 -8.625 1.00 11.53 C ATOM 348 C GLU A 21 6.433 -6.168 -8.934 1.00 74.13 C ATOM 349 O GLU A 21 7.147 -6.501 -9.886 1.00 2.25 O ATOM 350 CB GLU A 21 3.917 -6.248 -9.327 1.00 32.13 C ATOM 351 CG GLU A 21 2.619 -7.082 -9.336 1.00 71.30 C ATOM 352 CD GLU A 21 1.457 -6.376 -10.065 1.00 31.04 C ATOM 353 OE1 GLU A 21 1.278 -6.601 -11.284 1.00 23.44 O ATOM 354 OE2 GLU A 21 0.733 -5.575 -9.434 1.00 12.40 O ATOM 0 H GLU A 21 4.141 -6.450 -6.827 1.00 53.13 H new ATOM 0 HA GLU A 21 5.221 -7.947 -9.016 1.00 11.53 H new ATOM 0 HB2 GLU A 21 3.718 -5.297 -8.832 1.00 32.13 H new ATOM 0 HB3 GLU A 21 4.193 -6.020 -10.356 1.00 32.13 H new ATOM 0 HG2 GLU A 21 2.813 -8.041 -9.816 1.00 71.30 H new ATOM 0 HG3 GLU A 21 2.322 -7.294 -8.309 1.00 71.30 H new ATOM 361 N GLN A 22 6.724 -5.139 -8.118 1.00 11.21 N ATOM 362 CA GLN A 22 7.944 -4.313 -8.247 1.00 74.42 C ATOM 363 C GLN A 22 9.184 -5.051 -7.707 1.00 71.33 C ATOM 364 O GLN A 22 10.287 -4.911 -8.252 1.00 53.54 O ATOM 365 CB GLN A 22 7.759 -2.962 -7.504 1.00 40.52 C ATOM 366 CG GLN A 22 6.628 -2.069 -8.070 1.00 1.10 C ATOM 367 CD GLN A 22 6.389 -0.765 -7.292 1.00 3.33 C ATOM 368 OE1 GLN A 22 5.990 0.252 -7.867 1.00 5.35 O ATOM 369 NE2 GLN A 22 6.602 -0.776 -5.984 1.00 71.03 N ATOM 0 H GLN A 22 6.120 -4.854 -7.347 1.00 11.21 H new ATOM 0 HA GLN A 22 8.105 -4.119 -9.307 1.00 74.42 H new ATOM 0 HB2 GLN A 22 7.553 -3.165 -6.453 1.00 40.52 H new ATOM 0 HB3 GLN A 22 8.697 -2.408 -7.544 1.00 40.52 H new ATOM 0 HG2 GLN A 22 6.863 -1.821 -9.105 1.00 1.10 H new ATOM 0 HG3 GLN A 22 5.702 -2.644 -8.083 1.00 1.10 H new ATOM 0 HE21 GLN A 22 6.932 -1.627 -5.528 1.00 71.03 H new ATOM 0 HE22 GLN A 22 6.436 0.066 -5.433 1.00 71.03 H new ATOM 378 N SER A 23 8.991 -5.839 -6.636 1.00 40.04 N ATOM 379 CA SER A 23 10.072 -6.609 -6.001 1.00 15.22 C ATOM 380 C SER A 23 9.493 -7.920 -5.410 1.00 42.15 C ATOM 381 O SER A 23 8.960 -7.918 -4.296 1.00 24.21 O ATOM 382 CB SER A 23 10.782 -5.763 -4.906 1.00 54.41 C ATOM 383 OG SER A 23 11.903 -6.451 -4.360 1.00 70.23 O ATOM 0 H SER A 23 8.083 -5.960 -6.187 1.00 40.04 H new ATOM 0 HA SER A 23 10.820 -6.863 -6.752 1.00 15.22 H new ATOM 0 HB2 SER A 23 11.108 -4.814 -5.332 1.00 54.41 H new ATOM 0 HB3 SER A 23 10.075 -5.529 -4.110 1.00 54.41 H new ATOM 0 HG SER A 23 12.639 -5.819 -4.221 1.00 70.23 H new ATOM 389 N PRO A 24 9.534 -9.059 -6.185 1.00 71.42 N ATOM 390 CA PRO A 24 9.132 -10.397 -5.673 1.00 11.21 C ATOM 391 C PRO A 24 10.198 -11.032 -4.747 1.00 53.44 C ATOM 392 O PRO A 24 9.982 -12.112 -4.193 1.00 61.44 O ATOM 393 CB PRO A 24 8.932 -11.216 -6.974 1.00 12.04 C ATOM 394 CG PRO A 24 9.893 -10.605 -7.955 1.00 60.33 C ATOM 395 CD PRO A 24 9.928 -9.120 -7.627 1.00 43.41 C ATOM 0 HA PRO A 24 8.242 -10.355 -5.045 1.00 11.21 H new ATOM 0 HB2 PRO A 24 9.146 -12.273 -6.815 1.00 12.04 H new ATOM 0 HB3 PRO A 24 7.904 -11.149 -7.331 1.00 12.04 H new ATOM 0 HG2 PRO A 24 10.884 -11.050 -7.862 1.00 60.33 H new ATOM 0 HG3 PRO A 24 9.564 -10.772 -8.981 1.00 60.33 H new ATOM 0 HD2 PRO A 24 10.920 -8.699 -7.788 1.00 43.41 H new ATOM 0 HD3 PRO A 24 9.237 -8.556 -8.254 1.00 43.41 H new ATOM 403 N ASN A 25 11.345 -10.340 -4.610 1.00 11.13 N ATOM 404 CA ASN A 25 12.424 -10.706 -3.672 1.00 33.15 C ATOM 405 C ASN A 25 12.107 -10.165 -2.265 1.00 64.40 C ATOM 406 O ASN A 25 12.670 -10.628 -1.265 1.00 42.12 O ATOM 407 CB ASN A 25 13.783 -10.116 -4.161 1.00 73.54 C ATOM 408 CG ASN A 25 14.327 -10.680 -5.480 1.00 4.12 C ATOM 409 OD1 ASN A 25 15.539 -10.739 -5.678 1.00 23.21 O ATOM 410 ND2 ASN A 25 13.469 -11.060 -6.417 1.00 31.41 N ATOM 0 H ASN A 25 11.551 -9.502 -5.153 1.00 11.13 H new ATOM 0 HA ASN A 25 12.497 -11.793 -3.632 1.00 33.15 H new ATOM 0 HB2 ASN A 25 13.670 -9.037 -4.270 1.00 73.54 H new ATOM 0 HB3 ASN A 25 14.529 -10.281 -3.383 1.00 73.54 H new ATOM 0 HD21 ASN A 25 13.812 -11.406 -7.313 1.00 31.41 H new ATOM 0 HD22 ASN A 25 12.466 -11.007 -6.242 1.00 31.41 H new ATOM 417 N SER A 26 11.205 -9.168 -2.207 1.00 23.20 N ATOM 418 CA SER A 26 10.888 -8.441 -0.980 1.00 10.32 C ATOM 419 C SER A 26 9.804 -9.137 -0.156 1.00 5.30 C ATOM 420 O SER A 26 8.829 -9.666 -0.702 1.00 75.52 O ATOM 421 CB SER A 26 10.423 -7.014 -1.314 1.00 32.31 C ATOM 422 OG SER A 26 10.032 -6.318 -0.141 1.00 41.32 O ATOM 0 H SER A 26 10.677 -8.848 -3.019 1.00 23.20 H new ATOM 0 HA SER A 26 11.801 -8.413 -0.385 1.00 10.32 H new ATOM 0 HB2 SER A 26 11.228 -6.473 -1.811 1.00 32.31 H new ATOM 0 HB3 SER A 26 9.587 -7.054 -2.013 1.00 32.31 H new ATOM 0 HG SER A 26 9.151 -5.913 -0.280 1.00 41.32 H new ATOM 428 N LYS A 27 9.996 -9.104 1.172 1.00 42.14 N ATOM 429 CA LYS A 27 8.957 -9.407 2.148 1.00 74.13 C ATOM 430 C LYS A 27 8.237 -8.089 2.473 1.00 53.03 C ATOM 431 O LYS A 27 8.822 -7.191 3.094 1.00 52.33 O ATOM 432 CB LYS A 27 9.572 -10.048 3.425 1.00 23.32 C ATOM 433 CG LYS A 27 8.554 -10.391 4.537 1.00 71.52 C ATOM 434 CD LYS A 27 7.489 -11.420 4.091 1.00 22.42 C ATOM 435 CE LYS A 27 8.079 -12.806 3.749 1.00 51.32 C ATOM 436 NZ LYS A 27 7.012 -13.786 3.399 1.00 42.32 N ATOM 0 H LYS A 27 10.892 -8.862 1.596 1.00 42.14 H new ATOM 0 HA LYS A 27 8.248 -10.131 1.746 1.00 74.13 H new ATOM 0 HB2 LYS A 27 10.097 -10.960 3.139 1.00 23.32 H new ATOM 0 HB3 LYS A 27 10.318 -9.366 3.833 1.00 23.32 H new ATOM 0 HG2 LYS A 27 9.089 -10.783 5.402 1.00 71.52 H new ATOM 0 HG3 LYS A 27 8.055 -9.477 4.858 1.00 71.52 H new ATOM 0 HD2 LYS A 27 6.750 -11.534 4.884 1.00 22.42 H new ATOM 0 HD3 LYS A 27 6.963 -11.032 3.219 1.00 22.42 H new ATOM 0 HE2 LYS A 27 8.774 -12.710 2.915 1.00 51.32 H new ATOM 0 HE3 LYS A 27 8.651 -13.178 4.599 1.00 51.32 H new ATOM 0 HZ1 LYS A 27 7.445 -14.705 3.175 1.00 42.32 H new ATOM 0 HZ2 LYS A 27 6.363 -13.896 4.205 1.00 42.32 H new ATOM 0 HZ3 LYS A 27 6.482 -13.442 2.573 1.00 42.32 H new ATOM 450 N VAL A 28 6.986 -7.970 1.998 1.00 43.33 N ATOM 451 CA VAL A 28 6.172 -6.756 2.135 1.00 60.35 C ATOM 452 C VAL A 28 5.209 -6.923 3.327 1.00 72.43 C ATOM 453 O VAL A 28 4.313 -7.773 3.300 1.00 54.43 O ATOM 454 CB VAL A 28 5.377 -6.475 0.804 1.00 13.15 C ATOM 455 CG1 VAL A 28 4.456 -5.242 0.938 1.00 74.34 C ATOM 456 CG2 VAL A 28 6.358 -6.314 -0.386 1.00 34.15 C ATOM 0 H VAL A 28 6.509 -8.723 1.503 1.00 43.33 H new ATOM 0 HA VAL A 28 6.822 -5.901 2.321 1.00 60.35 H new ATOM 0 HB VAL A 28 4.735 -7.334 0.609 1.00 13.15 H new ATOM 0 HG11 VAL A 28 3.925 -5.081 -0.000 1.00 74.34 H new ATOM 0 HG12 VAL A 28 3.736 -5.411 1.738 1.00 74.34 H new ATOM 0 HG13 VAL A 28 5.057 -4.363 1.171 1.00 74.34 H new ATOM 0 HG21 VAL A 28 5.794 -6.120 -1.299 1.00 34.15 H new ATOM 0 HG22 VAL A 28 7.032 -5.480 -0.192 1.00 34.15 H new ATOM 0 HG23 VAL A 28 6.938 -7.229 -0.505 1.00 34.15 H new ATOM 466 N GLN A 29 5.425 -6.118 4.374 1.00 72.43 N ATOM 467 CA GLN A 29 4.634 -6.165 5.613 1.00 43.11 C ATOM 468 C GLN A 29 3.914 -4.832 5.819 1.00 75.43 C ATOM 469 O GLN A 29 4.564 -3.789 5.844 1.00 62.22 O ATOM 470 CB GLN A 29 5.569 -6.470 6.823 1.00 10.13 C ATOM 471 CG GLN A 29 4.855 -6.460 8.195 1.00 32.33 C ATOM 472 CD GLN A 29 3.730 -7.501 8.309 1.00 54.11 C ATOM 473 OE1 GLN A 29 3.825 -8.609 7.777 1.00 22.35 O ATOM 474 NE2 GLN A 29 2.641 -7.135 8.964 1.00 5.41 N ATOM 0 H GLN A 29 6.159 -5.410 4.387 1.00 72.43 H new ATOM 0 HA GLN A 29 3.889 -6.957 5.537 1.00 43.11 H new ATOM 0 HB2 GLN A 29 6.031 -7.446 6.674 1.00 10.13 H new ATOM 0 HB3 GLN A 29 6.374 -5.735 6.840 1.00 10.13 H new ATOM 0 HG2 GLN A 29 5.590 -6.643 8.979 1.00 32.33 H new ATOM 0 HG3 GLN A 29 4.440 -5.468 8.372 1.00 32.33 H new ATOM 0 HE21 GLN A 29 2.591 -6.212 9.394 1.00 5.41 H new ATOM 0 HE22 GLN A 29 1.851 -7.776 9.039 