USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 804 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 74 ASN : amide:sc= 0.915 K(o=2.9,f=1.1) USER MOD Set 1.2: A 78 THR OG1 : rot -72:sc= 2 USER MOD Set 2.1: A 19 TYR OH : rot 172:sc= 1.18 USER MOD Set 2.2: A 103 LYS NZ :NH3+ -126:sc= 0.638 (180deg=0) USER MOD Set 2.3: A 104 ASN : amide:sc= 0.914 K(o=2.7,f=-0.51) USER MOD Set 3.1: A 14 SER OG : rot 109:sc= 1.23 USER MOD Set 3.2: A 17 HIS :FLIP no HD1:sc= -0.316 F(o=0.41,f=0.92) USER MOD Set 4.1: A 6 HIS : no HD1:sc= -0.535 K(o=-1.1,f=-7.8!) USER MOD Set 4.2: A 7 HIS : no HD1:sc= -0.565 K(o=-1.1,f=-3.3) USER MOD Single : A 1 MET CE :methyl -127:sc= -0.787 (180deg=-3.21!) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0952 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.91 K(o=-0.91,f=-1.5) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.203 K(o=-0.2,f=-0.99) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 2.29 (180deg=1.98) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 170:sc= 0.0246 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 1.21 (180deg=1.13) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0677 X(o=-0.068,f=-0.095) USER MOD Single : A 79 TYR OH : rot 180:sc= 0.339 USER MOD Single : A 83 TYR OH : rot 20:sc= 0.465 USER MOD Single : A 90 ASN : amide:sc= -0.285 K(o=-0.29,f=-6!) USER MOD Single : A 91 TYR OH : rot -162:sc= 1.28 USER MOD Single : A 92 ASN : amide:sc= 0.922 K(o=0.92,f=-0.66) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0337 USER MOD Single : A 100 ASN : amide:sc= 0.261 X(o=0.26,f=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 CYS SG : rot -114:sc= -0.0842 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.653 -7.144 -9.029 1.00 0.00 N ATOM 2 CA MET A 1 -19.484 -6.514 -9.658 1.00 0.00 C ATOM 3 C MET A 1 -18.534 -7.572 -10.168 1.00 0.00 C ATOM 4 O MET A 1 -18.397 -8.538 -9.424 1.00 0.00 O ATOM 5 CB MET A 1 -18.754 -5.617 -8.654 1.00 0.00 C ATOM 6 CG MET A 1 -17.451 -4.938 -9.049 1.00 0.00 C ATOM 7 SD MET A 1 -15.961 -5.968 -9.022 1.00 0.00 S ATOM 8 CE MET A 1 -14.814 -4.872 -9.886 1.00 0.00 C ATOM 0 H1 MET A 1 -20.966 -6.567 -8.223 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.424 -7.216 -9.723 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.397 -8.095 -8.695 1.00 0.00 H new ATOM 0 HA MET A 1 -19.831 -5.906 -10.493 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.450 -4.834 -8.353 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.550 -6.220 -7.769 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.568 -4.534 -10.055 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.292 -4.091 -8.382 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.354 -5.408 -10.716 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.356 -4.007 -10.269 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.040 -4.538 -9.195 1.00 0.00 H new ATOM 20 N HIS A 2 -17.911 -7.467 -11.350 1.00 0.00 N ATOM 21 CA HIS A 2 -16.932 -8.468 -11.772 1.00 0.00 C ATOM 22 C HIS A 2 -15.766 -7.699 -12.376 1.00 0.00 C ATOM 23 O HIS A 2 -15.968 -6.735 -13.113 1.00 0.00 O ATOM 24 CB HIS A 2 -17.661 -9.370 -12.740 1.00 0.00 C ATOM 25 CG HIS A 2 -16.907 -10.594 -13.222 1.00 0.00 C ATOM 26 ND1 HIS A 2 -16.378 -11.674 -12.522 1.00 0.00 N ATOM 27 CD2 HIS A 2 -16.567 -10.891 -14.523 1.00 0.00 C ATOM 28 CE1 HIS A 2 -15.783 -12.501 -13.389 1.00 0.00 C ATOM 29 NE2 HIS A 2 -15.858 -12.085 -14.660 1.00 0.00 N ATOM 0 H HIS A 2 -18.066 -6.712 -12.018 1.00 0.00 H new ATOM 0 HA HIS A 2 -16.524 -9.095 -10.979 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -18.585 -9.703 -12.267 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -17.944 -8.779 -13.611 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -16.825 -10.259 -15.360 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -15.290 -13.415 -13.093 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -15.493 -12.525 -15.505 1.00 0.00 H new ATOM 37 N HIS A 3 -14.542 -8.056 -11.977 1.00 0.00 N ATOM 38 CA HIS A 3 -13.365 -7.620 -12.703 1.00 0.00 C ATOM 39 C HIS A 3 -13.152 -8.494 -13.935 1.00 0.00 C ATOM 40 O HIS A 3 -12.632 -9.598 -13.956 1.00 0.00 O ATOM 41 CB HIS A 3 -12.263 -7.593 -11.644 1.00 0.00 C ATOM 42 CG HIS A 3 -10.909 -7.150 -12.139 1.00 0.00 C ATOM 43 ND1 HIS A 3 -10.293 -6.006 -11.655 1.00 0.00 N ATOM 44 CD2 HIS A 3 -9.985 -7.690 -12.988 1.00 0.00 C ATOM 45 CE1 HIS A 3 -9.016 -5.958 -12.089 1.00 0.00 C ATOM 46 NE2 HIS A 3 -8.808 -6.950 -12.964 1.00 0.00 N ATOM 0 H HIS A 3 -14.350 -8.640 -11.163 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.422 -6.628 -13.150 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.573 -6.929 -10.837 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.167 -8.591 -11.216 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.146 -8.569 -13.594 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.278 -5.233 -11.779 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.960 -7.127 -13.503 1.00 0.00 H new ATOM 54 N HIS A 4 -13.326 -7.812 -15.076 1.00 0.00 N ATOM 55 CA HIS A 4 -13.152 -8.326 -16.414 1.00 0.00 C ATOM 56 C HIS A 4 -12.895 -7.294 -17.504 1.00 0.00 C ATOM 57 O HIS A 4 -13.631 -6.307 -17.584 1.00 0.00 O ATOM 58 CB HIS A 4 -14.350 -9.189 -16.788 1.00 0.00 C ATOM 59 CG HIS A 4 -14.300 -9.834 -18.143 1.00 0.00 C ATOM 60 ND1 HIS A 4 -14.932 -9.408 -19.305 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.497 -10.872 -18.574 1.00 0.00 C ATOM 62 CE1 HIS A 4 -14.582 -10.209 -20.327 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.673 -11.105 -19.933 1.00 0.00 N ATOM 0 H HIS A 4 -13.608 -6.832 -15.074 1.00 0.00 H new ATOM 0 HA HIS A 4 -12.232 -8.908 -16.371 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.456 -9.973 -16.038 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -15.247 -8.573 -16.734 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.823 -11.428 -17.940 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.981 -10.138 -21.328 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.208 -11.809 -20.506 1.00 0.00 H new ATOM 71 N HIS A 5 -11.875 -7.410 -18.355 1.00 0.00 N ATOM 72 CA HIS A 5 -11.677 -6.434 -19.385 1.00 0.00 C ATOM 73 C HIS A 5 -12.669 -6.505 -20.536 1.00 0.00 C ATOM 74 O HIS A 5 -12.632 -7.489 -21.259 1.00 0.00 O ATOM 75 CB HIS A 5 -10.206 -6.512 -19.763 1.00 0.00 C ATOM 76 CG HIS A 5 -9.178 -6.054 -18.765 1.00 0.00 C ATOM 77 ND1 HIS A 5 -8.263 -5.043 -19.028 1.00 0.00 N ATOM 78 CD2 HIS A 5 -8.769 -6.658 -17.605 1.00 0.00 C ATOM 79 CE1 HIS A 5 -7.378 -5.047 -18.022 1.00 0.00 C ATOM 80 NE2 HIS A 5 -7.601 -6.042 -17.153 1.00 0.00 N ATOM 0 H HIS A 5 -11.190 -8.166 -18.339 1.00 0.00 H new ATOM 0 HA HIS A 5 -11.904 -5.433 -19.017 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.984 -7.549 -20.014 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -10.067 -5.927 -20.672 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -9.271 -7.481 -17.118 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -6.576 -4.330 -17.923 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.040 -6.294 -16.339 1.00 0.00 H new ATOM 88 N HIS A 6 -13.495 -5.476 -20.689 1.00 0.00 N ATOM 89 CA HIS A 6 -14.404 -5.394 -21.821 1.00 0.00 C ATOM 90 C HIS A 6 -13.726 -4.906 -23.087 1.00 0.00 C ATOM 91 O HIS A 6 -13.947 -5.567 -24.111 1.00 0.00 O ATOM 92 CB HIS A 6 -15.515 -4.425 -21.411 1.00 0.00 C ATOM 93 CG HIS A 6 -16.765 -4.684 -22.214 1.00 0.00 C ATOM 94 ND1 HIS A 6 -16.937 -4.162 -23.485 1.00 0.00 N ATOM 95 CD2 HIS A 6 -17.916 -5.362 -21.902 1.00 0.00 C ATOM 96 CE1 HIS A 6 -18.185 -4.460 -23.890 1.00 0.00 C ATOM 97 NE2 HIS A 6 -18.782 -5.246 -22.990 1.00 0.00 N ATOM 0 H HIS A 6 -13.552 -4.689 -20.043 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.787 -6.387 -22.055 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.729 -4.537 -20.348 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -15.184 -3.398 -21.563 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -18.116 -5.890 -20.981 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -18.637 -4.115 -24.808 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -19.700 -5.681 -23.081 1.00 0.00 H new ATOM 105 N HIS A 7 -12.960 -3.825 -22.965 1.00 0.00 N ATOM 106 CA HIS A 7 -12.197 -3.248 -24.059 1.00 0.00 C ATOM 107 C HIS A 7 -10.693 -3.138 -23.811 1.00 0.00 C ATOM 108 O HIS A 7 -10.325 -3.109 -22.641 1.00 0.00 O ATOM 109 CB HIS A 7 -12.907 -1.952 -24.450 1.00 0.00 C ATOM 110 CG HIS A 7 -14.264 -2.273 -25.022 1.00 0.00 C ATOM 111 ND1 HIS A 7 -14.559 -3.160 -26.034 1.00 0.00 N ATOM 112 CD2 HIS A 7 -15.425 -1.596 -24.721 1.00 0.00 C ATOM 113 CE1 HIS A 7 -15.862 -3.069 -26.348 1.00 0.00 C ATOM 114 NE2 HIS A 7 -16.419 -2.181 -25.515 1.00 0.00 N ATOM 0 H HIS A 7 -12.853 -3.319 -22.086 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.190 -3.925 -24.913 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.012 -1.306 -23.579 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.312 -1.406 -25.182 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -15.544 -0.784 -24.019 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.369 -3.614 -27.131 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.414 -1.964 -25.466 1.00 0.00 H new ATOM 122 N ALA A 8 -9.882 -2.737 -24.794 1.00 0.00 N ATOM 123 CA ALA A 8 -8.574 -2.184 -24.510 1.00 0.00 C ATOM 124 C ALA A 8 -8.537 -0.829 -23.822 1.00 0.00 C ATOM 125 O ALA A 8 -7.702 -0.685 -22.939 1.00 0.00 O