1.00 5.41 H new ATOM 483 N VAL A 30 2.571 -4.873 5.963 1.00 2.04 N ATOM 484 CA VAL A 30 1.776 -3.677 6.288 1.00 72.14 C ATOM 485 C VAL A 30 2.199 -3.144 7.673 1.00 4.34 C ATOM 486 O VAL A 30 1.941 -3.778 8.708 1.00 74.53 O ATOM 487 CB VAL A 30 0.229 -3.956 6.276 1.00 43.32 C ATOM 488 CG1 VAL A 30 -0.563 -2.659 6.574 1.00 75.43 C ATOM 489 CG2 VAL A 30 -0.219 -4.595 4.940 1.00 44.43 C ATOM 0 H VAL A 30 2.018 -5.724 5.858 1.00 2.04 H new ATOM 0 HA VAL A 30 1.972 -2.933 5.516 1.00 72.14 H new ATOM 0 HB VAL A 30 0.011 -4.674 7.067 1.00 43.32 H new ATOM 0 HG11 VAL A 30 -1.631 -2.874 6.561 1.00 75.43 H new ATOM 0 HG12 VAL A 30 -0.281 -2.278 7.556 1.00 75.43 H new ATOM 0 HG13 VAL A 30 -0.334 -1.911 5.815 1.00 75.43 H new ATOM 0 HG21 VAL A 30 -1.294 -4.775 4.965 1.00 44.43 H new ATOM 0 HG22 VAL A 30 0.017 -3.921 4.117 1.00 44.43 H new ATOM 0 HG23 VAL A 30 0.304 -5.540 4.796 1.00 44.43 H new ATOM 499 N ARG A 31 2.899 -2.006 7.657 1.00 3.23 N ATOM 500 CA ARG A 31 3.484 -1.391 8.855 1.00 64.42 C ATOM 501 C ARG A 31 2.485 -0.433 9.550 1.00 12.01 C ATOM 502 O ARG A 31 2.462 -0.350 10.789 1.00 15.13 O ATOM 503 CB ARG A 31 4.794 -0.652 8.475 1.00 3.42 C ATOM 504 CG ARG A 31 5.577 -0.060 9.670 1.00 3.01 C ATOM 505 CD ARG A 31 5.966 -1.132 10.708 1.00 53.12 C ATOM 506 NE ARG A 31 6.493 -0.517 11.947 1.00 72.24 N ATOM 507 CZ ARG A 31 5.883 -0.540 13.141 1.00 10.33 C ATOM 508 NH1 ARG A 31 4.708 -1.152 13.318 1.00 12.35 N ATOM 509 NH2 ARG A 31 6.450 0.062 14.172 1.00 41.35 N ATOM 0 H ARG A 31 3.078 -1.479 6.802 1.00 3.23 H new ATOM 0 HA ARG A 31 3.716 -2.180 9.570 1.00 64.42 H new ATOM 0 HB2 ARG A 31 5.444 -1.346 7.941 1.00 3.42 H new ATOM 0 HB3 ARG A 31 4.552 0.154 7.783 1.00 3.42 H new ATOM 0 HG2 ARG A 31 6.479 0.430 9.303 1.00 3.01 H new ATOM 0 HG3 ARG A 31 4.972 0.707 10.153 1.00 3.01 H new ATOM 0 HD2 ARG A 31 5.096 -1.744 10.945 1.00 53.12 H new ATOM 0 HD3 ARG A 31 6.717 -1.797 10.282 1.00 53.12 H new ATOM 0 HE ARG A 31 7.391 -0.038 11.888 1.00 72.24 H new ATOM 0 HH11 ARG A 31 4.252 -1.618 12.533 1.00 12.35 H new ATOM 0 HH12 ARG A 31 4.267 -1.153 14.238 1.00 12.35 H new ATOM 0 HH21 ARG A 31 7.344 0.539 14.056 1.00 41.35 H new ATOM 0 HH22 ARG A 31 5.993 0.050 15.084 1.00 41.35 H new ATOM 523 N ARG A 32 1.673 0.282 8.743 1.00 11.12 N ATOM 524 CA ARG A 32 0.699 1.279 9.245 1.00 2.54 C ATOM 525 C ARG A 32 -0.226 1.717 8.089 1.00 71.11 C ATOM 526 O ARG A 32 0.061 1.416 6.928 1.00 32.24 O ATOM 527 CB ARG A 32 1.458 2.492 9.877 1.00 2.30 C ATOM 528 CG ARG A 32 0.603 3.421 10.787 1.00 42.35 C ATOM 529 CD ARG A 32 1.461 4.236 11.777 1.00 53.31 C ATOM 530 NE ARG A 32 2.203 3.339 12.698 1.00 41.03 N ATOM 531 CZ ARG A 32 3.442 3.555 13.187 1.00 33.53 C ATOM 532 NH1 ARG A 32 4.127 4.647 12.864 1.00 21.42 N ATOM 533 NH2 ARG A 32 3.996 2.663 13.999 1.00 22.33 N ATOM 0 H ARG A 32 1.673 0.186 7.728 1.00 11.12 H new ATOM 0 HA ARG A 32 0.079 0.838 10.025 1.00 2.54 H new ATOM 0 HB2 ARG A 32 2.294 2.109 10.463 1.00 2.30 H new ATOM 0 HB3 ARG A 32 1.881 3.092 9.072 1.00 2.30 H new ATOM 0 HG2 ARG A 32 0.027 4.105 10.163 1.00 42.35 H new ATOM 0 HG3 ARG A 32 -0.114 2.818 11.344 1.00 42.35 H new ATOM 0 HD2 ARG A 32 2.164 4.861 11.226 1.00 53.31 H new ATOM 0 HD3 ARG A 32 0.822 4.906 12.352 1.00 53.31 H new ATOM 0 HE ARG A 32 1.733 2.481 12.988 1.00 41.03 H new ATOM 0 HH11 ARG A 32 3.717 5.339 12.237 1.00 21.42 H new ATOM 0 HH12 ARG A 32 5.062 4.793 13.244 1.00 21.42 H new ATOM 0 HH21 ARG A 32 3.485 1.817 14.252 1.00 22.33 H new ATOM 0 HH22 ARG A 32 4.932 2.824 14.370 1.00 22.33 H new ATOM 547 N VAL A 33 -1.356 2.386 8.422 1.00 13.31 N ATOM 548 CA VAL A 33 -2.357 2.869 7.436 1.00 64.31 C ATOM 549 C VAL A 33 -2.892 4.249 7.875 1.00 72.51 C ATOM 550 O VAL A 33 -3.377 4.387 9.006 1.00 10.12 O ATOM 551 CB VAL A 33 -3.585 1.875 7.305 1.00 61.42 C ATOM 552 CG1 VAL A 33 -4.645 2.398 6.310 1.00 33.01 C ATOM 553 CG2 VAL A 33 -3.126 0.463 6.906 1.00 25.41 C ATOM 0 H VAL A 33 -1.601 2.608 9.387 1.00 13.31 H new ATOM 0 HA VAL A 33 -1.857 2.934 6.469 1.00 64.31 H new ATOM 0 HB VAL A 33 -4.049 1.819 8.290 1.00 61.42 H new ATOM 0 HG11 VAL A 33 -5.469 1.687 6.250 1.00 33.01 H new ATOM 0 HG12 VAL A 33 -5.021 3.362 6.652 1.00 33.01 H new ATOM 0 HG13 VAL A 33 -4.193 2.514 5.325 1.00 33.01 H new ATOM 0 HG21 VAL A 33 -3.993 -0.192 6.825 1.00 25.41 H new ATOM 0 HG22 VAL A 33 -2.612 0.505 5.946 1.00 25.41 H new ATOM 0 HG23 VAL A 33 -2.446 0.074 7.664 1.00 25.41 H new ATOM 563 N GLN A 34 -2.771 5.269 7.002 1.00 31.41 N ATOM 564 CA GLN A 34 -3.418 6.586 7.199 1.00 64.00 C ATOM 565 C GLN A 34 -4.687 6.675 6.321 1.00 72.41 C ATOM 566 O GLN A 34 -4.597 6.751 5.092 1.00 15.52 O ATOM 567 CB GLN A 34 -2.447 7.751 6.849 1.00 14.21 C ATOM 568 CG GLN A 34 -1.090 7.729 7.589 1.00 4.33 C ATOM 569 CD GLN A 34 -1.206 7.519 9.102 1.00 41.12 C ATOM 570 OE1 GLN A 34 -1.393 8.464 9.868 1.00 51.15 O ATOM 571 NE2 GLN A 34 -1.030 6.281 9.551 1.00 24.52 N ATOM 0 H GLN A 34 -2.225 5.206 6.143 1.00 31.41 H new ATOM 0 HA GLN A 34 -3.690 6.681 8.250 1.00 64.00 H new ATOM 0 HB2 GLN A 34 -2.257 7.733 5.776 1.00 14.21 H new ATOM 0 HB3 GLN A 34 -2.946 8.695 7.068 1.00 14.21 H new ATOM 0 HG2 GLN A 34 -0.472 6.935 7.169 1.00 4.33 H new ATOM 0 HG3 GLN A 34 -0.571 8.669 7.402 1.00 4.33 H new ATOM 0 HE21 GLN A 34 -0.877 5.517 8.893 1.00 24.52 H new ATOM 0 HE22 GLN A 34 -1.048 6.095 10.554 1.00 24.52 H new ATOM 580 N LYS A 35 -5.870 6.661 6.960 1.00 51.32 N ATOM 581 CA LYS A 35 -7.169 6.744 6.265 1.00 40.21 C ATOM 582 C LYS A 35 -7.668 8.204 6.342 1.00 24.41 C ATOM 583 O LYS A 35 -8.046 8.668 7.422 1.00 21.03 O ATOM 584 CB LYS A 35 -8.176 5.740 6.931 1.00 24.33 C ATOM 585 CG LYS A 35 -9.481 5.416 6.136 1.00 1.25 C ATOM 586 CD LYS A 35 -10.494 6.594 6.055 1.00 64.35 C ATOM 587 CE LYS A 35 -11.770 6.239 5.279 1.00 41.40 C ATOM 588 NZ LYS A 35 -11.481 5.797 3.887 1.00 62.54 N ATOM 0 H LYS A 35 -5.954 6.592 7.974 1.00 51.32 H new ATOM 0 HA LYS A 35 -7.076 6.467 5.215 1.00 40.21 H new ATOM 0 HB2 LYS A 35 -7.650 4.803 7.115 1.00 24.33 H new ATOM 0 HB3 LYS A 35 -8.462 6.141 7.903 1.00 24.33 H new ATOM 0 HG2 LYS A 35 -9.210 5.116 5.124 1.00 1.25 H new ATOM 0 HG3 LYS A 35 -9.973 4.562 6.601 1.00 1.25 H new ATOM 0 HD2 LYS A 35 -10.764 6.903 7.065 1.00 64.35 H new ATOM 0 HD3 LYS A 35 -10.012 7.448 5.579 1.00 64.35 H new ATOM 0 HE2 LYS A 35 -12.304 5.448 5.805 1.00 41.40 H new ATOM 0 HE3 LYS A 35 -12.430 7.106 5.253 1.00 41.40 H new ATOM 0 HZ1 LYS A 35 -11.882 6.482 3.215 1.00 62.54 H new ATOM 0 HZ2 LYS A 35 -10.452 5.738 3.748 1.00 62.54 H new ATOM 0 HZ3 LYS A 35 -11.906 4.862 3.724 1.00 62.54 H new ATOM 602 N GLN A 36 -7.643 8.925 5.201 1.00 21.13 N ATOM 603 CA GLN A 36 -8.160 10.312 5.089 1.00 42.24 C ATOM 604 C GLN A 36 -9.170 10.419 3.921 1.00 73.41 C ATOM 605 O GLN A 36 -8.783 10.510 2.736 1.00 72.43 O ATOM 606 CB GLN A 36 -6.990 11.331 4.919 1.00 62.31 C ATOM 607 CG GLN A 36 -6.123 11.552 6.179 1.00 50.12 C ATOM 608 CD GLN A 36 -6.923 12.102 7.377 1.00 65.34 C ATOM 609 OE1 GLN A 36 -7.419 11.353 8.219 1.00 5.31 O ATOM 610 NE2 GLN A 36 -7.071 13.414 7.450 1.00 4.22 N ATOM 0 H GLN A 36 -7.263 8.563 4.326 1.00 21.13 H new ATOM 0 HA GLN A 36 -8.682 10.561 6.013 1.00 42.24 H new ATOM 0 HB2 GLN A 36 -6.346 10.988 4.109 1.00 62.31 H new ATOM 0 HB3 GLN A 36 -7.406 12.290 4.611 1.00 62.31 H new ATOM 0 HG2 GLN A 36 -5.659 10.608 6.463 1.00 50.12 H new ATOM 0 HG3 GLN A 36 -5.316 12.245 5.940 1.00 50.12 H new ATOM 0 HE21 GLN A 36 -6.651 14.015 6.741 1.00 4.22 H new ATOM 0 HE22 GLN A 36 -7.605 13.825 8.216 1.00 4.22 H new ATOM 619 N GLY A 37 -10.477 