ATOM 126 CB ALA A 8 -7.799 -2.103 -25.821 1.00 0.00 C ATOM 0 H ALA A 8 -10.115 -2.788 -25.786 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.127 -2.862 -23.783 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.808 -1.689 -25.633 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.700 -3.101 -26.247 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.334 -1.461 -26.521 1.00 0.00 H new ATOM 132 N SER A 9 -9.485 0.089 -24.077 1.00 0.00 N ATOM 133 CA SER A 9 -9.804 1.208 -23.238 1.00 0.00 C ATOM 134 C SER A 9 -10.456 0.869 -21.897 1.00 0.00 C ATOM 135 O SER A 9 -11.168 -0.123 -21.782 1.00 0.00 O ATOM 136 CB SER A 9 -10.727 2.247 -23.873 1.00 0.00 C ATOM 137 OG SER A 9 -11.938 1.651 -24.288 1.00 0.00 O ATOM 0 H SER A 9 -10.063 0.050 -24.916 1.00 0.00 H new ATOM 0 HA SER A 9 -8.801 1.607 -23.085 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.934 3.043 -23.157 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.231 2.708 -24.727 1.00 0.00 H new ATOM 0 HG SER A 9 -12.517 2.332 -24.690 1.00 0.00 H new ATOM 143 N LYS A 10 -10.187 1.714 -20.903 1.00 0.00 N ATOM 144 CA LYS A 10 -10.673 1.635 -19.547 1.00 0.00 C ATOM 145 C LYS A 10 -10.593 2.934 -18.733 1.00 0.00 C ATOM 146 O LYS A 10 -9.722 3.729 -19.049 1.00 0.00 O ATOM 147 CB LYS A 10 -9.802 0.573 -18.869 1.00 0.00 C ATOM 148 CG LYS A 10 -8.284 0.694 -18.923 1.00 0.00 C ATOM 149 CD LYS A 10 -7.563 -0.190 -17.918 1.00 0.00 C ATOM 150 CE LYS A 10 -6.048 -0.061 -18.054 1.00 0.00 C ATOM 151 NZ LYS A 10 -5.279 -0.417 -16.858 1.00 0.00 N1+ ATOM 0 H LYS A 10 -9.582 2.523 -21.045 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.738 1.404 -19.584 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.089 0.539 -17.818 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.067 -0.391 -19.303 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.944 0.439 -19.927 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.005 1.733 -18.746 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.864 0.084 -16.907 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.857 -1.229 -18.067 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.719 -0.693 -18.879 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.810 0.967 -18.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.264 -0.412 -17.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.470 0.274 -16.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.557 -1.366 -16.536 1.00 0.00 H new ATOM 165 N PRO A 11 -11.431 3.136 -17.712 1.00 0.00 N ATOM 166 CA PRO A 11 -11.389 4.280 -16.840 1.00 0.00 C ATOM 167 C PRO A 11 -10.155 4.254 -15.954 1.00 0.00 C ATOM 168 O PRO A 11 -9.416 3.279 -15.982 1.00 0.00 O ATOM 169 CB PRO A 11 -12.738 4.345 -16.115 1.00 0.00 C ATOM 170 CG PRO A 11 -13.299 2.924 -16.162 1.00 0.00 C ATOM 171 CD PRO A 11 -12.666 2.420 -17.453 1.00 0.00 C ATOM 0 HA PRO A 11 -11.271 5.215 -17.387 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.614 4.684 -15.086 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.412 5.049 -16.603 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.003 2.332 -15.296 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.388 2.909 -16.201 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.467 1.351 -17.377 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.357 2.558 -18.285 1.00 0.00 H new ATOM 179 N ALA A 12 -9.913 5.390 -15.287 1.00 0.00 N ATOM 180 CA ALA A 12 -8.814 5.771 -14.415 1.00 0.00 C ATOM 181 C ALA A 12 -9.205 5.932 -12.953 1.00 0.00 C ATOM 182 O ALA A 12 -10.313 6.430 -12.708 1.00 0.00 O ATOM 183 CB ALA A 12 -8.246 7.078 -14.959 1.00 0.00 C ATOM 0 H ALA A 12 -10.578 6.160 -15.363 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.078 4.967 -14.420 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.415 7.402 -14.332 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.893 6.925 -15.979 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.023 7.842 -14.955 1.00 0.00 H new ATOM 189 N PRO A 13 -8.441 5.454 -11.966 1.00 0.00 N ATOM 190 CA PRO A 13 -8.700 5.775 -10.563 1.00 0.00 C ATOM 191 C PRO A 13 -8.531 7.217 -10.133 1.00 0.00 C ATOM 192 O PRO A 13 -7.874 7.946 -10.881 1.00 0.00 O ATOM 193 CB PRO A 13 -7.874 4.837 -9.681 1.00 0.00 C ATOM 194 CG PRO A 13 -7.480 3.722 -10.647 1.00 0.00 C ATOM 195 CD PRO A 13 -7.406 4.455 -11.988 1.00 0.00 C ATOM 0 HA PRO A 13 -9.771 5.620 -10.435 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.000 5.339 -9.265 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.454 4.457 -8.840 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.525 3.271 -10.378 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.218 2.920 -10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.427 4.914 -12.126 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.553 3.763 -12.817 1.00 0.00 H new ATOM 203 N SER A 14 -8.942 7.685 -8.943 1.00 0.00 N ATOM 204 CA SER A 14 -8.893 9.071 -8.556 1.00 0.00 C ATOM 205 C SER A 14 -8.533 9.212 -7.087 1.00 0.00 C ATOM 206 O SER A 14 -8.669 8.225 -6.365 1.00 0.00 O ATOM 207 CB SER A 14 -10.284 9.694 -8.724 1.00 0.00 C ATOM 208 OG SER A 14 -10.860 9.311 -9.953 1.00 0.00 O ATOM 0 H SER A 14 -9.325 7.079 -8.217 1.00 0.00 H new ATOM 0 HA SER A 14 -8.147 9.562 -9.180 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.929 9.382 -7.902 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.209 10.780 -8.675 1.00 0.00 H new ATOM 0 HG SER A 14 -11.600 8.689 -9.788 1.00 0.00 H new ATOM 214 N ALA A 15 -8.068 10.363 -6.616 1.00 0.00 N ATOM 215 CA ALA A 15 -7.788 10.671 -5.216 1.00 0.00 C ATOM 216 C ALA A 15 -8.995 10.548 -4.308 1.00 0.00 C ATOM 217 O ALA A 15 -8.764 9.946 -3.261 1.00 0.00 O ATOM 218 CB ALA A 15 -7.322 12.107 -5.064 1.00 0.00 C ATOM 0 H ALA A 15 -7.865 11.150 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.030 9.943 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.119 12.314 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.413 12.258 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.099 12.782 -5.424 1.00 0.00 H new ATOM 224 N GLU A 16 -10.177 11.094 -4.592 1.00 0.00 N ATOM 225 CA GLU A 16 -11.426 10.921 -3.868 1.00 0.00 C ATOM 226 C GLU A 16 -11.658 9.415 -3.742 1.00 0.00 C ATOM 227 O GLU A 16 -12.409 9.013 -2.856 1.00 0.00 O ATOM 228 CB GLU A 16 -12.564 11.686 -4.545 1.00 0.00 C ATOM 229 CG GLU A 16 -13.705 12.047 -3.587 1.00 0.00 C ATOM 230 CD GLU A 16 -13.235 12.952 -2.459 1.00 0.00 C ATOM 231 OE1 GLU A 16 -13.346 14.194 -2.537 1.00 0.00 O ATOM 232 OE2 GLU A 16 -12.823 12.362 -1.442 1.00 0.00 O1- ATOM 0 H GLU A 16 -10.290 11.714 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.383 11.348 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.166 12.600 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.962 11.084 -5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.502 12.543 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.129 11.135 -3.167 1.00 0.00 H new ATOM 239 N HIS A 17 -11.152 8.623 -4.685 1.00 0.00 N ATOM 240 CA HIS A 17 -11.613 7.289 -5.041 1.00 0.00 C ATOM 241 C HIS A 17 -10.622 6.149 -4.836 1.00 0.00 C ATOM 242 O HIS A 17 -10.971 5.021 -5.133 1.00 0.00 O ATOM 243 CB HIS A 17 -12.221 7.323 -6.441 1.00 0.00 C ATOM 244 CG HIS A 17 -13.317 8.352 -6.510 1.00 0.00 C ATOM 245 ND1 HIS A 17 -13.563 9.272 -7.502 1.00 0.00 N flip ATOM 246 CD2 HIS A 17 -14.418 8.396 -5.679 1.00 0.00 C flip ATOM 247 CE1 HIS A 17 -14.739 9.971 -7.239 1.00 0.00 C flip ATOM 248 NE2 HIS A 17 -15.189 9.412 -6.114 1.00 0.00 N flip ATOM 0 H HIS A 17 -10.359 8.917 -5.255 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.382 7.031 -4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -11.449 7.555 -7.175 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.619 6.341 -6.696 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.622 7.743 -4.843 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.181 10.774 -7.810 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.032 9.723 -5.632 1.00 0.00 H new ATOM 256 N SER A 18 -9.450 6.395 -4.243 1.00 0.00 N ATOM 257 CA SER A 18 -8.499 5.377 -3.885 1.00 0.00 C ATOM 258 C SER A 18 -7.871 5.479 -2.499 1.00 0.00 C ATOM 259 O SER A 18 -7.233 6.491 -2.203 1.00 0.00 O ATOM 260 CB SER A 18 -7.431 5.270 -4.965 1.00 0.00 C ATOM 261 OG SER A 18 -6.551 4.193 -4.763 1.00 0.00 O ATOM 0 H SER A 18 -9.143 7.337 -3.999 1.00 0.00 H new ATOM 0 HA SER A 18 -9.087 4.461 -3.821 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.914 5.160 -5.936 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.860 6.198 -4.996 1.00 0.00 H new ATOM 0 HG SER A 18 -5.889 4.172 -5.485 1.00 0.00 H new ATOM 267 N TYR A 19 -8.040 4.437 -1.697 1.00 0.00 N ATOM 268 CA TYR A 19 -7.879 4.477 -0.258 1.00 0.00 C ATOM 269 C TYR A 19 -7.495 3.070 0.204 1.00 0.00 C ATOM 270 O TYR A 19 -7.517 2.169 -0.624 1.00 0.00 O ATOM 271 CB TYR A 19 -9.140 5.053 0.386 1.00 0.00 C ATOM 272 CG TYR A 19 -9.272 6.550 0.367 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.350 7.188 -0.276 1.00 0.00 C ATOM 274 CD2 TYR A 19 -8.387 7.358 1.087 1.00 0.00 C ATOM 275 CE1 TYR A 19 -10.645 8.539 -0.111 1.00 0.00 C ATOM 276 CE2 TYR A 19 -8.618 8.738 1.270 1.00 0.00 C ATOM 277 CZ TYR A 19 -9.804 9.266 0.741 1.00 0.00 C ATOM 278 OH TYR A 19 -10.159 10.557 1.001 1.00 0.00 O ATOM 0 H TYR A 19 -8.301 3.514 -2.045 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.077 5.145 0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.007 4.626 -0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.178 4.719 1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.979 6.601 -0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.501 6.913 1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.480 9.003 -0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.910 9.362 1.796 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.582 10.919 1.705 1.00 0.00 H new ATOM 288 N ALA A 20 -6.824 3.029 1.353 1.00 0.00 N ATOM 289 CA ALA A 20 -6.131 1.862 1.860 1.00 0.00 C ATOM 290 C ALA A 20 -6.368 1.469 3.311 1.00 0.00 C ATOM 291 O ALA A 20 -6.642 2.367 4.086 1.00 0.00 O ATOM 292 CB ALA A 20 -4.695 1.696 1.376 1.00 0.00 C ATOM 0 H ALA A 20 -6.749 3.837 1.972 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.684 1.075 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.266 0.794 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.685 1.614 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.106 2.561 1.680 1.00 0.00 H new ATOM 298 N GLU A 21 -6.324 0.173 3.630 1.00 0.00 N ATOM 299 CA GLU A 21 -6.795 -0.518 4.827 1.00 0.00 C ATOM 300 C GLU A 21 -6.105 -1.869 4.914 1.00 0.00 C ATOM 301 O GLU A 21 -5.864 -2.472 3.864 1.00 0.00 O ATOM 302 CB GLU A 21 -8.297 -0.768 4.861 1.00 0.00 C ATOM 303 CG GLU A 21 -8.990 0.466 5.447 1.00 0.00 C ATOM 304 CD GLU A 21 -10.481 0.256 5.203 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.215 1.245 5.087 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.960 -0.885 5.350 1.00 0.00 O1- ATOM 0 H GLU A 21 -5.908 -0.492 2.977 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.558 0.138 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.669 -0.968 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.520 -1.648 5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.778 0.566 6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.639 1.378 4.965 1.00 0.00 H new ATOM 313 N GLY A 22 -5.846 -2.283 6.154 1.00 0.00 N ATOM 314 CA GLY A 22 -5.091 -3.465 6.504 1.00 0.00 C ATOM 315 C GLY A 22 -3.974 -3.308 7.519 1.00 0.00 C ATOM 316 O GLY A 22 -3.681 -2.183 7.956 1.00 0.00 O ATOM 0 H GLY A 22 -6.176 -1.773 6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.790 -4.210 6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.660 -3.872 5.589 1.00 0.00 H new ATOM 320 N GLU A 23 -3.340 -4.394 7.920 1.00 0.00 N ATOM 321 CA GLU A 23 -2.299 -4.483 8.936 1.00 0.00 C ATOM 322 C GLU A 23 -0.954 -3.945 8.481 1.00 0.00 C ATOM 323 O GLU A 23 -0.366 -3.313 9.372 1.00 0.00 O ATOM 324 CB GLU A 23 -2.197 -5.904 9.478 1.00 0.00 C ATOM 325 CG GLU A 23 -1.687 -5.887 10.913 1.00 0.00 C ATOM 326 CD GLU A 23 -1.397 -7.291 11.399 1.00 0.00 C ATOM 327 OE1 GLU A 23 -0.236 -7.696 11.660 1.00 0.00 O ATOM 328 OE2 GLU A 23 -2.299 -8.115 11.652 1.00 0.00 O1- ATOM 0 H GLU A 23 -3.552 -5.306 7.516 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.602 -3.826 9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.173 -6.387 9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.525 -6.492 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.782 -5.282 10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.428 -5.419 11.561 1.00 0.00 H new ATOM 335 N GLY A 24 -0.508 -3.964 7.220 1.00 0.00 N ATOM 336 CA GLY A 24 0.575 -3.120 6.760 1.00 0.00 C ATOM 337 C GLY A 24 0.314 -1.614 6.844 1.00 0.00 C ATOM 338 O GLY A 24 1.151 -0.923 6.278 1.00 0.00 O ATOM 0 H GLY A 24 -0.896 -4.570 6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.466 -3.350 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.798 -3.376 5.724 1.00 0.00 H new ATOM 342 N LEU A 25 -0.744 -1.115 7.481 1.00 0.00 N ATOM 343 CA LEU A 25 -0.921 0.289 7.819 1.00 0.00 C ATOM 344 C LEU A 25 -0.899 0.462 9.331 1.00 0.00 C ATOM 345 O LEU A 25 -1.337 1.505 9.796 1.00 0.00 O ATOM 346 CB LEU A 25 -2.175 0.923 7.237 1.00 0.00 C ATOM 347 CG LEU A 25 -2.111 0.937 5.718 1.00 0.00 C ATOM 348 CD1 LEU A 25 -3.523 0.994 5.155 1.00 0.00 C ATOM 349 CD2 LEU A 25 -1.162 1.982 5.153 1.00 0.00 C ATOM 0 H LEU A 25 -1.524 -1.698 7.784 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.085 0.817 7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.055 0.369 7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.282 1.941 7.611 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.659 0.004 5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.480 1.004 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.083 0.120 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.019 1.899 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.171 1.931 4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.482 2.974 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.152 1.791 5.517 1.00 0.00 H new ATOM 361 N VAL A 26 -0.351 -0.489 10.090 1.00 0.00 N ATOM 362 CA VAL A 26 -0.165 -0.414 11.525 1.00 0.00 C ATOM 363 C VAL A 26 1.199 -0.960 11.909 1.00 0.00 C ATOM 364 O VAL A 26 1.774 -0.352 12.809 1.00 0.00 O ATOM 365 CB VAL A 26 -1.238 -1.194 12.295 1.00 0.00 C ATOM 366 CG1 VAL A 26 -1.448 -0.629 13.691 1.00 0.00 C ATOM 367 CG2 VAL A 26 -2.583 -1.232 11.574 1.00 0.00 C ATOM 0 H VAL A 26 -0.013 -1.367 9.696 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.245 0.639 11.795 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.857 -2.213 12.362 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.215 -1.207 14.206 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.514 -0.685 14.251 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.765 0.411 13.619 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.299 -1.798 12.170 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.950 -0.215 11.435 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.461 -1.710 10.602 1.00 0.00 H new ATOM 377 N LYS A 27 1.660 -2.060 11.326 1.00 0.00 N ATOM 378 CA LYS A 27 2.759 -2.857 11.850 1.00 0.00 C ATOM 379 C LYS A 27 3.488 -3.684 10.794 1.00 0.00 C ATOM 380 O LYS A 27 2.903 -4.484 10.078 1.00 0.00 O ATOM 381 CB LYS A 27 2.333 -3.873 12.904 1.00 0.00 C ATOM 382 CG LYS A 27 2.133 -3.223 14.269 1.00 0.00 C ATOM 383 CD LYS A 27 1.428 -4.222 15.189 1.00 0.00 C ATOM 384 CE LYS A 27 -0.005 -4.474 14.734 1.00 0.00 C ATOM 385 NZ LYS A 27 -0.742 -5.279 15.708 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.271 -2.429 10.458 1.00 0.00 H new ATOM 0 HA LYS A 27 3.408 -2.088 12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.406 -4.354 12.591 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.088 -4.655 12.981 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.094 -2.931 14.693 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.539 -2.314 14.172 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.980 -5.162 15.200 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.426 -3.841 16.210 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.514 -3.522 14.588 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.002 -4.983 13.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.713 -5.432 15.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.269 -6.197 15.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.769 -4.781 16.621 1.00 0.00 H new ATOM 399 N VAL A 28 4.778 -3.357 10.656 1.00 0.00 N ATOM 400 CA VAL A 28 5.815 -3.919 9.809 1.00 0.00 C ATOM 401 C VAL A 28 7.074 -4.392 10.515 1.00 0.00 C ATOM 402 O VAL A 28 7.478 -3.681 11.426 1.00 0.00 O ATOM 403 CB VAL A 28 6.110 -2.853 8.753 1.00 0.00 C ATOM 404 CG1 VAL A 28 6.897 -3.491 7.626 1.00 0.00 C ATOM 405 CG2 VAL A 28 4.876 -2.192 8.136 1.00 0.00 C ATOM 0 H VAL A 28 5.159 -2.592 11.212 1.00 0.00 H new ATOM 0 HA VAL A 28 5.445 -4.849 9.379 1.00 0.00 H new ATOM 0 HB VAL A 28 6.659 -2.069 9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.115 -2.742 6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.832 -3.893 8.017 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.312 -4.297 7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.190 -1.452 7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.262 -2.950 7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.296 -1.703 8.918 1.00 0.00 H new ATOM 415 N PHE A 29 7.616 -5.546 10.103 1.00 0.00 N ATOM 416 CA PHE A 29 8.750 -6.195 10.736 1.00 0.00 C ATOM 417 C PHE A 29 9.886 -6.580 9.803 1.00 0.00 C ATOM 418 O PHE A 29 9.912 -6.288 8.611 1.00 0.00 O ATOM 419 CB PHE A 29 8.247 -7.383 11.544 1.00 0.00 C ATOM 420 CG PHE A 29 7.082 -7.083 12.460 1.00 0.00 C ATOM 421 CD1 PHE A 29 7.328 -6.744 13.798 1.00 0.00 C ATOM 422 CD2 PHE A 29 5.750 -7.327 12.094 1.00 0.00 C ATOM 423 CE1 PHE A 29 6.306 -6.676 14.745 1.00 0.00 C ATOM 424 CE2 PHE A 29 4.703 -7.180 13.010 1.00 0.00 C ATOM 425 CZ PHE A 29 4.978 -6.804 14.329 1.00 0.00 C ATOM 0 H PHE A 29 7.261 -6.060 9.297 1.00 0.00 H new ATOM 0 HA PHE A 29 9.209 -5.455 11.391 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.954 -8.175 10.854 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.071 -7.771 12.143 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.341 -6.529 14.105 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.528 -7.635 11.083 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.539 -6.526 15.789 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.684 -7.357 12.699 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.170 -6.614 15.020 1.00 0.00 H new ATOM 435 N ASP A 30 10.862 -7.363 10.287 1.00 0.00 N ATOM 436 CA ASP A 30 12.109 -7.568 9.577 1.00 0.00 C ATOM 437 C ASP A 30 12.228 -8.919 8.911 1.00 0.00 C ATOM 