10.378 4.279 1.00 72.10 N ATOM 620 CA GLY A 37 -11.576 10.548 3.335 1.00 73.23 C ATOM 621 C GLY A 37 -11.660 9.410 2.319 1.00 62.11 C ATOM 622 O GLY A 37 -11.797 8.247 2.698 1.00 52.45 O ATOM 0 H GLY A 37 -10.785 10.225 5.239 1.00 72.10 H new ATOM 0 HA2 GLY A 37 -12.515 10.610 3.884 1.00 73.23 H new ATOM 0 HA3 GLY A 37 -11.453 11.493 2.807 1.00 73.23 H new ATOM 626 N ASN A 38 -11.555 9.756 1.031 1.00 10.10 N ATOM 627 CA ASN A 38 -11.590 8.783 -0.081 1.00 42.42 C ATOM 628 C ASN A 38 -10.242 8.046 -0.201 1.00 74.11 C ATOM 629 O ASN A 38 -10.209 6.850 -0.511 1.00 71.52 O ATOM 630 CB ASN A 38 -11.928 9.506 -1.415 1.00 44.14 C ATOM 631 CG ASN A 38 -13.242 10.286 -1.351 1.00 61.01 C ATOM 632 OD1 ASN A 38 -13.276 11.453 -0.953 1.00 15.04 O ATOM 633 ND2 ASN A 38 -14.338 9.652 -1.733 1.00 30.21 N ATOM 0 H ASN A 38 -11.443 10.722 0.723 1.00 10.10 H new ATOM 0 HA ASN A 38 -12.367 8.047 0.128 1.00 42.42 H new ATOM 0 HB2 ASN A 38 -11.117 10.189 -1.668 1.00 44.14 H new ATOM 0 HB3 ASN A 38 -11.986 8.770 -2.217 1.00 44.14 H new ATOM 0 HD21 ASN A 38 -15.239 10.128 -1.703 1.00 30.21 H new ATOM 0 HD22 ASN A 38 -14.282 8.687 -2.058 1.00 30.21 H new ATOM 640 N THR A 39 -9.135 8.767 0.084 1.00 42.33 N ATOM 641 CA THR A 39 -7.776 8.232 -0.078 1.00 34.35 C ATOM 642 C THR A 39 -7.335 7.505 1.203 1.00 23.32 C ATOM 643 O THR A 39 -7.396 8.056 2.308 1.00 3.44 O ATOM 644 CB THR A 39 -6.758 9.361 -0.438 1.00 11.14 C ATOM 645 OG1 THR A 39 -7.163 10.004 -1.667 1.00 65.42 O ATOM 646 CG2 THR A 39 -5.304 8.831 -0.593 1.00 61.22 C ATOM 0 H THR A 39 -9.163 9.726 0.429 1.00 42.33 H new ATOM 0 HA THR A 39 -7.792 7.521 -0.904 1.00 34.35 H new ATOM 0 HB THR A 39 -6.761 10.071 0.389 1.00 11.14 H new ATOM 0 HG1 THR A 39 -6.525 10.713 -1.891 1.00 65.42 H new ATOM 0 HG21 THR A 39 -4.640 9.658 -0.843 1.00 61.22 H new ATOM 0 HG22 THR A 39 -4.981 8.376 0.343 1.00 61.22 H new ATOM 0 HG23 THR A 39 -5.271 8.086 -1.388 1.00 61.22 H new ATOM 654 N ILE A 40 -6.911 6.256 1.030 1.00 4.14 N ATOM 655 CA ILE A 40 -6.330 5.443 2.093 1.00 43.32 C ATOM 656 C ILE A 40 -4.861 5.159 1.721 1.00 53.15 C ATOM 657 O ILE A 40 -4.577 4.419 0.773 1.00 20.23 O ATOM 658 CB ILE A 40 -7.127 4.097 2.291 1.00 43.23 C ATOM 659 CG1 ILE A 40 -8.644 4.384 2.537 1.00 52.54 C ATOM 660 CG2 ILE A 40 -6.521 3.258 3.438 1.00 54.30 C ATOM 661 CD1 ILE A 40 -9.496 3.157 2.839 1.00 31.33 C ATOM 0 H ILE A 40 -6.963 5.773 0.133 1.00 4.14 H new ATOM 0 HA ILE A 40 -6.385 5.982 3.039 1.00 43.32 H new ATOM 0 HB ILE A 40 -7.041 3.512 1.375 1.00 43.23 H new ATOM 0 HG12 ILE A 40 -8.735 5.083 3.368 1.00 52.54 H new ATOM 0 HG13 ILE A 40 -9.051 4.881 1.656 1.00 52.54 H new ATOM 0 HG21 ILE A 40 -7.089 2.335 3.553 1.00 54.30 H new ATOM 0 HG22 ILE A 40 -5.484 3.018 3.205 1.00 54.30 H new ATOM 0 HG23 ILE A 40 -6.562 3.828 4.366 1.00 54.30 H new ATOM 0 HD11 ILE A 40 -10.531 3.462 2.994 1.00 31.33 H new ATOM 0 HD12 ILE A 40 -9.444 2.463 2.000 1.00 31.33 H new ATOM 0 HD13 ILE A 40 -9.123 2.668 3.739 1.00 31.33 H new ATOM 673 N ARG A 41 -3.947 5.812 2.449 1.00 70.13 N ATOM 674 CA ARG A 41 -2.504 5.578 2.350 1.00 75.14 C ATOM 675 C ARG A 41 -2.143 4.376 3.219 1.00 11.13 C ATOM 676 O ARG A 41 -2.593 4.295 4.363 1.00 33.30 O ATOM 677 CB ARG A 41 -1.716 6.827 2.830 1.00 12.50 C ATOM 678 CG ARG A 41 -1.912 8.084 1.963 1.00 64.42 C ATOM 679 CD ARG A 41 -0.994 9.245 2.390 1.00 35.41 C ATOM 680 NE ARG A 41 -1.014 10.357 1.422 1.00 42.32 N ATOM 681 CZ ARG A 41 -0.583 11.607 1.663 1.00 63.12 C ATOM 682 NH1 ARG A 41 -0.091 11.953 2.854 1.00 4.34 N ATOM 683 NH2 ARG A 41 -0.621 12.502 0.686 1.00 33.04 N ATOM 0 H ARG A 41 -4.194 6.528 3.133 1.00 70.13 H new ATOM 0 HA ARG A 41 -2.239 5.384 1.311 1.00 75.14 H new ATOM 0 HB2 ARG A 41 -2.015 7.057 3.853 1.00 12.50 H new ATOM 0 HB3 ARG A 41 -0.654 6.582 2.856 1.00 12.50 H new ATOM 0 HG2 ARG A 41 -1.717 7.836 0.920 1.00 64.42 H new ATOM 0 HG3 ARG A 41 -2.952 8.406 2.025 1.00 64.42 H new ATOM 0 HD2 ARG A 41 -1.306 9.611 3.368 1.00 35.41 H new ATOM 0 HD3 ARG A 41 0.027 8.878 2.498 1.00 35.41 H new ATOM 0 HE ARG A 41 -1.386 10.161 0.492 1.00 42.32 H new ATOM 0 HH11 ARG A 41 -0.036 11.263 3.603 1.00 4.34 H new ATOM 0 HH12 ARG A 41 0.231 12.907 3.015 1.00 4.34 H new ATOM 0 HH21 ARG A 41 -0.974 12.238 -0.234 1.00 33.04 H new ATOM 0 HH22 ARG A 41 -0.297 13.455 0.854 1.00 33.04 H new ATOM 697 N VAL A 42 -1.376 3.430 2.668 1.00 74.11 N ATOM 698 CA VAL A 42 -0.874 2.275 3.427 1.00 22.55 C ATOM 699 C VAL A 42 0.652 2.314 3.422 1.00 42.40 C ATOM 700 O VAL A 42 1.278 2.270 2.362 1.00 21.35 O ATOM 701 CB VAL A 42 -1.367 0.902 2.840 1.00 32.02 C ATOM 702 CG1 VAL A 42 -0.941 -0.279 3.740 1.00 24.41 C ATOM 703 CG2 VAL A 42 -2.888 0.899 2.634 1.00 12.24 C ATOM 0 H VAL A 42 -1.086 3.440 1.690 1.00 74.11 H new ATOM 0 HA VAL A 42 -1.266 2.346 4.442 1.00 22.55 H new ATOM 0 HB VAL A 42 -0.892 0.776 1.867 1.00 32.02 H new ATOM 0 HG11 VAL A 42 -1.297 -1.214 3.307 1.00 24.41 H new ATOM 0 HG12 VAL A 42 0.146 -0.305 3.816 1.00 24.41 H new ATOM 0 HG13 VAL A 42 -1.371 -0.153 4.734 1.00 24.41 H new ATOM 0 HG21 VAL A 42 -3.198 -0.064 2.227 1.00 12.24 H new ATOM 0 HG22 VAL A 42 -3.385 1.066 3.590 1.00 12.24 H new ATOM 0 HG23 VAL A 42 -3.163 1.692 1.939 1.00 12.24 H new ATOM 713 N GLU A 43 1.225 2.459 4.610 1.00 75.21 N ATOM 714 CA GLU A 43 2.660 2.357 4.832 1.00 32.21 C ATOM 715 C GLU A 43 3.008 0.870 4.988 1.00 1.22 C ATOM 716 O GLU A 43 2.686 0.268 6.006 1.00 71.14 O ATOM 717 CB GLU A 43 3.066 3.143 6.115 1.00 33.42 C ATOM 718 CG GLU A 43 2.747 4.662 6.110 1.00 35.01 C ATOM 719 CD GLU A 43 1.236 5.017 6.105 1.00 64.43 C ATOM 720 OE1 GLU A 43 0.723 5.515 5.074 1.00 43.01 O ATOM 721 OE2 GLU A 43 0.562 4.785 7.133 1.00 72.42 O ATOM 0 H GLU A 43 0.696 2.654 5.460 1.00 75.21 H new ATOM 0 HA GLU A 43 3.203 2.787 3.990 1.00 32.21 H new ATOM 0 HB2 GLU A 43 2.564 2.689 6.970 1.00 33.42 H new ATOM 0 HB3 GLU A 43 4.137 3.017 6.271 1.00 33.42 H new ATOM 0 HG2 GLU A 43 3.208 5.117 6.986 1.00 35.01 H new ATOM 0 HG3 GLU A 43 3.213 5.113 5.234 1.00 35.01 H new ATOM 728 N LEU A 44 3.588 0.257 3.952 1.00 71.13 N ATOM 729 CA LEU A 44 4.098 -1.134 4.032 1.00 44.13 C ATOM 730 C LEU A 44 5.623 -1.079 3.997 1.00 21.51 C ATOM 731 O LEU A 44 6.184 -0.058 3.635 1.00 22.11 O ATOM 732 CB LEU A 44 3.569 -2.040 2.879 1.00 54.52 C ATOM 733 CG LEU A 44 2.073 -1.831 2.453 1.00 33.31 C ATOM 734 CD1 LEU A 44 1.944 -0.716 1.397 1.00 21.22 C ATOM 735 CD2 LEU A 44 1.413 -3.134 1.969 1.00 22.03 C ATOM 0 H LEU A 44 3.721 0.696 3.041 1.00 71.13 H new ATOM 0 HA LEU A 44 3.739 -1.580 4.960 1.00 44.13 H new ATOM 0 HB2 LEU A 44 4.198 -1.880 2.004 1.00 54.52 H new ATOM 0 HB3 LEU A 44 3.696 -3.081 3.177 1.00 54.52 H new ATOM 0 HG LEU A 44 1.533 -1.517 3.346 1.00 33.31 H new ATOM 0 HD11 LEU A 44 0.896 -0.595 1.122 1.00 21.22 H new ATOM 0 HD12 LEU A 44 2.322 0.220 1.808 1.00 21.22 H new ATOM 0 HD13 LEU A 44 2.523 -0.984 0.513 1.00 21.22 H new ATOM 0 HD21 LEU A 44 0.379 -2.935 1.686 1.00 22.03 H new ATOM 0 HD22 LEU A 44 1.957 -3.519 1.107 1.00 22.03 H new ATOM 0 HD23 LEU A 44 1.434 -3.872 2.771 1.00 22.03 H new ATOM 747 N GLU A 45 6.293 -2.181 4.323 1.00 72.24 N ATOM 748 CA GLU A 45 7.752 -2.202 4.450 1.00 0.15 C ATOM 749 C GLU A 45 8.352 -3.240 3.498 1.00 72.35 C ATOM 750 O GLU A 45 7.955 -4.408 3.505 1.00 30.24 O ATOM 751 CB GLU A 45 8.133 -2.468 5.916 1.00 43.23 C ATOM 752 CG GLU A 45 9.650 -2.428 6.201 1.00 5.54 C ATOM 753 CD GLU A 45 9.957 -2.217 7.685 1.00 2.24 C ATOM 754 OE1 GLU A 45 9.900 -3.199 8.456 1.00 63.25 O ATOM 755 OE2 GLU A 45 10.244 -1.070 8.090 1.00 4.33 O ATOM 0 H GLU A 45 5.846 -3.080 4.506 1.00 72.24 H new ATOM 0 HA GLU A 45 8.165 -1.234 4.167 1.00 0.15 H new ATOM 0 HB2 GLU A 45 7.638 -1.729 6.546 1.00 43.23 H new ATOM 0 HB3 GLU A 45 7.747 -3.445 6.207 1.00 43.23 H new ATOM 0 HG2 GLU A 45 10.105 -3.361 5.867 1.00 5.54 H new ATOM 0 HG3 GLU A 45 10.105 -1.626 5.620 1.00 5.54 H new ATOM 762 N LEU A 46 9.294 -2.774 2.674 1.00 51.12 N ATOM 763 CA LEU A 46 9.976 -3.565 1.649 1.00 34.01 C ATOM 764 C LEU A 46 11.316 -4.045 2.242 1.00 34.32 C ATOM 765 O LEU A 46 12.178 -3.224 2.575 1.00 13.43 O ATOM 766 CB LEU A 46 10.150 -2.668 0.375 1.00 65.42 C ATOM 767 CG LEU A 46 10.776 -3.323 -0.919 1.00 23.02 C ATOM 768 CD1 LEU A 46 10.332 -2.595 -2.206 1.00 70.51 C ATOM 769 CD2 LEU A 46 12.320 -3.390 -0.852 1.00 53.11 C ATOM 0 H LEU A 46 9.612 -1.805 2.704 1.00 51.12 H new ATOM 0 HA LEU A 46 9.410 -4.447 1.349 1.00 34.01 H new ATOM 0 HB2 LEU A 46 9.169 -2.275 0.108 1.00 65.42 H new ATOM 0 HB3 LEU A 46 10.771 -1.815 0.650 1.00 65.42 H new ATOM 0 HG LEU A 46 10.395 -4.344 -0.954 1.00 23.02 H new ATOM 0 HD11 LEU A 46 10.785 -3.078 -3.072 1.00 70.51 H new ATOM 0 HD12 LEU A 46 9.246 -2.639 -2.293 1.00 70.51 H new ATOM 0 HD13 LEU A 46 10.651 -1.553 -2.163 1.00 70.51 H new ATOM 0 HD21 LEU A 46 12.704 -3.848 -1.764 1.00 53.11 H new ATOM 0 HD22 LEU A 46 12.724 -2.382 -0.754 1.00 53.11 H new ATOM 0 HD23 LEU A 46 12.621 -3.987 0.009 1.00 53.11 H new ATOM 781 N ARG A 47 11.459 -5.377 2.396 1.00 13.40 N ATOM 782 CA ARG A 47 12.655 -6.018 2.993 1.00 33.24 C ATOM 783 C ARG A 47 13.302 -6.993 1.979 1.00 0.30 C ATOM 784 O ARG A 47 12.750 -8.072 1.730 1.00 74.02 O ATOM 785 CB ARG A 47 12.269 -6.798 4.289 1.00 55.52 C ATOM 786 CG ARG A 47 11.623 -5.958 5.417 1.00 45.24 C ATOM 787 CD ARG A 47 11.267 -6.823 6.642 1.00 40.24 C ATOM 788 NE ARG A 47 10.614 -6.062 7.724 1.00 14.23 N ATOM 789 CZ ARG A 47 10.373 -6.537 8.964 1.00 24.31 C ATOM 790 NH1 ARG A 47 10.730 -7.773 9.307 1.00 52.52 N ATOM 791 NH2 ARG A 47 9.759 -5.772 9.850 1.00 34.33 N ATOM 0 H ARG A 47 10.744 -6.045 2.108 1.00 13.40 H new ATOM 0 HA ARG A 47 13.369 -5.235 3.248 1.00 33.24 H new ATOM 0 HB2 ARG A 47 11.579 -7.597 4.017 1.00 55.52 H new ATOM 0 HB3 ARG A 47 13.167 -7.273 4.685 1.00 55.52 H new ATOM 0 HG2 ARG A 47 12.308 -5.166 5.718 1.00 45.24 H new ATOM 0 HG3 ARG A 47 10.722 -5.474 5.040 1.00 45.24 H new ATOM 0 HD2 ARG A 47 10.608 -7.632 6.327 1.00 40.24 H new ATOM 0 HD3 ARG A 47 12.176 -7.284 7.029 1.00 40.24 H new ATOM 0 HE ARG A 47 10.323 -5.106 7.520 1.00 14.23 H new ATOM 0 HH11 ARG A 47 11.193 -8.377 8.628 1.00 52.52 H new ATOM 0 HH12 ARG A 47 10.540 -8.116 10.249 1.00 52.52 H new ATOM 0 HH21 ARG A 47 9.470 -4.828 9.595 1.00 34.33 H new ATOM 0 HH22 ARG A 47 9.574 -6.126 10.789 1.00 34.33 H new ATOM 805 N THR A 48 14.453 -6.610 1.387 1.00 72.31 N ATOM 806 CA THR A 48 15.217 -7.480 0.462 1.00 74.21 C ATOM 807 C THR A 48 16.685 -7.007 0.381 1.00 14.43 C ATOM 808 O THR A 48 16.935 -5.814 0.285 1.00 20.02 O ATOM 809 CB THR A 48 14.575 -7.523 -0.974 1.00 42.34 C ATOM 810 OG1 THR A 48 15.259 -8.471 -1.793 1.00 72.10 O ATOM 811 CG2 THR A 48 14.564 -6.157 -1.684 1.00 62.01 C ATOM 0 H THR A 48 14.879 -5.695 1.534 1.00 72.31 H new ATOM 0 HA THR A 48 15.185 -8.494 0.861 1.00 74.21 H new ATOM 0 HB THR A 48 13.536 -7.819 -0.829 1.00 42.34 H new ATOM 0 HG1 THR A 48 15.216 -8.186 -2.730 1.00 72.10 H new ATOM 0 HG21 THR A 48 14.107 -6.262 -2.668 1.00 62.01 H new ATOM 0 HG22 THR A 48 13.990 -5.444 -1.092 1.00 62.01 H new ATOM 0 HG23 THR A 48 15.587 -5.797 -1.795 1.00 62.01 H new ATOM 819 N ASN A 49 17.646 -7.966 0.434 1.00 65.54 N ATOM 820 CA ASN A 49 19.115 -7.696 0.303 1.00 54.04 C ATOM 821 C ASN A 49 19.650 -6.756 1.420 1.00 54.53 C ATOM 822 O ASN A 49 20.699 -6.116 1.247 1.00 61.34 O ATOM 823 CB ASN A 49 19.444 -7.115 -1.110 1.00 32.32 C ATOM 824 CG ASN A 49 19.179 -8.098 -2.251 1.00 11.14 C ATOM 825 OD1 ASN A 49 20.074 -8.818 -2.693 1.00 64.24 O ATOM 826 ND2 ASN A 49 17.945 -8.155 -2.729 1.00 34.13 N ATOM 0 H ASN A 49 17.430 -8.954 0.569 1.00 65.54 H new ATOM 0 HA ASN A 49 19.625 -8.652 0.421 1.00 54.04 H new ATOM 0 HB2 ASN A 49 18.850 -6.215 -1.271 1.00 32.32 H new ATOM 0 HB3 ASN A 49 20.492 -6.815 -1.136 1.00 32.32 H new ATOM 0 HD21 ASN A 49 17.719 -8.806 -3.481 1.00 34.13 H new ATOM 0 HD22 ASN A 49 17.221 -7.548 -2.345 1.00 34.13 H new ATOM 833 N GLY A 50 18.934 -6.693 2.568 1.00 12.24 N ATOM 834 CA GLY A 50 19.292 -5.791 3.679 1.00 24.14 C ATOM 835 C GLY A 50 18.715 -4.383 3.528 1.00 41.31 C ATOM 836 O GLY A 50 18.995 -3.510 4.355 1.00 20.21 O ATOM 0 H GLY A 50 18.104 -7.259 2.745 1.00 12.24 H new ATOM 0 HA2 GLY A 50 18.938 -6.222 4.616 1.00 24.14 H new ATOM 0 HA3 GLY A 50 20.378 -5.725 3.748 1.00 24.14 H new ATOM 840 N LYS A 51 17.935 -4.171 2.455 1.00 2.13 N ATOM 841 CA LYS A 51 17.207 -2.917 2.205 1.00 24.23 C ATOM 842 C LYS A 51 15.874 -2.960 2.966 1.00 10.13 C ATOM 843 O LYS A 51 15.111 -3.915 2.816 1.00 33.02 O ATOM 844 CB LYS A 51 16.940 -2.746 0.676 1.00 51.01 C ATOM 845 CG LYS A 51 18.218 -2.771 -0.200 1.00 11.02 C ATOM 846 CD LYS A 51 19.109 -1.506 -0.078 1.00 74.42 C ATOM 847 CE LYS A 51 18.580 -0.293 -0.878 1.00 63.32 C ATOM 848 NZ LYS A 51 17.268 0.223 -0.378 1.00 52.12 N ATOM 0 H LYS A 51 17.791 -4.873 1.729 1.00 2.13 H new ATOM 0 HA LYS A 51 17.804 -2.072 2.549 1.00 24.23 H new ATOM 0 HB2 LYS A 51 16.271 -3.540 0.345 1.00 51.01 H new ATOM 0 HB3 LYS A 51 16.420 -1.802 0.513 1.00 51.01 H new ATOM 0 HG2 LYS A 51 18.811 -3.645 0.070 1.00 11.02 H new ATOM 0 HG3 LYS A 51 17.926 -2.894 -1.243 1.00 11.02 H new ATOM 0 HD2 LYS A 51 19.190 -1.229 0.973 1.00 74.42 H new ATOM 0 HD3 LYS A 51 20.115 -1.746 -0.422 1.00 74.42 H new ATOM 0 HE2 LYS A 51 19.317 0.509 -0.837 1.00 63.32 H new ATOM 0 HE3 LYS A 51 18.475 -0.576 -1.925 1.00 63.32 H new ATOM 0 HZ1 LYS A 51 17.205 1.245 -0.559 1.00 52.12 H new ATOM 0 HZ2 LYS A 51 16.493 -0.264 -0.871 1.00 52.12 H new ATOM 0 HZ3 LYS A 51 17.193 0.047 0.644 1.00 52.12 H new ATOM 862 N LYS A 52 15.615 -1.927 3.767 1.00 51.33 N ATOM 863 CA LYS A 52 14.413 -1.816 4.601 1.00 24.41 C ATOM 864 C LYS A 52 13.885 -0.383 4.464 1.00 15.14 C ATOM 865 O LYS A 52 14.431 0.544 5.072 1.00 64.31 O ATOM 866 CB LYS A 52 14.777 -2.149 6.076 1.00 61.15 C ATOM 867 CG LYS A 52 13.621 -2.049 7.098 1.00 72.32 C ATOM 868 CD LYS A 52 14.123 -2.203 8.558 1.00 74.44 C ATOM 869 CE LYS A 52 12.996 -2.096 9.594 1.00 45.01 C ATOM 870 NZ LYS A 52 13.502 -2.180 10.989 1.00 4.32 N ATOM 0 H LYS A 52 16.244 -1.129 3.858 1.00 51.33 H new ATOM 0 HA LYS A 52 13.641 -2.518 4.285 1.00 24.41 H new ATOM 0 HB2 LYS A 52 15.180 -3.161 6.110 1.00 61.15 H new ATOM 0 HB3 LYS A 52 15.575 -1.478 6.393 1.00 61.15 H new ATOM 0 HG2 LYS A 52 13.120 -1.087 6.986 1.00 72.32 H new ATOM 0 HG3 LYS A 52 12.881 -2.821 6.885 1.00 72.32 H new ATOM 0 HD2 LYS A 52 14.618 -3.168 8.666 1.00 74.44 H new ATOM 0 HD3 LYS A 52 14.871 -1.437 8.762 1.00 74.44 H new ATOM 0 HE2 LYS A 52 12.469 -1.152 9.457 1.00 45.01 H new ATOM 0 HE3 LYS A 52 12.272 -2.893 9.424 1.00 45.01 H new ATOM 0 HZ1 LYS A 52 12.705 -2.103 11.653 1.00 4.32 H new ATOM 0 HZ2 LYS A 52 13.983 -3.091 11.130 1.00 4.32 H new ATOM 0 HZ3 LYS A 52 14.173 -1.404 11.162 1.00 4.32 H new ATOM 884 N GLU A 53 12.863 -0.203 3.606 1.00 21.24 N ATOM 885 CA GLU A 53 12.247 1.116 3.319 1.00 42.33 C ATOM 886 C GLU A 53 10.723 0.972 3.247 1.00 23.12 C ATOM 887 O GLU A 53 10.214 0.077 2.561 1.00 63.13 O ATOM 888 CB GLU A 53 12.789 1.716 1.985 1.00 34.25 C ATOM 889 CG GLU A 53 14.282 2.088 2.020 1.00 11.45 C ATOM 890 CD GLU A 53 14.815 2.633 0.689 1.00 31.23 C ATOM 891 