438 O ASP A 30 12.705 -9.006 7.773 1.00 0.00 O ATOM 439 CB ASP A 30 13.334 -7.309 10.455 1.00 0.00 C ATOM 440 CG ASP A 30 14.647 -7.584 9.730 1.00 0.00 C ATOM 441 OD1 ASP A 30 15.545 -8.177 10.331 1.00 0.00 O ATOM 442 OD2 ASP A 30 14.762 -7.108 8.577 1.00 0.00 O1- ATOM 0 H ASP A 30 10.799 -7.863 11.174 1.00 0.00 H new ATOM 0 HA ASP A 30 12.084 -6.823 8.781 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.321 -6.273 10.793 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.277 -7.936 11.345 1.00 0.00 H new ATOM 447 N ASN A 31 11.647 -9.968 9.509 1.00 0.00 N ATOM 448 CA ASN A 31 11.290 -11.268 8.983 1.00 0.00 C ATOM 449 C ASN A 31 9.852 -11.581 8.613 1.00 0.00 C ATOM 450 O ASN A 31 9.468 -12.720 8.373 1.00 0.00 O ATOM 451 CB ASN A 31 11.906 -12.223 10.006 1.00 0.00 C ATOM 452 CG ASN A 31 13.409 -12.128 10.207 1.00 0.00 C ATOM 453 OD1 ASN A 31 14.201 -12.669 9.452 1.00 0.00 O ATOM 454 ND2 ASN A 31 13.887 -11.383 11.213 1.00 0.00 N ATOM 0 H ASN A 31 11.390 -9.904 10.494 1.00 0.00 H new ATOM 0 HA ASN A 31 11.674 -11.355 7.967 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.422 -12.051 10.967 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.666 -13.243 9.707 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.894 -11.277 11.336 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.244 -10.922 11.856 1.00 0.00 H new ATOM 461 N ALA A 32 9.011 -10.540 8.634 1.00 0.00 N ATOM 462 CA ALA A 32 7.613 -10.655 8.285 1.00 0.00 C ATOM 463 C ALA A 32 7.211 -9.466 7.423 1.00 0.00 C ATOM 464 O ALA A 32 6.788 -8.448 7.962 1.00 0.00 O ATOM 465 CB ALA A 32 6.798 -10.809 9.563 1.00 0.00 C ATOM 0 H ALA A 32 9.294 -9.596 8.896 1.00 0.00 H new ATOM 0 HA ALA A 32 7.416 -11.543 7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.741 -10.897 9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.120 -11.704 10.094 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.949 -9.936 10.198 1.00 0.00 H new ATOM 471 N PRO A 33 7.202 -9.573 6.091 1.00 0.00 N ATOM 472 CA PRO A 33 6.662 -8.531 5.244 1.00 0.00 C ATOM 473 C PRO A 33 5.175 -8.321 5.489 1.00 0.00 C ATOM 474 O PRO A 33 4.363 -9.219 5.300 1.00 0.00 O ATOM 475 CB PRO A 33 6.942 -9.074 3.853 1.00 0.00 C ATOM 476 CG PRO A 33 8.233 -9.881 3.966 1.00 0.00 C ATOM 477 CD PRO A 33 8.126 -10.442 5.373 1.00 0.00 C ATOM 0 HA PRO A 33 7.101 -7.549 5.421 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.120 -9.700 3.506 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.051 -8.263 3.133 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.290 -10.669 3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.118 -9.257 3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.760 -11.469 5.355 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.101 -10.459 5.860 1.00 0.00 H new ATOM 485 N ALA A 34 4.822 -7.058 5.725 1.00 0.00 N ATOM 486 CA ALA A 34 3.444 -6.711 6.019 1.00 0.00 C ATOM 487 C ALA A 34 2.719 -6.339 4.726 1.00 0.00 C ATOM 488 O ALA A 34 3.303 -5.953 3.719 1.00 0.00 O ATOM 489 CB ALA A 34 3.381 -5.589 7.040 1.00 0.00 C ATOM 0 H ALA A 34 5.469 -6.269 5.717 1.00 0.00 H new ATOM 0 HA ALA A 34 2.941 -7.574 6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.339 -5.343 7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.869 -5.908 7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.890 -4.709 6.646 1.00 0.00 H new ATOM 495 N GLU A 35 1.393 -6.477 4.756 1.00 0.00 N ATOM 496 CA GLU A 35 0.563 -6.389 3.577 1.00 0.00 C ATOM 497 C GLU A 35 -0.630 -5.496 3.907 1.00 0.00 C ATOM 498 O GLU A 35 -1.148 -5.495 5.025 1.00 0.00 O ATOM 499 CB GLU A 35 0.027 -7.734 3.113 1.00 0.00 C ATOM 500 CG GLU A 35 1.101 -8.797 2.879 1.00 0.00 C ATOM 501 CD GLU A 35 0.446 -9.965 2.150 1.00 0.00 C ATOM 502 OE1 GLU A 35 0.245 -9.889 0.922 1.00 0.00 O ATOM 503 OE2 GLU A 35 0.081 -10.935 2.836 1.00 0.00 O1- ATOM 0 H GLU A 35 0.870 -6.655 5.613 1.00 0.00 H new ATOM 0 HA GLU A 35 1.182 -5.990 2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.679 -8.106 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.531 -7.589 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.921 -8.389 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.525 -9.127 3.827 1.00 0.00 H new ATOM 510 N PHE A 36 -1.115 -4.813 2.863 1.00 0.00 N ATOM 511 CA PHE A 36 -2.375 -4.107 2.897 1.00 0.00 C ATOM 512 C PHE A 36 -2.726 -3.901 1.434 1.00 0.00 C ATOM 513 O PHE A 36 -1.987 -4.156 0.486 1.00 0.00 O ATOM 514 CB PHE A 36 -2.218 -2.862 3.758 1.00 0.00 C ATOM 515 CG PHE A 36 -1.410 -1.717 3.196 1.00 0.00 C ATOM 516 CD1 PHE A 36 -2.119 -0.746 2.477 1.00 0.00 C ATOM 517 CD2 PHE A 36 -0.015 -1.741 3.065 1.00 0.00 C ATOM 518 CE1 PHE A 36 -1.453 0.258 1.747 1.00 0.00 C ATOM 519 CE2 PHE A 36 0.637 -0.731 2.354 1.00 0.00 C ATOM 520 CZ PHE A 36 -0.058 0.323 1.745 1.00 0.00 C ATOM 0 H PHE A 36 -0.630 -4.742 1.969 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.208 -4.628 3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.215 -2.487 3.990 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.763 -3.162 4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.199 -0.768 2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.556 -2.540 3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.025 0.982 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.713 -0.763 2.271 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.465 1.153 1.292 1.00 0.00 H new ATOM 530 N THR A 37 -3.944 -3.383 1.276 1.00 0.00 N ATOM 531 CA THR A 37 -4.854 -3.392 0.146 1.00 0.00 C ATOM 532 C THR A 37 -5.361 -2.020 -0.277 1.00 0.00 C ATOM 533 O THR A 37 -5.938 -1.263 0.499 1.00 0.00 O ATOM 534 CB THR A 37 -6.026 -4.258 0.589 1.00 0.00 C ATOM 535 OG1 THR A 37 -5.562 -5.503 1.084 1.00 0.00 O ATOM 536 CG2 THR A 37 -7.013 -4.587 -0.528 1.00 0.00 C ATOM 0 H THR A 37 -4.368 -2.877 2.054 1.00 0.00 H new ATOM 0 HA THR A 37 -4.327 -3.767 -0.731 1.00 0.00 H new ATOM 0 HB THR A 37 -6.534 -3.665 1.349 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.326 -6.048 1.366 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.818 -5.206 -0.132 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.430 -3.663 -0.929 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.497 -5.127 -1.322 1.00 0.00 H new ATOM 544 N ILE A 38 -5.012 -1.680 -1.526 1.00 0.00 N ATOM 545 CA ILE A 38 -5.443 -0.508 -2.265 1.00 0.00 C ATOM 546 C ILE A 38 -6.866 -0.790 -2.715 1.00 0.00 C ATOM 547 O ILE A 38 -7.044 -1.586 -3.622 1.00 0.00 O ATOM 548 CB ILE A 38 -4.589 -0.090 -3.462 1.00 0.00 C ATOM 549 CG1 ILE A 38 -3.122 0.093 -3.073 1.00 0.00 C ATOM 550 CG2 ILE A 38 -5.195 1.196 -3.999 1.00 0.00 C ATOM 551 CD1 ILE A 38 -2.751 1.119 -2.003 1.00 0.00 C ATOM 0 H ILE A 38 -4.379 -2.262 -2.074 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.347 0.343 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.591 -0.865 -4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.749 -0.876 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.574 0.352 -3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.619 1.538 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.226 1.014 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.175 1.960 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.671 1.115 -1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.070 2.111 -2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.247 0.864 -1.067 1.00 0.00 H new ATOM 563 N PHE A 39 -7.922 -0.348 -2.019 1.00 0.00 N ATOM 564 CA PHE A 39 -9.272 -0.449 -2.537 1.00 0.00 C ATOM 565 C PHE A 39 -9.671 0.660 -3.518 1.00 0.00 C ATOM 566 O PHE A 39 -9.937 1.781 -3.136 1.00 0.00 O ATOM 567 CB PHE A 39 -10.293 -0.682 -1.427 1.00 0.00 C ATOM 568 CG PHE A 39 -10.310 0.450 -0.423 1.00 0.00 C ATOM 569 CD1 PHE A 39 -11.265 1.458 -0.579 1.00 0.00 C ATOM 570 CD2 PHE A 39 -9.484 0.446 0.701 1.00 0.00 C ATOM 571 CE1 PHE A 39 -11.542 2.385 0.433 1.00 0.00 C ATOM 572 CE2 PHE A 39 -9.612 1.442 1.669 1.00 0.00 C ATOM 573 CZ PHE A 39 -10.671 2.371 1.529 1.00 0.00 C ATOM 0 H PHE A 39 -7.856 0.082 -1.096 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.275 -1.344 -3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.285 -0.793 -1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.064 -1.617 -0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.807 1.524 -1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.743 -0.331 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.376 3.069 0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.924 1.503 2.500 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.814 3.106 2.307 1.00 0.00 H new ATOM 583 N ALA A 40 -9.623 0.367 -4.827 1.00 0.00 N ATOM 584 CA ALA A 40 -9.712 1.284 -5.938 1.00 0.00 C ATOM 585 C ALA A 40 -11.053 1.408 -6.652 1.00 0.00 C ATOM 586 O ALA A 40 -11.664 0.366 -6.916 1.00 0.00 O ATOM 587 CB ALA A 40 -8.648 0.928 -6.980 1.00 0.00 C ATOM 0 H ALA A 40 -9.512 -0.596 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.560 2.256 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.715 1.620 -7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.658 0.999 -6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.812 -0.089 -7.335 1.00 0.00 H new ATOM 593 N VAL A 41 -11.467 2.633 -6.977 1.00 0.00 N ATOM 594 CA VAL A 41 -12.576 3.012 -7.823 1.00 0.00 C ATOM 595 C VAL A 41 -12.242 4.119 -8.820 1.00 0.00 C ATOM 596 O VAL A 41 -11.266 4.849 -8.698 1.00 0.00 O ATOM 597 CB VAL A 41 -13.707 3.567 -6.953 1.00 0.00 C ATOM 598 