OE1 GLU A 53 14.917 1.844 -0.273 1.00 31.43 O ATOM 892 OE2 GLU A 53 15.151 3.839 0.598 1.00 1.32 O ATOM 0 H GLU A 53 12.436 -0.970 3.087 1.00 21.24 H new ATOM 0 HA GLU A 53 12.511 1.798 4.127 1.00 42.33 H new ATOM 0 HB2 GLU A 53 12.624 0.997 1.183 1.00 34.25 H new ATOM 0 HB3 GLU A 53 12.210 2.606 1.739 1.00 34.25 H new ATOM 0 HG2 GLU A 53 14.443 2.834 2.798 1.00 11.45 H new ATOM 0 HG3 GLU A 53 14.860 1.207 2.299 1.00 11.45 H new ATOM 899 N ASN A 54 10.012 1.857 3.963 1.00 51.31 N ATOM 900 CA ASN A 54 8.539 1.890 3.978 1.00 12.04 C ATOM 901 C ASN A 54 8.002 2.679 2.769 1.00 11.02 C ATOM 902 O ASN A 54 8.408 3.813 2.523 1.00 2.24 O ATOM 903 CB ASN A 54 8.015 2.502 5.309 1.00 53.31 C ATOM 904 CG ASN A 54 8.193 1.562 6.508 1.00 14.11 C ATOM 905 OD1 ASN A 54 7.301 0.785 6.838 1.00 22.33 O ATOM 906 ND2 ASN A 54 9.345 1.609 7.158 1.00 40.23 N ATOM 0 H ASN A 54 10.442 2.572 4.550 1.00 51.31 H new ATOM 0 HA ASN A 54 8.174 0.865 3.908 1.00 12.04 H new ATOM 0 HB2 ASN A 54 8.540 3.437 5.505 1.00 53.31 H new ATOM 0 HB3 ASN A 54 6.959 2.747 5.199 1.00 53.31 H new ATOM 0 HD21 ASN A 54 9.508 0.991 7.953 1.00 40.23 H new ATOM 0 HD22 ASN A 54 10.070 2.263 6.864 1.00 40.23 H new ATOM 913 N TYR A 55 7.092 2.053 2.013 1.00 44.54 N ATOM 914 CA TYR A 55 6.412 2.669 0.874 1.00 43.14 C ATOM 915 C TYR A 55 4.960 2.981 1.257 1.00 35.33 C ATOM 916 O TYR A 55 4.194 2.077 1.610 1.00 10.14 O ATOM 917 CB TYR A 55 6.438 1.714 -0.350 1.00 72.44 C ATOM 918 CG TYR A 55 7.817 1.538 -1.017 1.00 43.15 C ATOM 919 CD1 TYR A 55 8.024 1.932 -2.339 1.00 21.25 C ATOM 920 CD2 TYR A 55 8.896 0.967 -0.334 1.00 15.41 C ATOM 921 CE1 TYR A 55 9.249 1.766 -2.954 1.00 41.23 C ATOM 922 CE2 TYR A 55 10.125 0.808 -0.942 1.00 13.33 C ATOM 923 CZ TYR A 55 10.296 1.202 -2.252 1.00 24.34 C ATOM 924 OH TYR A 55 11.522 1.034 -2.861 1.00 4.30 O ATOM 0 H TYR A 55 6.805 1.089 2.181 1.00 44.54 H new ATOM 0 HA TYR A 55 6.927 3.592 0.608 1.00 43.14 H new ATOM 0 HB2 TYR A 55 6.077 0.735 -0.034 1.00 72.44 H new ATOM 0 HB3 TYR A 55 5.736 2.087 -1.096 1.00 72.44 H new ATOM 0 HD1 TYR A 55 7.210 2.376 -2.893 1.00 21.25 H new ATOM 0 HD2 TYR A 55 8.765 0.644 0.688 1.00 15.41 H new ATOM 0 HE1 TYR A 55 9.388 2.076 -3.979 1.00 41.23 H new ATOM 0 HE2 TYR A 55 10.949 0.377 -0.394 1.00 13.33 H new ATOM 0 HH TYR A 55 12.148 0.625 -2.228 1.00 4.30 H new ATOM 934 N THR A 56 4.617 4.263 1.186 1.00 24.31 N ATOM 935 CA THR A 56 3.263 4.770 1.351 1.00 12.11 C ATOM 936 C THR A 56 2.549 4.725 -0.006 1.00 11.55 C ATOM 937 O THR A 56 2.779 5.573 -0.880 1.00 22.34 O ATOM 938 CB THR A 56 3.317 6.225 1.912 1.00 31.05 C ATOM 939 OG1 THR A 56 3.925 6.200 3.201 1.00 2.54 O ATOM 940 CG2 THR A 56 1.934 6.893 2.013 1.00 62.32 C ATOM 0 H THR A 56 5.298 5.001 1.006 1.00 24.31 H new ATOM 0 HA THR A 56 2.709 4.154 2.059 1.00 12.11 H new ATOM 0 HB THR A 56 3.901 6.819 1.209 1.00 31.05 H new ATOM 0 HG1 THR A 56 3.965 7.110 3.561 1.00 2.54 H new ATOM 0 HG21 THR A 56 2.045 7.902 2.410 1.00 62.32 H new ATOM 0 HG22 THR A 56 1.480 6.941 1.023 1.00 62.32 H new ATOM 0 HG23 THR A 56 1.296 6.310 2.677 1.00 62.32 H new ATOM 948 N VAL A 57 1.703 3.712 -0.174 1.00 34.23 N ATOM 949 CA VAL A 57 0.917 3.510 -1.389 1.00 34.20 C ATOM 950 C VAL A 57 -0.453 4.178 -1.198 1.00 13.14 C ATOM 951 O VAL A 57 -1.298 3.684 -0.435 1.00 44.55 O ATOM 952 CB VAL A 57 0.745 1.980 -1.725 1.00 3.42 C ATOM 953 CG1 VAL A 57 -0.012 1.776 -3.063 1.00 45.23 C ATOM 954 CG2 VAL A 57 2.111 1.249 -1.737 1.00 63.24 C ATOM 0 H VAL A 57 1.542 3.000 0.538 1.00 34.23 H new ATOM 0 HA VAL A 57 1.442 3.961 -2.231 1.00 34.20 H new ATOM 0 HB VAL A 57 0.140 1.538 -0.934 1.00 3.42 H new ATOM 0 HG11 VAL A 57 -0.113 0.710 -3.265 1.00 45.23 H new ATOM 0 HG12 VAL A 57 -1.001 2.228 -2.994 1.00 45.23 H new ATOM 0 HG13 VAL A 57 0.546 2.247 -3.872 1.00 45.23 H new ATOM 0 HG21 VAL A 57 1.958 0.196 -1.972 1.00 63.24 H new ATOM 0 HG22 VAL A 57 2.758 1.699 -2.491 1.00 63.24 H new ATOM 0 HG23 VAL A 57 2.580 1.338 -0.757 1.00 63.24 H new ATOM 964 N GLU A 58 -0.631 5.327 -1.860 1.00 52.01 N ATOM 965 CA GLU A 58 -1.883 6.093 -1.844 1.00 34.33 C ATOM 966 C GLU A 58 -2.885 5.420 -2.788 1.00 14.45 C ATOM 967 O GLU A 58 -2.651 5.374 -3.997 1.00 43.04 O ATOM 968 CB GLU A 58 -1.619 7.548 -2.311 1.00 15.23 C ATOM 969 CG GLU A 58 -0.509 8.274 -1.532 1.00 61.25 C ATOM 970 CD GLU A 58 -0.261 9.692 -2.055 1.00 1.41 C ATOM 971 OE1 GLU A 58 0.630 9.872 -2.913 1.00 50.24 O ATOM 972 OE2 GLU A 58 -0.965 10.632 -1.620 1.00 34.35 O ATOM 0 H GLU A 58 0.099 5.756 -2.429 1.00 52.01 H new ATOM 0 HA GLU A 58 -2.286 6.118 -0.831 1.00 34.33 H new ATOM 0 HB2 GLU A 58 -1.355 7.535 -3.368 1.00 15.23 H new ATOM 0 HB3 GLU A 58 -2.543 8.119 -2.220 1.00 15.23 H new ATOM 0 HG2 GLU A 58 -0.780 8.321 -0.477 1.00 61.25 H new ATOM 0 HG3 GLU A 58 0.414 7.698 -1.599 1.00 61.25 H new ATOM 979 N VAL A 59 -3.957 4.847 -2.226 1.00 33.14 N ATOM 980 CA VAL A 59 -5.030 4.200 -3.006 1.00 33.34 C ATOM 981 C VAL A 59 -6.377 4.845 -2.618 1.00 2.20 C ATOM 982 O VAL A 59 -6.825 4.718 -1.474 1.00 10.15 O ATOM 983 CB VAL A 59 -5.095 2.645 -2.755 1.00 4.31 C ATOM 984 CG1 VAL A 59 -6.055 1.948 -3.745 1.00 33.24 C ATOM 985 CG2 VAL A 59 -3.691 1.983 -2.767 1.00 25.43 C ATOM 0 H VAL A 59 -4.109 4.817 -1.218 1.00 33.14 H new ATOM 0 HA VAL A 59 -4.819 4.347 -4.065 1.00 33.34 H new ATOM 0 HB VAL A 59 -5.498 2.510 -1.751 1.00 4.31 H new ATOM 0 HG11 VAL A 59 -6.074 0.877 -3.541 1.00 33.24 H new ATOM 0 HG12 VAL A 59 -7.058 2.357 -3.628 1.00 33.24 H new ATOM 0 HG13 VAL A 59 -5.711 2.117 -4.765 1.00 33.24 H new ATOM 0 HG21 VAL A 59 -3.792 0.912 -2.589 1.00 25.43 H new ATOM 0 HG22 VAL A 59 -3.220 2.147 -3.736 1.00 25.43 H new ATOM 0 HG23 VAL A 59 -3.074 2.424 -1.984 1.00 25.43 H new ATOM 995 N GLU A 60 -7.014 5.520 -3.576 1.00 41.12 N ATOM 996 CA GLU A 60 -8.270 6.260 -3.368 1.00 25.02 C ATOM 997 C GLU A 60 -9.462 5.437 -3.878 1.00 41.21 C ATOM 998 O GLU A 60 -9.325 4.656 -4.826 1.00 11.04 O ATOM 999 CB GLU A 60 -8.187 7.599 -4.135 1.00 52.12 C ATOM 1000 CG GLU A 60 -9.494 8.424 -4.179 1.00 72.53 C ATOM 1001 CD GLU A 60 -9.440 9.587 -5.167 1.00 74.34 C ATOM 1002 OE1 GLU A 60 -9.640 10.749 -4.766 1.00 2.13 O ATOM 1003 OE2 GLU A 60 -9.194 9.339 -6.368 1.00 61.44 O ATOM 0 H GLU A 60 -6.670 5.572 -4.535 1.00 41.12 H new ATOM 0 HA GLU A 60 -8.413 6.449 -2.304 1.00 25.02 H new ATOM 0 HB2 GLU A 60 -7.407 8.210 -3.680 1.00 52.12 H new ATOM 0 HB3 GLU A 60 -7.874 7.392 -5.158 1.00 52.12 H new ATOM 0 HG2 GLU A 60 -10.322 7.767 -4.446 1.00 72.53 H new ATOM 0 HG3 GLU A 60 -9.704 8.812 -3.182 1.00 72.53 H new ATOM 1010 N ARG A 61 -10.628 5.605 -3.222 1.00 11.55 N ATOM 1011 CA ARG A 61 -11.877 4.959 -3.631 1.00 3.52 C ATOM 1012 C ARG A 61 -12.512 5.763 -4.781 1.00 0.22 C ATOM 1013 O ARG A 61 -12.893 6.926 -4.605 1.00 22.52 O ATOM 1014 CB ARG A 61 -12.851 4.837 -2.422 1.00 33.15 C ATOM 1015 CG ARG A 61 -14.100 3.963 -2.686 1.00 33.43 C ATOM 1016 CD ARG A 61 -13.764 2.554 -3.262 1.00 21.42 C ATOM 1017 NE ARG A 61 -14.254 1.447 -2.425 1.00 1.51 N ATOM 1018 CZ ARG A 61 -14.409 0.180 -2.853 1.00 25.04 C ATOM 1019 NH1 ARG A 61 -14.131 -0.158 -4.112 1.00 71.31 N ATOM 1020 NH2 ARG A 61 -14.772 -0.763 -2.005 1.00 73.12 N ATOM 0 H ARG A 61 -10.723 6.194 -2.395 1.00 11.55 H new ATOM 0 HA ARG A 61 -11.666 3.949 -3.984 1.00 3.52 H new ATOM 0 HB2 ARG A 61 -12.306 4.422 -1.574 1.00 33.15 H new ATOM 0 HB3 ARG A 61 -13.177 5.836 -2.133 1.00 33.15 H new ATOM 0 HG2 ARG A 61 -14.653 3.843 -1.754 1.00 33.43 H new ATOM 0 HG3 ARG A 61 -14.757 4.484 -3.382 1.00 33.43 H new ATOM 0 HD2 ARG A 61 -14.196 2.465 -4.259 1.00 21.42 H new ATOM 0 HD3 ARG A 61 -12.684 2.464 -3.374 1.00 21.42 H new ATOM 0 HE ARG A 61 -14.492 1.654 -1.455 1.00 1.51 H new ATOM 0 HH11 ARG A 61 -13.795 0.548 -4.767 1.00 71.31 H new ATOM 0 HH12 ARG A 61 -14.254 -1.123 -4.420 1.00 71.31 H new ATOM 0 HH21 ARG A 61 -14.935 -0.532 -1.025 1.00 73.12 H new ATOM 0 HH22 ARG A 61 -14.889 -1.723 -2.329 1.00 73.12 H new ATOM 1034 N GLN A 62 -12.574 5.142 -5.964 1.00 12.22 N ATOM 1035 CA GLN A 62 -13.182 5.720 -7.172 1.00 34.34 C ATOM 1036 C GLN A 62 -14.334 4.806 -7.616 1.00 65.15 C ATOM 1037 O GLN A 62 -14.134 3.861 -8.394 1.00 25.33 O ATOM 1038 CB GLN A 62 -12.100 5.886 -8.283 1.00 44.13 C ATOM 1039 CG GLN A 62 -12.520 6.715 -9.527 1.00 45.30 C ATOM 1040 CD GLN A 62 -12.790 8.214 -9.255 1.00 60.41 C ATOM 1041 OE1 GLN A 62 -13.248 8.613 -8.182 1.00 44.31 O ATOM 1042 NE2 GLN A 62 -12.504 9.059 -10.243 1.00 4.31 N ATOM 0 H GLN A 62 -12.197 4.206 -6.114 1.00 12.22 H new ATOM 0 HA GLN A 62 -13.584 6.713 -6.969 1.00 34.34 H new ATOM 0 HB2 GLN A 62 -11.222 6.354 -7.839 1.00 44.13 H new ATOM 0 HB3 GLN A 62 -11.797 4.894 -8.618 1.00 44.13 H new ATOM 0 HG2 GLN A 62 -11.736 6.634 -10.280 1.00 45.30 H new ATOM 0 HG3 GLN A 62 -13.420 6.271 -9.954 1.00 45.30 H new ATOM 0 HE21 GLN A 62 -12.126 8.706 -11.122 1.00 4.31 H new ATOM 0 HE22 GLN A 62 -12.663 10.059 -10.121 1.00 4.31 H new ATOM 1051 N GLY A 63 -15.526 5.048 -7.040 1.00 32.02 N ATOM 1052 CA GLY A 63 -16.699 4.209 -7.287 1.00 40.35 C ATOM 1053 C GLY A 63 -16.533 2.815 -6.680 1.00 5.21 C ATOM 1054 O GLY A 63 -16.100 2.683 -5.528 1.00 61.14 O ATOM 0 H GLY A 63 -15.696 5.823 -6.399 1.00 32.02 H new ATOM 0 HA2 GLY A 63 -17.584 4.687 -6.866 1.00 40.35 H new ATOM 0 HA3 GLY A 63 -16.865 4.121 -8.361 1.00 40.35 H new ATOM 1058 N ASN A 64 -16.835 1.780 -7.469 1.00 21.31 N ATOM 1059 CA ASN A 64 -16.713 0.362 -7.050 1.00 44.22 C ATOM 1060 C ASN A 64 -15.255 -0.142 -7.154 1.00 55.13 C ATOM 1061 O ASN A 64 -14.974 -1.286 -6.772 1.00 15.43 O ATOM 1062 CB ASN A 64 -17.645 -0.550 -7.904 1.00 42.21 C ATOM 1063 CG ASN A 64 -19.144 -0.301 -7.690 1.00 53.41 C ATOM 1064 OD1 ASN A 64 -19.579 0.811 -7.382 1.00 33.53 O ATOM 1065 ND2 ASN A 64 -19.948 -1.341 -7.842 1.00 41.35 N ATOM 0 H ASN A 64 -17.174 1.893 -8.424 1.00 21.31 H new ATOM 0 HA ASN A 64 -17.019 0.310 -6.005 1.00 44.22 H new ATOM 0 HB2 ASN A 64 -17.411 -0.402 -8.958 1.00 42.21 H new ATOM 0 HB3 ASN A 64 -17.425 -1.592 -7.672 1.00 42.21 H new ATOM 0 HD21 ASN A 64 -20.953 -1.233 -7.704 1.00 41.35 H new ATOM 0 HD22 ASN A 64 -19.563 -2.250 -8.097 1.00 41.35 H new ATOM 1072 N THR A 65 -14.323 0.714 -7.635 1.00 21.02 N ATOM 1073 CA THR A 65 -12.916 0.329 -7.862 1.00 74.45 C ATOM 1074 C THR A 65 -11.981 1.108 -6.913 1.00 63.21 C ATOM 1075 O THR A 65 -12.309 2.221 -6.484 1.00 74.30 O ATOM 1076 CB THR A 65 -12.494 0.582 -9.357 1.00 14.50 C ATOM 1077 OG1 THR A 65 -12.596 1.982 -9.684 1.00 25.24 O ATOM 1078 CG2 THR A 65 -13.367 -0.225 -10.337 1.00 41.02 C ATOM 0 H THR A 65 -14.527 1.684 -7.874 1.00 21.02 H new ATOM 0 HA THR A 65 -12.825 -0.737 -7.653 1.00 74.45 H new ATOM 0 HB THR A 65 -11.459 0.254 -9.456 1.00 14.50 H new ATOM 0 HG1 THR A 65 -13.152 2.434 -9.016 1.00 25.24 H new ATOM 0 HG21 THR A 65 -13.046 -0.025 -11.359 1.00 41.02 H new ATOM 0 HG22 THR A 65 -13.263 -1.289 -10.126 1.00 41.02 H new ATOM 0 HG23 THR A 65 -14.411 0.067 -10.220 1.00 41.02 H new ATOM 1086 N TRP A 66 -10.840 0.490 -6.565 1.00 13.55 N ATOM 1087 CA TRP A 66 -9.720 1.153 -5.872 1.00 11.40 C ATOM 1088 C TRP A 66 -8.657 1.547 -6.911 1.00 4.30 C ATOM 1089 O TRP A 66 -8.130 0.682 -7.619 1.00 64.31 O ATOM 1090 CB TRP A 66 -9.111 0.214 -4.790 1.00 71.30 C ATOM 1091 CG TRP A 66 -9.992 0.037 -3.575 1.00 22.31 C ATOM 1092 CD1 TRP A 66 -10.764 -1.043 -3.255 1.00 23.51 C ATOM 1093 CD2 TRP A 66 -10.199 0.996 -2.524 1.00 10.13 C ATOM 1094 NE1 TRP A 66 -11.425 -0.815 -2.080 1.00 42.54 N ATOM 1095 CE2 TRP A 66 -11.101 0.423 -1.613 1.00 20.11 C ATOM 1096 CE3 TRP A 66 -9.712 2.283 -2.266 1.00 75.42 C ATOM 1097 CZ2 TRP A 66 -11.524 1.082 -0.469 1.00 41.32 C ATOM 1098 CZ3 TRP A 66 -10.137 2.941 -1.127 1.00 44.11 C ATOM 1099 CH2 TRP A 66 -11.040 2.337 -0.243 1.00 13.13 C ATOM 0 H TRP A 66 -10.666 -0.496 -6.759 1.00 13.55 H new ATOM 0 HA TRP A 66 -10.083 2.048 -5.366 1.00 11.40 H new ATOM 0 HB2 TRP A 66 -8.920 -0.763 -5.235 1.00 71.30 H new ATOM 0 HB3 TRP A 66 -8.148 0.615 -4.474 1.00 71.30 H new ATOM 0 HD1 TRP A 66 -10.841 -1.945 -3.844 1.00 23.51 H new ATOM 0 HE1 TRP A 66 -12.061 -1.469 -1.624 1.00 42.54 H new ATOM 0 HE3 TRP A 66 -9.016 2.754 -2.945 1.00 75.42 H new ATOM 0 HZ2 TRP A 66 -12.214 0.617 0.220 1.00 41.32 H new ATOM 0 HZ3 TRP A 66 -9.768 3.934 -0.916 1.00 44.11 H new ATOM 0 HH2 TRP A 66 -11.360 2.876 0.636 1.00 13.13 H new ATOM 1110 N THR A 67 -8.377 2.856 -7.023 1.00 42.14 N ATOM 1111 CA THR A 67 -7.364 3.393 -7.947 1.00 34.55 C ATOM 1112 C THR A 67 -6.085 3.766 -7.165 1.00 72.00 C ATOM 1113 O THR A 67 -6.132 4.558 -6.210 1.00 55.22 O ATOM 1114 CB THR A 67 -7.923 4.622 -8.765 1.00 44.50 C ATOM 1115 OG1 THR A 67 -6.922 5.098 -9.685 1.00 33.31 O ATOM 1116 CG2 THR A 67 -8.408 5.787 -7.865 1.00 14.13 C ATOM 0 H THR A 67 -8.849 3.574 -6.473 1.00 42.14 H new ATOM 0 HA THR A 67 -7.111 2.620 -8.673 1.00 34.55 H new ATOM 0 HB THR A 67 -8.795 4.262 -9.310 1.00 44.50 H new ATOM 0 HG1 THR A 67 -7.277 5.859 -10.190 1.00 33.31 H new ATOM 0 HG21 THR A 67 -8.780 6.599 -8.490 1.00 14.13 H new ATOM 0 HG22 THR A 67 -9.208 5.435 -7.214 1.00 14.13 H new ATOM 0 HG23 THR A 67 -7.578 6.147 -7.258 1.00 14.13 H new ATOM 1124 N VAL A 68 -4.944 3.150 -7.539 1.00 75.22 N ATOM 1125 CA VAL A 68 -3.637 3.463 -6.937 1.00 51.12 C ATOM 1126 C VAL A 68 -3.140 4.796 -7.517 1.00 20.52 C ATOM 1127 O VAL A 68 -2.777 4.872 -8.700 1.00 54.10 O ATOM 1128 CB VAL A 68 -2.574 2.322 -7.174 1.00 74.24 C ATOM 1129 CG1 VAL A 68 -1.226 2.652 -6.480 1.00 31.03 C ATOM 1130 CG2 VAL A 68 -3.123 0.951 -6.704 1.00 41.51 C ATOM 0 H VAL A 68 -4.905 2.429 -8.260 1.00 75.22 H new ATOM 0 HA VAL A 68 -3.764 3.542 -5.857 1.00 51.12 H new ATOM 0 HB VAL A 68 -2.384 2.261 -8.246 1.00 74.24 H new ATOM 0 HG11 VAL A 68 -0.516 1.846 -6.663 1.00 31.03 H new ATOM 0 HG12 VAL A 68 -0.828 3.584 -6.882 1.00 31.03 H new ATOM 0 HG13 VAL A 68 -1.386 2.758 -5.407 1.00 31.03 H new ATOM 0 HG21 VAL A 68 -2.373 0.180 -6.877 1.00 41.51 H new ATOM 0 HG22 VAL A 68 -3.356 0.998 -5.640 1.00 41.51 H new ATOM 0 HG23 VAL A 68 -4.027 0.710 -7.263 1.00 41.51 H new ATOM 1140 N LYS A 69 -3.191 5.847 -6.682 1.00 44.10 N ATOM 1141 CA LYS A 69 -2.773 7.197 -7.064 1.00 61.11 C ATOM 1142 C LYS A 69 -1.260 7.221 -7.356 1.00 22.12 C ATOM 1143 O LYS A 69 -0.840 7.566 -8.472 1.00 11.24 O ATOM 1144 CB LYS A 69 -3.127 8.221 -5.942 1.00 1.51 C ATOM 1145 CG LYS A 69 -4.606 8.206 -5.487 1.00 41.43 C ATOM 1146 CD LYS A 69 -5.632 8.510 -6.611 1.00 61.35 C ATOM 1147 CE LYS A 69 -5.594 9.960 -7.146 1.00 33.33 C ATOM 1148 NZ LYS A 69 -4.532 10.173 -8.177 1.00 33.10 N ATOM 0 H LYS A 69 -3.525 5.779 -5.721 1.00 44.10 H new ATOM 0 HA LYS A 69 -3.310 7.483 -7.969 1.00 61.11 H new ATOM 0 HB2 LYS A 69 -2.494 8.023 -5.077 1.00 1.51 H new ATOM 0 HB3 LYS A 69 -2.881 9.223 -6.294 1.00 1.51 H new ATOM 0 HG2 LYS A 69 -4.832 7.228 -5.062 1.00 41.43 H new ATOM 0 HG3 LYS A 69 -4.734 8.937 -4.689 1.00 41.43 H new ATOM 0 HD2 LYS A 69 -5.454 7.826 -7.441 1.00 61.35 H new ATOM 0 HD3 LYS A 69 -6.634 8.302 -6.236 1.00 61.35 H new ATOM 0 HE2 LYS A 69 -6.565 10.209 -7.575 1.00 33.33 H new ATOM 0 HE3 LYS A 69 -5.428 10.644 -6.314 1.00 33.33 H new ATOM 0 HZ1 LYS A 69 -4.882 10.826 -8.907 1.00 33.10 H new ATOM 0 HZ2 LYS A 69 -3.687 10.579 -7.726 1.00 33.10 H new ATOM 0 HZ3 LYS A 69 -4.287 9.263 -8.616 1.00 33.10 H new ATOM 1162 N ARG A 70 -0.456 6.806 -6.352 1.00 22.43 N ATOM 1163 CA ARG A 70 1.009 6.743 -6.480 1.00 15.33 C ATOM 1164 C ARG A 70 1.622 5.945 -5.311 1.00 53.01 C ATOM 1165 O ARG A 70 1.231 6.126 -4.149 1.00 44.04 O ATOM 1166 CB ARG A 70 1.615 8.176 -6.547 1.00 75.24 C ATOM 1167 CG ARG A 70 3.128 8.227 -6.866 1.00 21.13 C ATOM 1168 CD ARG A 70 3.638 9.661 -7.080 1.00 13.11 C ATOM 1169 NE ARG A 70 5.079 9.712 -7.386 1.00 41.44 N ATOM 1170 CZ ARG A 70 5.876 10.772 -7.174 1.00 60.05 C ATOM 1171 NH1 ARG A 70 5.390 11.895 -6.638 1.00 72.00 N ATOM 1172 NH2 ARG A 70 7.156 10.716 -7.510 1.00 34.10 N ATOM 0 H ARG A 70 -0.804 6.509 -5.440 1.00 22.43 H new ATOM 0 HA ARG A 70 1.251 6.227 -7.409 1.00 15.33 H new ATOM 0 HB2 ARG A 70 1.079 8.747 -7.305 1.00 75.24 H new ATOM 0 HB3 ARG A 70 1.442 8.673 -5.592 1.00 75.24 H new ATOM 0 HG2 ARG A 70 3.684 7.766 -6.050 1.00 21.13 H new ATOM 0 HG3 ARG A 70 3.327 7.637 -7.761 1.00 21.13 H new ATOM 0 HD2 ARG A 70 3.081 10.123 -7.895 1.00 13.11 H new ATOM 0 HD3 ARG A 70 3.440 10.250 -6.185 1.00 13.11 H new ATOM 0 HE ARG A 70 5.504 8.877 -7.790 1.00 41.44 H new ATOM 0 HH11 ARG A 70 4.404 11.954 -6.385 1.00 72.00 H new ATOM 0 HH12 ARG A 70 6.005 12.693 -6.482 1.00 72.00 H new ATOM 0 HH21 ARG A 70 7.536 9.868 -7.930 1.00 34.10 H new ATOM 0 HH22 ARG A 70 7.761 11.521 -7.349 1.00 34.10 H new ATOM 1186 N ILE A 71 2.584 5.068 -5.647 1.00 73.41 N ATOM 1187 CA ILE A 71 3.411 4.341 -4.673 1.00 73.01 C ATOM 1188 C ILE A 71 4.624 5.228 -4.336 1.00 41.32 C ATOM 1189 O ILE A 71 5.539 5.385 -5.149 1.00 64.13 O ATOM 1190 CB ILE A 71 3.905 2.961 -5.259 1.00 43.22 C ATOM 1191 CG1 ILE A 71 2.692 2.080 -5.679 1.00 14.14 C ATOM 1192 CG2 ILE A 71 4.833 2.210 -4.268 1.00 35.22 C ATOM 1193 CD1 ILE A 71 3.057 0.774 -6.356 1.00 60.33 C ATOM 0 H ILE A 71 2.810 4.843 -6.616 1.00 73.41 H new ATOM 0 HA ILE A 71 2.822 4.126 -3.781 1.00 73.01 H new ATOM 0 HB ILE A 71 4.499 3.172 -6.148 1.00 43.22 H new ATOM 0 HG12 ILE A 71 2.097 1.859 -4.793 1.00 14.14 H new ATOM 0 HG13 ILE A 71 2.058 2.657 -6.352 1.00 14.14 H new ATOM 0 HG21 ILE A 71 5.150 1.266 -4.711 1.00 35.22 H new ATOM 0 HG22 ILE A 71 5.709 2.823 -4.054 1.00 35.22 H new ATOM 0 HG23 ILE A 71 4.293 2.013 -3.342 1.00 35.22 H new ATOM 0 HD11 ILE A 71 2.148 0.230 -6.611 1.00 60.33 H new ATOM 0 HD12 ILE A 71 3.623 0.981 -7.264 1.00 60.33 H new ATOM 0 HD13 ILE A 71 3.663 0.171 -5.680 1.00 60.33 H new ATOM 1205 N THR A 72 4.606 5.815 -3.145 1.00 73.33 N ATOM 1206 CA THR A 72 5.614 6.784 -2.710 1.00 3.11 C ATOM 1207 C THR A 72 6.533 6.134 -1.666 1.00 21.24 C ATOM 1208 O THR A 72 6.075 5.759 -0.591 1.00 75.41 O ATOM 1209 CB THR A 72 4.918 8.044 -2.104 1.00 75.54 C ATOM 1210 OG1 THR A 72 3.894 8.509 -3.007 1.00 4.02 O ATOM 1211 CG2 THR A 72 5.917 9.187 -1.819 1.00 73.23 C ATOM 0 H THR A 72 3.886 5.632 -2.445 1.00 73.33 H new ATOM 0 HA THR A 72 6.210 7.094 -3.568 1.00 3.11 H new ATOM 0 HB THR A 72 4.479 7.750 -1.151 1.00 75.54 H new ATOM 0 HG1 THR A 72 3.456 9.299 -2.626 1.00 4.02 H new ATOM 0 HG21 THR A 72 5.384 10.040 -1.399 1.00 73.23 H new ATOM 0 HG22 THR A 72 6.670 8.844 -1.109 1.00 73.23 H new ATOM 0 HG23 THR A 72 6.403 9.485 -2.748 1.00 73.23 H new ATOM 1219 N ARG A 73 7.821 5.983 -2.001 1.00 54.14 N ATOM 1220 CA ARG A 73 8.850 5.534 -1.049 1.00 63.54 C ATOM 1221 C ARG A 73 9.093 6.631 0.014 1.00 13.51 C ATOM 1222 O ARG A 73 8.914 7.825 -0.266 1.00 42.31 O ATOM 1223 CB ARG A 73 10.176 5.212 -1.794 1.00 23.52 C ATOM 1224 CG ARG A 73 11.310 4.662 -0.888 1.00 13.43 C ATOM 1225 CD ARG A 73 12.689 4.655 -1.561 1.00 44.13 C ATOM 1226 NE ARG A 73 12.797 3.681 -2.658 1.00 71.52 N ATOM 1227 CZ ARG A 73 13.958 3.225 -3.168 1.00 24.50 C ATOM 1228 NH1 ARG A 73 15.133 3.638 -2.689 1.00 24.21 N ATOM 1229 NH2 ARG A 73 13.930 2.339 -4.154 1.00 53.12 N ATOM 0 H ARG A 73 8.180 6.168 -2.938 1.00 54.14 H new ATOM 0 HA ARG A 73 8.501 4.627 -0.556 1.00 63.54 H new ATOM 0 HB2 ARG A 73 9.969 4.483 -2.578 1.00 23.52 H new ATOM 0 HB3 ARG A 73 10.530 6.118 -2.287 1.00 23.52 H new ATOM 0 HG2 ARG A 73 11.362 5.263 0.020 1.00 13.43 H new ATOM 0 HG3 ARG A 73 11.059 3.646 -0.583 1.00 13.43 H new ATOM 0 HD2 ARG A 73 12.902 5.652 -1.947 1.00 44.13 H new ATOM 0 HD3 ARG A 73 13.450 4.434 -0.812 1.00 44.13 H new ATOM 0 HE ARG A 73 11.931 3.325 -3.062 1.00 71.52 H new ATOM 0 HH11 ARG A 73 15.163 4.311 -1.923 1.00 24.21 H new ATOM 0 HH12 ARG A 73 16.001 3.281 -3.089 1.00 24.21 H new ATOM 0 HH21 ARG A 73 13.036 2.010 -4.519 1.00 53.12 H new ATOM 0 HH22 ARG A 73 14.802 1.987 -4.548 1.00 53.12 H new ATOM 1243 N THR A 74 9.473 6.207 1.232 1.00 52.45 N ATOM 1244 CA THR A 74 10.003 7.097 2.282 1.00 23.12 C ATOM 1245 C THR A 74 11.277 7.810 1.783 1.00 2.33 C ATOM 1246 O THR A 74 11.977 7.285 0.899 1.00 53.11 O ATOM 1247 CB THR A 74 10.344 6.284 3.587 1.00 65.13 C ATOM 1248 OG1 THR A 74 10.898 7.153 4.590 1.00 73.51 O ATOM 1249 CG2 THR A 74 11.331 5.122 3.320 1.00 70.24 C ATOM 0 H THR A 74 9.421 5.229 1.518 1.00 52.45 H new ATOM 0 HA THR A 74 9.236 7.836 2.514 1.00 23.12 H new ATOM 0 HB THR A 74 9.407 5.854 3.940 1.00 65.13 H new ATOM 0 HG1 THR A 74 11.103 6.634 5.395 1.00 73.51 H new ATOM 0 HG21 THR A 74 11.532 4.594 4.252 1.00 70.24 H new ATOM 0 HG22 THR A 74 10.893 4.431 2.599 1.00 70.24 H new ATOM 0 HG23 THR A 74 12.263 5.521 2.920 1.00 70.24 H new ATOM 1257 N VAL A 75 11.580 8.996 2.339 1.00 11.22 N ATOM 1258 CA VAL A 75 12.825 9.709 2.028 1.00 32.43 C ATOM 1259 C VAL A 75 14.033 8.879 2.549 1.00 21.15 C ATOM 1260 O VAL A 75 14.328 8.843 3.751 1.00 50.15 O ATOM 1261 CB VAL A 75 12.826 11.197 2.579 1.00 44.24 C ATOM 1262 CG1 VAL A 75 12.469 11.287 4.083 1.00 41.22 C ATOM 1263 CG2 VAL A 75 14.168 11.904 2.276 1.00 34.30 C ATOM 0 H VAL A 75 10.978 9.479 3.006 1.00 11.22 H new ATOM 0 HA VAL A 75 12.911 9.808 0.946 1.00 32.43 H new ATOM 0 HB VAL A 75 12.034 11.723 2.046 1.00 44.24 H new ATOM 0 HG11 VAL A 75 12.487 12.330 4.399 1.00 41.22 H new ATOM 0 HG12 VAL A 75 11.473 10.875 4.246 1.00 41.22 H new ATOM 0 HG13 VAL A 75 13.196 10.719 4.664 1.00 41.22 H new ATOM 0 HG21 VAL A 75 14.139 12.922 2.665 1.00 34.30 H new ATOM 0 HG22 VAL A 75 14.983 11.357 2.750 1.00 34.30 H new ATOM 0 HG23 VAL A 75 14.329 11.932 1.198 1.00 34.30 H new ATOM 1273 N GLY A 76 14.673 8.162 1.610 1.00 32.01 N ATOM 1274 CA GLY A 76 15.819 7.291 1.893 1.00 21.45 C ATOM 1275 C GLY A 76 16.913 7.433 0.847 1.00 13.44 C ATOM 1276 O GLY A 76 18.066 7.079 1.106 1.00 51.42 O ATOM 0 H GLY A 76 14.405 8.173 0.626 1.00 32.01 H new ATOM 0 HA2 GLY A 76 16.224 7.532 2.876 1.00 21.45 H new ATOM 0 HA3 GLY A 76 15.486 6.254 1.931 1.00 21.45 H new ATOM 1280 N SER A 77 16.546 7.937 -0.349 1.00 14.45 N ATOM 1281 CA SER A 77 17.502 8.212 -1.427 1.00 14.13 C ATOM 1282 C SER A 77 18.391 9.400 -1.034 1.00 54.01 C ATOM 1283 O SER A 77 17.879 10.445 -0.614 1.00 33.41 O ATOM 1284 CB SER A 77 16.761 8.501 -2.751 1.00 63.24 C ATOM 1285 OG SER A 77 17.669 8.703 -3.819 1.00 33.51 O ATOM 0 H SER A 77 15.580 8.162 -0.589 1.00 14.45 H new ATOM 0 HA SER A 77 18.129 7.334 -1.579 1.00 14.13 H new ATOM 0 HB2 SER A 77 16.098 7.669 -2.988 1.00 63.24 H new ATOM 0 HB3 SER A 77 16.134 9.384 -2.633 1.00 63.24 H new ATOM 0 HG SER A 77 17.170 8.882 -4.643 1.00 33.51 H new ATOM 1291 N LEU A 78 19.720 9.221 -1.161 1.00 5.53 N ATOM 1292 CA LEU A 78 20.722 10.252 -0.824 1.00 3.41 C ATOM 1293 C LEU A 78 20.520 11.520 -1.680 1.00 51.54 C ATOM 1294 O LEU A 78 20.622 12.645 -1.172 1.00 