CG1 VAL A 41 -14.956 4.193 -7.549 1.00 0.00 C ATOM 599 CG2 VAL A 41 -14.234 2.614 -5.885 1.00 0.00 C ATOM 0 H VAL A 41 -10.982 3.455 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 41 -12.847 2.109 -8.371 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.094 4.388 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -15.619 4.516 -6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -14.677 5.053 -8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -15.469 3.460 -8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -15.031 3.101 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.623 1.714 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.425 2.345 -5.206 1.00 0.00 H new ATOM 609 N ASP A 42 -12.983 4.217 -9.927 1.00 0.00 N ATOM 610 CA ASP A 42 -12.801 5.304 -10.866 1.00 0.00 C ATOM 611 C ASP A 42 -13.439 6.581 -10.314 1.00 0.00 C ATOM 612 O ASP A 42 -12.825 7.601 -10.016 1.00 0.00 O ATOM 613 CB ASP A 42 -13.303 4.960 -12.270 1.00 0.00 C ATOM 614 CG ASP A 42 -14.646 4.274 -12.391 1.00 0.00 C ATOM 615 OD1 ASP A 42 -14.964 3.768 -13.496 1.00 0.00 O ATOM 616 OD2 ASP A 42 -15.502 4.259 -11.476 1.00 0.00 O1- ATOM 0 H ASP A 42 -13.712 3.552 -10.186 1.00 0.00 H new ATOM 0 HA ASP A 42 -11.731 5.478 -10.979 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.346 5.884 -12.846 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.557 4.323 -12.745 1.00 0.00 H new ATOM 621 N THR A 43 -14.776 6.577 -10.313 1.00 0.00 N ATOM 622 CA THR A 43 -15.780 7.569 -9.969 1.00 0.00 C ATOM 623 C THR A 43 -17.048 6.807 -9.607 1.00 0.00 C ATOM 624 O THR A 43 -17.750 7.331 -8.732 1.00 0.00 O ATOM 625 CB THR A 43 -16.107 8.689 -10.948 1.00 0.00 C ATOM 626 OG1 THR A 43 -16.528 8.062 -12.129 1.00 0.00 O ATOM 627 CG2 THR A 43 -14.859 9.553 -11.133 1.00 0.00 C ATOM 0 H THR A 43 -15.249 5.722 -10.607 1.00 0.00 H new ATOM 0 HA THR A 43 -15.329 8.137 -9.155 1.00 0.00 H new ATOM 0 HB THR A 43 -16.896 9.356 -10.602 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.754 8.742 -12.798 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.076 10.361 -11.832 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.562 9.974 -10.172 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.048 8.941 -11.527 1.00 0.00 H new ATOM 635 N LYS A 44 -17.462 5.723 -10.264 1.00 0.00 N ATOM 636 CA LYS A 44 -18.858 5.326 -10.307 1.00 0.00 C ATOM 637 C LYS A 44 -19.205 4.441 -9.115 1.00 0.00 C ATOM 638 O LYS A 44 -20.054 3.554 -9.164 1.00 0.00 O ATOM 639 CB LYS A 44 -19.290 4.690 -11.624 1.00 0.00 C ATOM 640 CG LYS A 44 -18.950 5.525 -12.847 1.00 0.00 C ATOM 641 CD LYS A 44 -19.388 4.899 -14.171 1.00 0.00 C ATOM 642 CE LYS A 44 -18.556 3.628 -14.349 1.00 0.00 C ATOM 643 NZ LYS A 44 -18.876 2.825 -15.546 1.00 0.00 N1+ ATOM 0 H LYS A 44 -16.837 5.102 -10.778 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.433 6.250 -10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.815 3.713 -11.718 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.366 4.520 -11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.419 6.504 -12.747 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.873 5.689 -12.874 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -20.453 4.666 -14.156 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -19.224 5.589 -14.999 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.503 3.906 -14.390 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.687 3.002 -13.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.260 1.987 -15.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.870 2.523 -15.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.723 3.399 -16.400 1.00 0.00 H new ATOM 657 N GLY A 45 -18.516 4.597 -7.978 1.00 0.00 N ATOM 658 CA GLY A 45 -18.824 4.015 -6.693 1.00 0.00 C ATOM 659 C GLY A 45 -18.441 2.556 -6.523 1.00 0.00 C ATOM 660 O GLY A 45 -17.818 2.185 -5.531 1.00 0.00 O ATOM 0 H GLY A 45 -17.675 5.174 -7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.320 4.596 -5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -19.895 4.113 -6.517 1.00 0.00 H new ATOM 664 N VAL A 46 -18.678 1.751 -7.548 1.00 0.00 N ATOM 665 CA VAL A 46 -18.192 0.389 -7.700 1.00 0.00 C ATOM 666 C VAL A 46 -16.698 0.274 -7.975 1.00 0.00 C ATOM 667 O VAL A 46 -16.052 1.193 -8.494 1.00 0.00 O ATOM 668 CB VAL A 46 -18.914 -0.322 -8.837 1.00 0.00 C ATOM 669 CG1 VAL A 46 -18.754 -1.821 -8.636 1.00 0.00 C ATOM 670 CG2 VAL A 46 -20.415 -0.134 -8.701 1.00 0.00 C ATOM 0 H VAL A 46 -19.247 2.048 -8.341 1.00 0.00 H new ATOM 0 HA VAL A 46 -18.394 -0.074 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.517 0.061 -9.777 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.264 -2.352 -9.440 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.695 -2.078 -8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.189 -2.108 -7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -20.921 -0.646 -9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.749 -0.550 -7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -20.653 0.929 -8.736 1.00 0.00 H new ATOM 680 N ALA A 47 -16.118 -0.794 -7.422 1.00 0.00 N ATOM 681 CA ALA A 47 -14.704 -1.049 -7.646 1.00 0.00 C ATOM 682 C ALA A 47 -14.279 -0.931 -9.106 1.00 0.00 C ATOM 683 O ALA A 47 -15.092 -1.088 -10.014 1.00 0.00 O ATOM 684 CB ALA A 47 -14.371 -2.415 -7.058 1.00 0.00 C ATOM 0 H ALA A 47 -16.595 -1.476 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.130 -0.272 -7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.314 -2.630 -7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.588 -2.414 -5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.973 -3.179 -7.550 1.00 0.00 H new ATOM 690 N ARG A 48 -12.972 -0.789 -9.300 1.00 0.00 N ATOM 691 CA ARG A 48 -12.401 -0.780 -10.639 1.00 0.00 C ATOM 692 C ARG A 48 -12.587 -2.118 -11.328 1.00 0.00 C ATOM 693 O ARG A 48 -12.077 -3.147 -10.875 1.00 0.00 O ATOM 694 CB ARG A 48 -10.904 -0.506 -10.516 1.00 0.00 C ATOM 695 CG ARG A 48 -10.437 0.921 -10.270 1.00 0.00 C ATOM 696 CD ARG A 48 -10.583 1.820 -11.500 1.00 0.00 C ATOM 697 NE ARG A 48 -9.720 1.365 -12.592 1.00 0.00 N ATOM 698 CZ ARG A 48 -10.057 0.748 -13.732 1.00 0.00 C ATOM 699 NH1 ARG A 48 -11.319 0.636 -14.188 1.00 0.00 N1+ ATOM 700 NH2 ARG A 48 -9.089 0.193 -14.456 1.00 0.00 N ATOM 0 H ARG A 48 -12.291 -0.679 -8.548 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.904 -0.014 -11.229 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.521 -1.123 -9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.428 -0.855 -11.432 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.009 1.347 -9.446 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.392 0.907 -9.959 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.622 1.823 -11.831 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.329 2.847 -11.236 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.723 1.543 -12.467 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.091 1.036 -13.655 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.503 0.151 -15.067 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.121 0.244 -14.138 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.315 -0.284 -15.329 1.00 0.00 H new ATOM 714 N THR A 49 -13.398 -2.169 -12.391 1.00 0.00 N ATOM 715 CA THR A 49 -14.017 -3.285 -13.061 1.00 0.00 C ATOM 716 C THR A 49 -13.155 -3.871 -14.165 1.00 0.00 C ATOM 717 O THR A 49 -13.554 -4.830 -14.831 1.00 0.00 O ATOM 718 CB THR A 49 -15.330 -2.829 -13.688 1.00 0.00 C ATOM 719 OG1 THR A 49 -15.264 -1.653 -14.473 1.00 0.00 O ATOM 720 CG2 THR A 49 -16.395 -2.408 -12.682 1.00 0.00 C ATOM 0 H THR A 49 -13.662 -1.299 -12.853 1.00 0.00 H new ATOM 0 HA THR A 49 -14.170 -4.056 -12.306 1.00 0.00 H new ATOM 0 HB THR A 49 -15.562 -3.726 -14.262 1.00 0.00 H new ATOM 0 HG1 THR A 49 -16.108 -1.535 -14.957 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.295 -2.099 -13.213 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.630 -3.248 -12.028 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.022 -1.576 -12.084 1.00 0.00 H new ATOM 728 N ASP A 50 -11.912 -3.414 -14.369 1.00 0.00 N ATOM 729 CA ASP A 50 -10.761 -3.931 -15.075 1.00 0.00 C ATOM 730 C ASP A 50 -9.507 -3.370 -14.429 1.00 0.00 C ATOM 731 O ASP A 50 -9.510 -2.643 -13.433 1.00 0.00 O ATOM 732 CB ASP A 50 -10.924 -3.611 -16.562 1.00 0.00 C ATOM 733 CG ASP A 50 -11.324 -2.187 -16.908 1.00 0.00 C ATOM 734 OD1 ASP A 50 -12.180 -1.947 -17.781 1.00 0.00 O ATOM 735 OD2 ASP A 50 -10.816 -1.287 -16.204 1.00 0.00 O1- ATOM 0 H ASP A 50 -11.666 -2.511 -13.962 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.672 -5.015 -15.008 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.982 -3.833 -17.064 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.673 -4.286 -16.976 1.00 0.00 H new ATOM 740 N GLY A 51 -8.334 -3.859 -14.856 1.00 0.00 N ATOM 741 CA GLY A 51 -7.182 -3.948 -13.991 1.00 0.00 C ATOM 742 C GLY A 51 -5.930 -3.516 -14.751 1.00 0.00 C ATOM 743 O GLY A 51 -5.956 -3.024 -15.876 1.00 0.00 O ATOM 0 H GLY A 51 -8.173 -4.197 -15.805 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.324 -3.315 -13.115 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.065 -4.970 -13.630 1.00 0.00 H new ATOM 747 N GLY A 52 -4.773 -3.633 -14.102 1.00 0.00 N ATOM 748 CA GLY A 52 -3.455 -3.269 -14.586 1.00 0.00 C ATOM 749 C GLY A 52 -3.346 -1.771 -14.835 1.00 0.00 C ATOM 750 O GLY A 52 -2.840 -1.383 -15.889 1.00 0.00 O ATOM 0 H