52.13 O ATOM 1295 CB LEU A 78 22.159 9.692 -1.030 1.00 3.44 C ATOM 1296 CG LEU A 78 23.347 10.684 -0.760 1.00 20.33 C ATOM 1297 CD1 LEU A 78 23.372 11.159 0.709 1.00 53.51 C ATOM 1298 CD2 LEU A 78 24.698 10.066 -1.179 1.00 43.43 C ATOM 0 H LEU A 78 20.131 8.352 -1.502 1.00 5.53 H new ATOM 0 HA LEU A 78 20.591 10.523 0.224 1.00 3.41 H new ATOM 0 HB2 LEU A 78 22.284 8.826 -0.379 1.00 3.44 H new ATOM 0 HB3 LEU A 78 22.241 9.334 -2.056 1.00 3.44 H new ATOM 0 HG LEU A 78 23.182 11.566 -1.379 1.00 20.33 H new ATOM 0 HD11 LEU A 78 24.208 11.843 0.856 1.00 53.51 H new ATOM 0 HD12 LEU A 78 22.438 11.671 0.942 1.00 53.51 H new ATOM 0 HD13 LEU A 78 23.488 10.298 1.368 1.00 53.51 H new ATOM 0 HD21 LEU A 78 25.500 10.776 -0.980 1.00 43.43 H new ATOM 0 HD22 LEU A 78 24.872 9.153 -0.610 1.00 43.43 H new ATOM 0 HD23 LEU A 78 24.677 9.832 -2.243 1.00 43.43 H new ATOM 1310 N GLU A 79 20.171 11.315 -2.968 1.00 52.42 N ATOM 1311 CA GLU A 79 20.048 12.400 -3.962 1.00 41.12 C ATOM 1312 C GLU A 79 18.736 13.197 -3.802 1.00 11.42 C ATOM 1313 O GLU A 79 18.467 14.077 -4.632 1.00 24.04 O ATOM 1314 CB GLU A 79 20.141 11.841 -5.412 1.00 5.24 C ATOM 1315 CG GLU A 79 18.943 10.960 -5.836 1.00 40.24 C ATOM 1316 CD GLU A 79 18.801 10.826 -7.356 1.00 45.20 C ATOM 1317 OE1 GLU A 79 18.223 11.741 -7.986 1.00 61.22 O ATOM 1318 OE2 GLU A 79 19.252 9.814 -7.932 1.00 63.35 O ATOM 0 H GLU A 79 19.966 10.391 -3.347 1.00 52.42 H new ATOM 0 HA GLU A 79 20.880 13.080 -3.780 1.00 41.12 H new ATOM 0 HB2 GLU A 79 20.225 12.677 -6.106 1.00 5.24 H new ATOM 0 HB3 GLU A 79 21.057 11.257 -5.505 1.00 5.24 H new ATOM 0 HG2 GLU A 79 19.057 9.968 -5.399 1.00 40.24 H new ATOM 0 HG3 GLU A 79 18.026 11.384 -5.428 1.00 40.24 H new ATOM 1325 N HIS A 80 17.937 12.883 -2.739 1.00 74.10 N ATOM 1326 CA HIS A 80 16.649 13.552 -2.442 1.00 2.34 C ATOM 1327 C HIS A 80 16.777 15.082 -2.561 1.00 23.44 C ATOM 1328 O HIS A 80 17.416 15.737 -1.725 1.00 61.34 O ATOM 1329 CB HIS A 80 16.130 13.166 -1.025 1.00 35.03 C ATOM 1330 CG HIS A 80 14.847 13.865 -0.613 1.00 34.44 C ATOM 1331 ND1 HIS A 80 13.594 13.383 -0.924 1.00 1.24 N ATOM 1332 CD2 HIS A 80 14.630 15.001 0.110 1.00 11.01 C ATOM 1333 CE1 HIS A 80 12.677 14.182 -0.420 1.00 61.43 C ATOM 1334 NE2 HIS A 80 13.279 15.167 0.212 1.00 41.11 N ATOM 0 H HIS A 80 18.177 12.155 -2.066 1.00 74.10 H new ATOM 0 HA HIS A 80 15.925 13.208 -3.181 1.00 2.34 H new ATOM 0 HB2 HIS A 80 15.969 12.089 -0.992 1.00 35.03 H new ATOM 0 HB3 HIS A 80 16.905 13.395 -0.293 1.00 35.03 H new ATOM 0 HD2 HIS A 80 15.387 15.649 0.525 1.00 11.01 H new ATOM 0 HE1 HIS A 80 11.609 14.051 -0.510 1.00 61.43 H new ATOM 0 HE2 HIS A 80 12.811 15.931 0.699 1.00 41.11 H new ATOM 1343 N HIS A 81 16.184 15.610 -3.632 1.00 24.43 N ATOM 1344 CA HIS A 81 16.183 17.043 -3.940 1.00 44.35 C ATOM 1345 C HIS A 81 15.387 17.795 -2.857 1.00 10.52 C ATOM 1346 O HIS A 81 14.388 17.262 -2.350 1.00 61.11 O ATOM 1347 CB HIS A 81 15.584 17.274 -5.350 1.00 30.54 C ATOM 1348 CG HIS A 81 16.361 16.621 -6.476 1.00 42.01 C ATOM 1349 ND1 HIS A 81 17.038 17.331 -7.444 1.00 2.13 N ATOM 1350 CD2 HIS A 81 16.550 15.313 -6.790 1.00 31.20 C ATOM 1351 CE1 HIS A 81 17.601 16.492 -8.290 1.00 22.11 C ATOM 1352 NE2 HIS A 81 17.322 15.266 -7.915 1.00 12.44 N ATOM 0 H HIS A 81 15.684 15.048 -4.320 1.00 24.43 H new ATOM 0 HA HIS A 81 17.203 17.427 -3.944 1.00 44.35 H new ATOM 0 HB2 HIS A 81 14.562 16.896 -5.363 1.00 30.54 H new ATOM 0 HB3 HIS A 81 15.530 18.346 -5.537 1.00 30.54 H new ATOM 0 HD2 HIS A 81 16.160 14.464 -6.248 1.00 31.20 H new ATOM 0 HE1 HIS A 81 18.194 16.768 -9.150 1.00 22.11 H new ATOM 0 HE2 HIS A 81 17.631 14.416 -8.387 1.00 12.44 H new ATOM 1361 N HIS A 82 15.859 19.009 -2.494 1.00 64.34 N ATOM 1362 CA HIS A 82 15.289 19.799 -1.385 1.00 44.31 C ATOM 1363 C HIS A 82 13.831 20.175 -1.700 1.00 14.51 C ATOM 1364 O HIS A 82 13.559 21.140 -2.431 1.00 10.51 O ATOM 1365 CB HIS A 82 16.154 21.052 -1.079 1.00 31.34 C ATOM 1366 CG HIS A 82 17.505 20.726 -0.491 1.00 41.52 C ATOM 1367 ND1 HIS A 82 17.879 21.076 0.792 1.00 65.31 N ATOM 1368 CD2 HIS A 82 18.559 20.051 -1.007 1.00 53.20 C ATOM 1369 CE1 HIS A 82 19.095 20.631 1.031 1.00 32.51 C ATOM 1370 NE2 HIS A 82 19.527 20.013 -0.044 1.00 74.34 N ATOM 0 H HIS A 82 16.643 19.465 -2.961 1.00 64.34 H new ATOM 0 HA HIS A 82 15.295 19.186 -0.484 1.00 44.31 H new ATOM 0 HB2 HIS A 82 16.295 21.619 -1.999 1.00 31.34 H new ATOM 0 HB3 HIS A 82 15.612 21.697 -0.387 1.00 31.34 H new ATOM 0 HD2 HIS A 82 18.623 19.622 -1.996 1.00 53.20 H new ATOM 0 HE1 HIS A 82 19.643 20.753 1.953 1.00 32.51 H new ATOM 0 HE2 HIS A 82 20.442 19.573 -0.144 1.00 74.34 H new ATOM 1379 N HIS A 83 12.927 19.346 -1.172 1.00 51.54 N ATOM 1380 CA HIS A 83 11.486 19.411 -1.406 1.00 1.32 C ATOM 1381 C HIS A 83 10.803 18.507 -0.376 1.00 34.32 C ATOM 1382 O HIS A 83 11.147 17.321 -0.259 1.00 12.24 O ATOM 1383 CB HIS A 83 11.135 18.949 -2.852 1.00 63.23 C ATOM 1384 CG HIS A 83 9.657 18.888 -3.150 1.00 72.15 C ATOM 1385 ND1 HIS A 83 8.921 19.987 -3.521 1.00 31.32 N ATOM 1386 CD2 HIS A 83 8.781 17.854 -3.114 1.00 5.44 C ATOM 1387 CE1 HIS A 83 7.665 19.638 -3.689 1.00 53.40 C ATOM 1388 NE2 HIS A 83 7.552 18.348 -3.450 1.00 71.11 N ATOM 0 H HIS A 83 13.190 18.584 -0.547 1.00 51.54 H new ATOM 0 HA HIS A 83 11.139 20.439 -1.301 1.00 1.32 H new ATOM 0 HB2 HIS A 83 11.608 19.628 -3.561 1.00 63.23 H new ATOM 0 HB3 HIS A 83 11.567 17.962 -3.019 1.00 63.23 H new ATOM 0 HD2 HIS A 83 9.012 16.829 -2.866 1.00 5.44 H new ATOM 0 HE1 HIS A 83 6.860 20.299 -3.975 1.00 53.40 H new ATOM 0 HE2 HIS A 83 6.689 17.807 -3.506 1.00 71.11 H new ATOM 1397 N HIS A 84 9.859 19.078 0.370 1.00 45.34 N ATOM 1398 CA HIS A 84 9.054 18.353 1.360 1.00 31.42 C ATOM 1399 C HIS A 84 7.749 17.890 0.702 1.00 30.13 C ATOM 1400 O HIS A 84 7.203 18.587 -0.166 1.00 22.10 O ATOM 1401 CB HIS A 84 8.755 19.257 2.588 1.00 45.33 C ATOM 1402 CG HIS A 84 9.981 19.661 3.364 1.00 22.14 C ATOM 1403 ND1 HIS A 84 10.244 19.212 4.639 1.00 14.13 N ATOM 1404 CD2 HIS A 84 11.004 20.489 3.047 1.00 65.12 C ATOM 1405 CE1 HIS A 84 11.372 19.742 5.063 1.00 5.34 C ATOM 1406 NE2 HIS A 84 11.850 20.518 4.116 1.00 73.22 N ATOM 0 H HIS A 84 9.626 20.069 0.306 1.00 45.34 H new ATOM 0 HA HIS A 84 9.610 17.484 1.712 1.00 31.42 H new ATOM 0 HB2 HIS A 84 8.240 20.156 2.248 1.00 45.33 H new ATOM 0 HB3 HIS A 84 8.072 18.732 3.255 1.00 45.33 H new ATOM 0 HD2 HIS A 84 11.127 21.027 2.119 1.00 65.12 H new ATOM 0 HE1 HIS A 84 11.828 19.568 6.027 1.00 5.34 H new ATOM 0 HE2 HIS A 84 12.715 21.056 4.172 1.00 73.22 H new ATOM 1415 N HIS A 85 7.285 16.693 1.093 1.00 43.54 N ATOM 1416 CA HIS A 85 5.989 16.153 0.667 1.00 61.00 C ATOM 1417 C HIS A 85 4.858 16.893 1.441 1.00 23.44 C ATOM 1418 O HIS A 85 4.630 16.580 2.634 1.00 13.53 O ATOM 1419 CB HIS A 85 5.944 14.608 0.897 1.00 3.43 C ATOM 1420 CG HIS A 85 4.616 13.978 0.563 1.00 72.04 C ATOM 1421 ND1 HIS A 85 3.574 13.945 1.458 1.00 44.43 N ATOM 1422 CD2 HIS A 85 4.164 13.358 -0.553 1.00 54.25 C ATOM 1423 CE1 HIS A 85 2.543 13.355 0.909 1.00 23.43 C ATOM 1424 NE2 HIS A 85 2.872 12.983 -0.308 1.00 22.45 N ATOM 1425 OXT HIS A 85 4.218 17.792 0.864 1.00 36.70 O ATOM 0 H HIS A 85 7.802 16.072 1.716 1.00 43.54 H new ATOM 0 HA HIS A 85 5.842 16.319 -0.400 1.00 61.00 H new ATOM 0 HB2 HIS A 85 6.720 14.138 0.293 1.00 3.43 H new ATOM 0 HB3 HIS A 85 6.182 14.399 1.940 1.00 3.43 H new ATOM 0 HD2 HIS A 85 4.719 13.191 -1.464 1.00 54.25 H new ATOM 0 HE1 HIS A 85 1.582 13.200 1.378 1.00 23.43 H new ATOM 0 HE2 HIS A 85 2.262 12.494 -0.963 1.00 22.45 H new TER 1434 HIS A 85