GLY A 52 -4.736 -4.013 -13.156 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.702 -3.574 -13.859 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.243 -3.809 -15.509 1.00 0.00 H new ATOM 754 N ASP A 53 -3.903 -0.962 -13.932 1.00 0.00 N ATOM 755 CA ASP A 53 -3.644 0.474 -13.923 1.00 0.00 C ATOM 756 C ASP A 53 -2.243 0.692 -13.376 1.00 0.00 C ATOM 757 O ASP A 53 -1.649 -0.247 -12.869 1.00 0.00 O ATOM 758 CB ASP A 53 -4.642 1.380 -13.195 1.00 0.00 C ATOM 759 CG ASP A 53 -6.067 1.256 -13.690 1.00 0.00 C ATOM 760 OD1 ASP A 53 -6.334 1.095 -14.899 1.00 0.00 O ATOM 761 OD2 ASP A 53 -6.961 1.259 -12.811 1.00 0.00 O1- ATOM 0 H ASP A 53 -4.536 -1.280 -13.198 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.760 0.786 -14.961 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.617 1.147 -12.130 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.321 2.416 -13.302 1.00 0.00 H new ATOM 766 N PRO A 54 -1.516 1.793 -13.641 1.00 0.00 N ATOM 767 CA PRO A 54 -0.235 2.046 -13.022 1.00 0.00 C ATOM 768 C PRO A 54 -0.334 2.776 -11.696 1.00 0.00 C ATOM 769 O PRO A 54 -1.093 3.703 -11.409 1.00 0.00 O ATOM 770 CB PRO A 54 0.506 2.870 -14.081 1.00 0.00 C ATOM 771 CG PRO A 54 -0.584 3.609 -14.846 1.00 0.00 C ATOM 772 CD PRO A 54 -1.739 2.612 -14.811 1.00 0.00 C ATOM 0 HA PRO A 54 0.278 1.122 -12.754 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.205 3.567 -13.619 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.087 2.229 -14.744 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.847 4.553 -14.369 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.278 3.842 -15.866 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.698 3.126 -14.751 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.759 2.004 -15.716 1.00 0.00 H new ATOM 780 N PHE A 55 0.446 2.282 -10.730 1.00 0.00 N ATOM 781 CA PHE A 55 0.415 2.744 -9.351 1.00 0.00 C ATOM 782 C PHE A 55 1.804 2.647 -8.725 1.00 0.00 C ATOM 783 O PHE A 55 2.638 1.792 -9.000 1.00 0.00 O ATOM 784 CB PHE A 55 -0.514 1.870 -8.517 1.00 0.00 C ATOM 785 CG PHE A 55 -1.979 2.249 -8.602 1.00 0.00 C ATOM 786 CD1 PHE A 55 -2.552 3.045 -7.595 1.00 0.00 C ATOM 787 CD2 PHE A 55 -2.827 1.650 -9.534 1.00 0.00 C ATOM 788 CE1 PHE A 55 -3.920 3.260 -7.505 1.00 0.00 C ATOM 789 CE2 PHE A 55 -4.207 1.750 -9.331 1.00 0.00 C ATOM 790 CZ PHE A 55 -4.782 2.527 -8.333 1.00 0.00 C ATOM 0 H PHE A 55 1.125 1.539 -10.893 1.00 0.00 H new ATOM 0 HA PHE A 55 0.067 3.777 -9.361 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.401 0.834 -8.836 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.199 1.919 -7.475 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.904 3.506 -6.865 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.429 1.124 -10.389 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.315 3.982 -6.806 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.861 1.193 -9.985 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.853 2.565 -8.200 1.00 0.00 H new ATOM 800 N GLU A 56 2.071 3.523 -7.743 1.00 0.00 N ATOM 801 CA GLU A 56 3.345 3.503 -7.059 1.00 0.00 C ATOM 802 C GLU A 56 3.140 3.763 -5.572 1.00 0.00 C ATOM 803 O GLU A 56 2.251 4.554 -5.252 1.00 0.00 O ATOM 804 CB GLU A 56 4.334 4.460 -7.707 1.00 0.00 C ATOM 805 CG GLU A 56 5.628 4.565 -6.908 1.00 0.00 C ATOM 806 CD GLU A 56 6.684 5.163 -7.831 1.00 0.00 C ATOM 807 OE1 GLU A 56 6.950 6.354 -7.588 1.00 0.00 O ATOM 808 OE2 GLU A 56 7.242 4.429 -8.665 1.00 0.00 O1- ATOM 0 H GLU A 56 1.422 4.240 -7.418 1.00 0.00 H new ATOM 0 HA GLU A 56 3.790 2.512 -7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.558 4.121 -8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.880 5.447 -7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.487 5.193 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.940 3.583 -6.552 1.00 0.00 H new ATOM 815 N VAL A 57 3.875 3.133 -4.647 1.00 0.00 N ATOM 816 CA VAL A 57 3.854 3.254 -3.203 1.00 0.00 C ATOM 817 C VAL A 57 5.299 3.471 -2.778 1.00 0.00 C ATOM 818 O VAL A 57 6.067 2.522 -2.613 1.00 0.00 O ATOM 819 CB VAL A 57 3.136 2.042 -2.614 1.00 0.00 C ATOM 820 CG1 VAL A 57 2.979 2.393 -1.133 1.00 0.00 C ATOM 821 CG2 VAL A 57 1.734 1.949 -3.195 1.00 0.00 C ATOM 0 H VAL A 57 4.575 2.451 -4.937 1.00 0.00 H new ATOM 0 HA VAL A 57 3.285 4.101 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 57 3.672 1.113 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.470 1.578 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.963 2.545 -0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.392 3.306 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.222 1.084 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.178 2.854 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.795 1.843 -4.278 1.00 0.00 H new ATOM 831 N ALA A 58 5.701 4.750 -2.903 1.00 0.00 N ATOM 832 CA ALA A 58 6.994 5.260 -2.503 1.00 0.00 C ATOM 833 C ALA A 58 7.037 5.865 -1.111 1.00 0.00 C ATOM 834 O ALA A 58 6.168 6.617 -0.674 1.00 0.00 O ATOM 835 CB ALA A 58 7.482 6.218 -3.594 1.00 0.00 C ATOM 0 H ALA A 58 5.100 5.471 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 58 7.680 4.418 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.457 6.618 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.565 5.681 -4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.771 7.037 -3.703 1.00 0.00 H new ATOM 841 N ILE A 59 8.039 5.466 -0.328 1.00 0.00 N ATOM 842 CA ILE A 59 8.109 5.633 1.108 1.00 0.00 C ATOM 843 C ILE A 59 9.400 6.383 1.437 1.00 0.00 C ATOM 844 O ILE A 59 10.418 6.207 0.774 1.00 0.00 O ATOM 845 CB ILE A 59 8.057 4.209 1.651 1.00 0.00 C ATOM 846 CG1 ILE A 59 6.598 3.775 1.552 1.00 0.00 C ATOM 847 CG2 ILE A 59 8.531 4.015 3.086 1.00 0.00 C ATOM 848 CD1 ILE A 59 6.544 2.278 1.252 1.00 0.00 C ATOM 0 H ILE A 59 8.861 4.995 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 59 7.306 6.222 1.552 1.00 0.00 H new ATOM 0 HB ILE A 59 8.753 3.615 1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.077 3.991 2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.091 4.335 0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.447 2.963 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.571 4.330 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.915 4.613 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.504 1.959 1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.052 2.077 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.037 1.728 2.054 1.00 0.00 H new ATOM 860 N ASN A 60 9.449 7.043 2.589 1.00 0.00 N ATOM 861 CA ASN A 60 10.666 7.147 3.378 1.00 0.00 C ATOM 862 C ASN A 60 10.595 6.464 4.740 1.00 0.00 C ATOM 863 O ASN A 60 9.557 6.659 5.379 1.00 0.00 O ATOM 864 CB ASN A 60 10.841 8.654 3.568 1.00 0.00 C ATOM 865 CG ASN A 60 11.220 9.351 2.264 1.00 0.00 C ATOM 866 OD1 ASN A 60 12.218 9.080 1.592 1.00 0.00 O ATOM 867 ND2 ASN A 60 10.431 10.278 1.747 1.00 0.00 N ATOM 0 H ASN A 60 8.646 7.520 3.000 1.00 0.00 H new ATOM 0 HA ASN A 60 11.490 6.647 2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.915 9.082 3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.612 8.839 4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.669 10.711 0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.584 10.560 2.241 1.00 0.00 H new ATOM 874 N GLY A 61 11.598 5.677 5.112 1.00 0.00 N ATOM 875 CA GLY A 61 11.856 5.301 6.482 1.00 0.00 C ATOM 876 C GLY A 61 12.598 6.421 7.218 1.00 0.00 C ATOM 877 O GLY A 61 12.516 7.603 6.852 1.00 0.00 O ATOM 0 H GLY A 61 12.264 5.278 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.915 5.086 6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.448 4.386 6.508 1.00 0.00 H new ATOM 881 N PRO A 62 13.387 6.086 8.238 1.00 0.00 N ATOM 882 CA PRO A 62 13.992 7.023 9.152 1.00 0.00 C ATOM 883 C PRO A 62 15.269 7.605 8.563 1.00 0.00 C ATOM 884 O PRO A 62 16.174 6.886 8.161 1.00 0.00 O ATOM 885 CB PRO A 62 14.235 6.361 10.509 1.00 0.00 C ATOM 886 CG PRO A 62 13.479 5.025 10.428 1.00 0.00 C ATOM 887 CD PRO A 62 13.414 4.793 8.920 1.00 0.00 C ATOM 0 HA PRO A 62 13.305 7.854 9.311 1.00 0.00 H new ATOM 0 HB2 PRO A 62 15.299 6.205 10.689 1.00 0.00 H new ATOM 0 HB3 PRO A 62 13.861 6.980 11.325 1.00 0.00 H new ATOM 0 HG2 PRO A 62 14.009 4.223 10.942 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.487 5.089 10.875 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.276 4.212 8.591 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.525 4.215 8.666 1.00 0.00 H new ATOM 895 N ASP A 63 15.217 8.936 8.496 1.00 0.00 N ATOM 896 CA ASP A 63 15.958 9.815 7.611 1.00 0.00 C ATOM 897 C ASP A 63 16.284 9.162 6.275 1.00 0.00 C ATOM 898 O ASP A 63 15.401 9.151 5.421 1.00 0.00 O ATOM 899 CB ASP A 63 17.150 10.438 8.355 1.00 0.00 C ATOM 900 CG ASP A 63 17.626 11.711 7.669 1.00 0.00 C ATOM 901 OD1 ASP A 63 18.542 12.381 8.193 1.00 0.00 O ATOM 902 OD2 ASP A 63 16.965 12.202 6.735 1.00 0.00 O1- ATOM 0 H ASP A 63 14.601 9.464 9.115 1.00 0.00 H new ATOM 0 HA ASP A 63 15.321 10.652 7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.863 10.661 9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.968 9.719 8.401 1.00 0.00 H new ATOM 907 N GLY A 64 17.439 8.524 6.095 1.00 0.00 N ATOM 908 CA GLY A 64 17.967 8.103 4.820 1.00 0.00 C ATOM 909 C GLY A 64 17.364 6.867 4.152 1.00 0.00 C ATOM 910 O GLY A 64 17.883 6.398 3.154 1.00 0.00 O ATOM 0 H GLY A 64 18.051 8.281 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.864 8.938 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.035 7.924 4.946 1.00 0.00 H new ATOM 914 N LEU A 65 16.336 6.237 4.718 1.00 0.00 N ATOM 915 CA LEU A 65 15.802 4.988 4.195 1.00 0.00 C ATOM 916 C LEU A 65 14.773 5.300 3.124 1.00 0.00 C ATOM 917 O LEU A 65 13.568 5.435 3.372 1.00 0.00 O ATOM 918 CB LEU A 65 15.432 4.110 5.390 1.00 0.00 C ATOM 919 CG LEU A 65 14.756 2.795 5.001 1.00 0.00 C ATOM 920 CD1 LEU A 65 15.630 1.959 4.079 1.00 0.00 C ATOM 921 CD2 LEU A 65 14.705 2.028 6.327 1.00 0.00 C ATOM 0 H LEU A 65 15.854 6.579 5.549 1.00 0.00 H new ATOM 0 HA LEU A 65 16.505 4.366 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.334 3.890 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.767 4.669 6.048 1.00 0.00 H new ATOM 0 HG LEU A 65 13.804 2.979 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.112 1.034 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 65 15.837 2.519 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.569 1.724 4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.235 1.058 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.718 1.883 6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.126 2.597 7.054 1.00 0.00 H new ATOM 933 N VAL A 66 15.345 5.377 1.926 1.00 0.00 N ATOM 934 CA VAL A 66 14.539 5.432 0.718 1.00 0.00 C ATOM 935 C VAL A 66 13.947 4.107 0.268 1.00 0.00 C ATOM 936 O VAL A 66 14.640 3.166 -0.096 1.00 0.00 O ATOM 937 CB VAL A 66 15.305 5.969 -0.483 1.00 0.00 C ATOM 938 CG1 VAL A 66 14.683 6.093 -1.874 1.00 0.00 C ATOM 939 CG2 VAL A 66 15.779 7.385 -0.112 1.00 0.00 C ATOM 0 H VAL A 66 16.353 5.402 1.770 1.00 0.00 H new ATOM 0 HA VAL A 66 13.735 6.102 1.023 1.00 0.00 H new ATOM 0 HB VAL A 66 16.040 5.177 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.419 6.500 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.365 5.109 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.821 6.758 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 66 16.336 7.813 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.915 8.012 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.423 7.335 0.766 1.00 0.00 H new ATOM 949 N VAL A 67 12.630 3.940 0.281 1.00 0.00 N ATOM 950 CA VAL A 67 11.934 2.692 -0.001 1.00 0.00 C ATOM 951 C VAL A 67 10.795 2.797 -1.015 1.00 0.00 C ATOM 952 O VAL A 67 10.244 3.870 -1.151 1.00 0.00 O ATOM 953 CB VAL A 67 11.465 2.169 1.358 1.00 0.00 C ATOM 954 CG1 VAL A 67 10.366 1.102 1.265 1.00 0.00 C ATOM 955 CG2 VAL A 67 12.640 1.499 2.070 1.00 0.00 C ATOM 0 H VAL A 67 11.991 4.705 0.498 1.00 0.00 H new ATOM 0 HA VAL A 67 12.614 2.000 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 67 11.071 3.037 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.086 0.780 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.495 1.520 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.736 0.247 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.312 1.124 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.007 0.670 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.440 2.225 2.214 1.00 0.00 H new ATOM 965 N ASP A 68 10.483 1.704 -1.723 1.00 0.00 N ATOM 966 CA ASP A 68 9.208 1.540 -2.394 1.00 0.00 C ATOM 967 C ASP A 68 8.637 0.178 -2.012 1.00 0.00 C ATOM 968 O ASP A 68 9.415 -0.729 -1.736 1.00 0.00 O ATOM 969 CB ASP A 68 9.318 1.694 -3.906 1.00 0.00 C ATOM 970 CG ASP A 68 10.426 0.960 -4.643 1.00 0.00 C ATOM 971 OD1 ASP A 68 11.546 1.508 -4.724 1.00 0.00 O ATOM 972 OD2 ASP A 68 10.260 -0.156 -5.183 1.00 0.00 O1- ATOM 0 H ASP A 68 11.116 0.913 -1.841 1.00 0.00 H new ATOM 0 HA ASP A 68 8.534 2.332 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.369 1.377 -4.339 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.428 2.757 -4.121 1.00 0.00 H new ATOM 977 N ALA A 69 7.326 0.090 -1.744 1.00 0.00 N ATOM 978 CA ALA A 69 6.608 -1.117 -1.426 1.00 0.00 C ATOM 979 C ALA A 69 6.038 -1.783 -2.669 1.00 0.00 C ATOM 980 O ALA A 69 5.693 -1.191 -3.693 1.00 0.00 O ATOM 981 CB ALA A 69 5.481 -0.754 -0.464 1.00 0.00 C ATOM 0 H ALA A 69 6.721 0.912 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 69 7.295 -1.830 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.920 -1.652 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.902 -0.317 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.815 -0.034 -0.939 1.00 0.00 H new ATOM 987 N LYS A 70 5.929 -3.118 -2.632 1.00 0.00 N ATOM 988 CA LYS A 70 5.748 -3.886 -3.843 1.00 0.00 C ATOM 989 C LYS A 70 4.253 -4.088 -4.073 1.00 0.00 C ATOM 990 O LYS A 70 3.548 -4.774 -3.330 1.00 0.00 O ATOM 991 CB LYS A 70 6.512 -5.206 -3.839 1.00 0.00 C ATOM 992 CG LYS A 70 8.006 -5.152 -3.549 1.00 0.00 C ATOM 993 CD LYS A 70 8.738 -4.061 -4.334 1.00 0.00 C ATOM 994 CE LYS A 70 10.138 -3.727 -3.823 1.00 0.00 C ATOM 995 NZ LYS A 70 10.830 -2.821 -4.758 1.00 0.00 N1+ ATOM 0 H LYS A 70 5.964 -3.673 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 70 6.174 -3.324 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.049 -5.860 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.375 -5.677 -4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.156 -4.985 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.450 -6.119 -3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.813 -4.372 -5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.134 -3.154 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.070 -3.261 -2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.715 -4.644 -3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.838 -2.766 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.734 -3.184 -5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.407 -1.873 -4.700 1.00 0.00 H new ATOM 1009 N VAL A 71 3.788 -3.498 -5.175 1.00 0.00 N ATOM 1010 CA VAL A 71 2.376 -3.503 -5.526 1.00 0.00 C ATOM 1011 C VAL A 71 2.095 -4.623 -6.524 1.00 0.00 C ATOM 1012 O VAL A 71 2.856 -4.813 -7.473 1.00 0.00 O ATOM 1013 CB VAL A 71 1.935 -2.191 -6.154 1.00 0.00 C ATOM 1014 CG1 VAL A 71 0.452 -1.976 -6.464 1.00 0.00 C ATOM 1015 CG2 VAL A 71 2.311 -0.967 -5.333 1.00 0.00 C ATOM 0 H VAL A 71 4.381 -3.006 -5.844 1.00 0.00 H new ATOM 0 HA VAL A 71 1.820 -3.652 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 71 2.476 -2.294 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.312 -0.990 -6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.112 -2.740 -7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.126 -2.044 -5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.965 -0.067 -5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.844 -1.031 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.394 -0.925 -5.218 1.00 0.00 H new ATOM 1025 N THR A 72 0.971 -5.313 -6.346 1.00 0.00 N ATOM 1026 CA THR A 72 0.417 -6.338 -7.208 1.00 0.00 C ATOM 1027 C THR A 72 -1.088 -6.234 -7.363 1.00 0.00 C ATOM 1028 O THR A 72 -1.814 -6.175 -6.365 1.00 0.00 O ATOM 1029 CB THR A 72 0.802 -7.742 -6.783 1.00 0.00 C ATOM 1030 OG1 THR A 72 2.190 -7.900 -6.896 1.00 0.00 O ATOM 1031 CG2 THR A 72 0.018 -8.849 -7.505 1.00 0.00 C ATOM 0 H THR A 72 0.382 -5.152 -5.529 1.00 0.00 H new ATOM 0 HA THR A 72 0.866 -6.149 -8.183 1.00 0.00 H new ATOM 0 HB THR A 72 0.517 -7.859 -5.737 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.440 -8.807 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.350 -9.823 -7.147 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.047 -8.732 -7.303 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.193 -8.778 -8.578 1.00 0.00 H new ATOM 1039 N ASP A 73 -1.627 -6.400 -8.569 1.00 0.00 N ATOM 1040 CA ASP A 73 -3.044 -6.388 -8.882 1.00 0.00 C ATOM 1041 C ASP A 73 -3.694 -7.662 -8.382 1.00 0.00 C ATOM 1042 O ASP A 73 -3.201 -8.739 -8.728 1.00 0.00 O ATOM 1043 CB ASP A 73 -3.154 -6.119 -10.378 1.00 0.00 C ATOM 1044 CG ASP A 73 -4.573 -6.103 -10.949 1.00 0.00 C ATOM 1045 OD1 ASP A 73 -5.504 -6.634 -10.303 1.00 0.00 O ATOM 1046 OD2 ASP A 73 -4.692 -5.675 -12.111 1.00 0.00 O1- ATOM 0 H ASP A 73 -1.050 -6.555 -9.396 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.600 -5.601 -8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.686 -5.158 -10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.578 -6.878 -10.908 1.00 0.00 H new ATOM 1051 N ASN A 74 -4.782 -7.517 -7.631 1.00 0.00 N ATOM 1052 CA ASN A 74 -5.523 -8.697 -7.205 1.00 0.00 C ATOM 1053 C ASN A 74 -6.626 -9.144 -8.145 1.00 0.00 C ATOM 1054 O ASN A 74 -7.153 -10.212 -7.874 1.00 0.00 O ATOM 1055 CB ASN A 74 -5.999 -8.456 -5.774 1.00 0.00 C ATOM 1056 CG ASN A 74 -5.115 -8.079 -4.594 1.00 0.00 C ATOM 1057 OD1 ASN A 74 -4.015 -8.613 -4.458 1.00 0.00 O ATOM 1058 ND2 ASN A 74 -5.593 -7.337 -3.586 1.00 0.00 N ATOM 0 H ASN A 74 -5.160 -6.624 -7.314 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.849 -9.553 -7.237 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.752 -7.671 -5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.515 -9.369 -5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.047 -7.226 -2.731 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.502 -6.883 -3.673 1.00 0.00 H new ATOM 1065 N ASN A 75 -6.942 -8.506 -9.280 1.00 0.00 N ATOM 1066 CA ASN A 75 -7.796 -9.013 -10.326 1.00 0.00 C ATOM 1067 C ASN A 75 -9.259 -9.061 -9.883 1.00 0.00 C ATOM 1068 O ASN A 75 -10.051 -9.847 -10.366 1.00 0.00 O ATOM 1069 CB ASN A 75 -7.293 -10.314 -10.970 1.00 0.00 C ATOM 1070 CG ASN A 75 -5.778 -10.390 -11.080 1.00 0.00 C ATOM 1071 OD1 ASN A 75 -5.240 -11.387 -10.608 1.00 0.00 O ATOM 1072 ND2 ASN A 75 -5.050 -9.547 -11.825 1.00 0.00 N ATOM 0 H ASN A 75 -6.582 -7.575 -9.490 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.745 -8.292 -11.142 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.650 -11.161 -10.385 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.727 -10.409 -11.965 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.062 -9.738 -11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.484 -8.714 -12.224 1.00 0.00 H new ATOM 1079 N ASP A 76 -9.644 -8.231 -8.908 1.00 0.00 N ATOM 1080 CA ASP A 76 -10.948 -8.036 -8.295 1.00 0.00 C ATOM 1081 C ASP A 76 -11.462 -6.657 -7.949 1.00 0.00 C ATOM 1082 O ASP A 76 -12.647 -6.512 -7.667 1.00 0.00 O ATOM 1083 CB ASP A 76 -11.033 -8.904 -7.041 1.00 0.00 C ATOM 1084 CG ASP A 76 -10.129 -8.553 -5.873 1.00 0.00 C ATOM 1085 OD1 ASP A 76 -9.648 -7.413 -5.786 1.00 0.00 O ATOM 1086 OD2 ASP A 76 -10.128 -9.376 -4.930 1.00 0.00 O1- ATOM 0 H ASP A 76 -8.959 -7.607 -8.483 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.606 -8.311 -9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.063 -8.879 -6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.821 -9.933 -7.331 1.00 0.00 H new ATOM 1091 N GLY A 77 -10.661 -5.598 -8.072 1.00 0.00 N ATOM 1092 CA GLY A 77 -11.012 -4.234 -7.720 1.00 0.00 C ATOM 1093 C GLY A 77 -9.961 -3.555 -6.856 1.00 0.00 C ATOM 1094 O GLY A 77 -9.976 -2.341 -6.594 1.00 0.00 O ATOM 0 H GLY A 77 -9.711 -5.678 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.155 -3.654 -8.632 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.965 -4.235 -7.190 1.00 0.00 H new ATOM 1098 N THR A 78 -9.038 -4.360 -6.328 1.00 0.00 N ATOM 1099 CA THR A 78 -8.030 -4.026 -5.329 1.00 0.00 C ATOM 1100 C THR A 78 -6.625 -4.419 -5.735 1.00 0.00 C ATOM 1101 O THR A 78 -6.463 -5.262 -6.630 1.00 0.00 O ATOM 1102 CB THR A 78 -8.397 -4.711 -4.020 1.00 0.00 C ATOM 1103 OG1 THR A 78 -8.126 -6.089 -4.157 1.00 0.00 O ATOM 1104 CG2 THR A 78 -9.813 -4.643 -3.442 1.00 0.00 C ATOM 0 H THR A 78 -8.974 -5.338 -6.612 1.00 0.00 H new ATOM 0 HA THR A 78 -8.025 -2.941 -5.221 1.00 0.00 H new ATOM 0 HB THR A 78 -7.801 -4.127 -3.318 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.788 -6.495 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.851 -5.199 -2.506 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.081 -3.603 -3.257 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.517 -5.078 -4.151 1.00 0.00 H new ATOM 1112 N TYR A 79 -5.653 -3.860 -5.021 1.00 0.00 N ATOM 1113 CA TYR A 79 -4.257 -4.233 -5.221 1.00 0.00 C ATOM 1114 C TYR A 79 -3.671 -4.584 -3.854 1.00 0.00 C ATOM 1115 O TYR A 79 -4.012 -3.931 -2.872 1.00 0.00 O ATOM 1116 CB TYR A 79 -3.549 -3.063 -5.897 1.00 0.00 C ATOM 1117 CG TYR A 79 -3.992 -2.686 -7.294 1.00 0.00 C ATOM 1118 CD1 TYR A 79 -3.093 -2.885 -8.352 1.00 0.00 C ATOM 1119 CD2 TYR A 79 -5.200 -2.034 -7.562 1.00 0.00 C ATOM 1120 CE1 TYR A 79 -3.361 -2.417 -9.645 1.00 0.00 C ATOM 1121 CE2 TYR A 79 -5.575 -1.754 -8.884 1.00 0.00 C ATOM 1122 CZ TYR A 79 -4.615 -1.814 -9.908 1.00 0.00 C ATOM 1123 OH TYR A 79 -4.912 -1.374 -11.161 1.00 0.00 O ATOM 0 H TYR A 79 -5.805 -3.151 -4.303 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.137 -5.103 -5.867 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.666 -2.186 -5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.484 -3.291 -5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.170 -3.413 -8.165 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.847 -1.745 -6.747 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.624 -2.514 -10.428 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.598 -1.493 -9.114 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.813 -0.988 -11.167 1.00 0.00 H new ATOM 1133 N GLY A 80 -2.731 -5.527 -3.876 1.00 0.00 N ATOM 1134 CA GLY A 80 -1.890 -5.992 -2.796 1.00 0.00 C ATOM 1135 C GLY A 80 -0.553 -5.265 -2.788 1.00 0.00 C ATOM 1136 O GLY A 80 0.115 -5.077 -3.811 1.00 0.00 O ATOM 0 H GLY A 80 -2.526 -6.028 -4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.397 -5.837 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.723 -7.064 -2.897 1.00 0.00 H new ATOM 1140 N VAL A 81 -0.179 -4.800 -1.588 1.00 0.00 N ATOM 1141 CA VAL A 81 1.059 -4.110 -1.367 1.00 0.00 C ATOM 1142 C VAL A 81 1.872 -4.697 -0.221 1.00 0.00 C ATOM 1143 O VAL A 81 1.267 -5.007 0.799 1.00 0.00 O ATOM 1144 CB VAL A 81 0.712 -2.660 -1.054 1.00 0.00 C ATOM 1145 CG1 VAL A 81 1.930 -1.735 -0.974 1.00 0.00 C ATOM 1146 CG2 VAL A 81 -0.244 -1.912 -1.983 1.00 0.00 C ATOM 0 H VAL A 81 -0.747 -4.903 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 81 1.677 -4.205 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 81 0.214 -2.837 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.602 -0.720 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.600 -2.083 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.456 -1.742 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.384 -0.894 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.175 -1.882 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.205 -2.425 -2.005 1.00 0.00 H new ATOM 1156 N VAL A 82 3.194 -4.810 -0.388 1.00 0.00 N ATOM 1157 CA VAL A 82 4.046 -5.581 0.500 1.00 0.00 C ATOM 1158 C VAL A 82 5.399 -4.915 0.744 1.00 0.00 C ATOM 1159 O VAL A 82 6.003 -4.361 -0.170 1.00 0.00 O ATOM 1160 CB VAL A 82 4.398 -6.932 -0.098 1.00 0.00 C ATOM 1161 CG1 VAL A 82 4.982 -7.904 0.944 1.00 0.00 C ATOM 1162 CG2 VAL A 82 3.202 -7.659 -0.709 1.00 0.00 C ATOM 0 H VAL A 82 3.699 -4.362 -1.152 1.00 0.00 H new ATOM 0 HA VAL A 82 3.468 -5.665 1.420 1.00 0.00 H new ATOM 0 HB VAL A 82 5.128 -6.682 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.216 -8.854 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.891 -7.478 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.253 -8.068 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.527 -8.616 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.448 -7.830 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.775 -7.051 -1.507 1.00 0.00 H new ATOM 1172 N TYR A 83 5.761 -4.826 2.024 1.00 0.00 N ATOM 1173 CA TYR A 83 6.954 -4.125 2.485 1.00 0.00 C ATOM 1174 C TYR A 83 7.361 -4.560 3.880 1.00 0.00 C ATOM 1175 O TYR A 83 6.570 -4.917 4.756 1.00 0.00 O ATOM 1176 CB TYR A 83 6.891 -2.615 2.329 1.00 0.00 C ATOM 1177 CG TYR A 83 6.004 -1.755 3.200 1.00 0.00 C ATOM 1178 CD1 TYR A 83 4.674 -2.109 3.457 1.00 0.00 C ATOM 1179 CD2 TYR A 83 6.433 -0.469 3.587 1.00 0.00 C ATOM 1180 CE1 TYR A 83 3.825 -1.292 4.198 1.00 0.00 C ATOM 1181 CE2 TYR A 83 5.633 0.373 4.358 1.00 0.00 C ATOM 1182 CZ TYR A 83 4.335 -0.054 4.678 1.00 0.00 C ATOM 1183 OH TYR A 83 3.474 0.748 5.357 1.00 0.00 O ATOM 0 H TYR A 83 5.222 -5.247 2.781 1.00 0.00 H new ATOM 0 HA TYR A 83 7.752 -4.431 1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.908 -2.244 2.453 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.604 -2.418 1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.296 -3.043 3.069 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.409 -0.126 3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 83 2.807 -1.590 4.403 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.002 1.329 4.700 1.00 0.00 H new ATOM 0 HH TYR A 83 2.716 0.216 5.679 1.00 0.00 H new ATOM 1193 N ASP A 84 8.671 -4.743 4.096 1.00 0.00 N ATOM 1194 CA ASP A 84 9.360 -5.064 5.329 1.00 0.00 C ATOM 1195 C ASP A 84 10.192 -3.910 5.856 1.00 0.00 C ATOM 1196 O ASP A 84 10.497 -2.946 5.148 1.00 0.00 O ATOM 1197 CB ASP A 84 10.019 -6.423 5.129 1.00 0.00 C ATOM 1198 CG ASP A 84 11.097 -6.458 4.054 1.00 0.00 C ATOM 1199 OD1 ASP A 84 11.415 -5.445 3.384 1.00 0.00 O ATOM 1200 OD2 ASP A 84 11.746 -7.492 3.741 1.00 0.00 O1- ATOM 0 H ASP A 84 9.332 -4.658 3.324 1.00 0.00 H new ATOM 0 HA ASP A 84 8.686 -5.184 6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.458 -6.741 6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.248 -7.151 4.875 1.00 0.00 H new ATOM 1205 N ALA A 85 10.517 -3.991 7.148 1.00 0.00 N ATOM 1206 CA ALA A 85 11.082 -2.939 7.959 1.00 0.00 C ATOM 1207 C ALA A 85 12.301 -3.461 8.701 1.00 0.00 C ATOM 1208 O ALA A 85 12.128 -4.260 9.622 1.00 0.00 O ATOM 1209 CB ALA A 85 10.039 -2.485 8.975 1.00 0.00 C ATOM 0 H ALA A 85 10.379 -4.852 7.678 1.00 0.00 H new ATOM 0 HA ALA A 85 11.376 -2.105 7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.455 -1.690 9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.158 -2.114 8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.757 -3.327 9.608 1.00 0.00 H new ATOM 1215 N PRO A 86 13.505 -3.015 8.334 1.00 0.00 N ATOM 1216 CA PRO A 86 14.719 -3.468 8.974 1.00 0.00 C ATOM 1217 C PRO A 86 14.915 -2.973 10.401 1.00 0.00 C ATOM 1218 O PRO A 86 15.924 -3.295 11.027 1.00 0.00 O ATOM 1219 CB PRO A 86 15.874 -3.039 8.073 1.00 0.00 C ATOM 1220 CG PRO A 86 15.282 -1.968 7.153 1.00 0.00 C ATOM 1221 CD PRO A 86 13.757 -2.076 7.259 1.00 0.00 C ATOM 0 HA PRO A 86 14.666 -4.551 9.087 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.704 -2.642 8.657 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.261 -3.881 7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.619 -0.975 7.451 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.608 -2.121 6.124 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.310 -1.106 7.474 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.323 -2.427 6.323 1.00 0.00 H new ATOM 1229 N VAL A 87 14.089 -2.083 10.954 1.00 0.00 N ATOM 1230 CA VAL A 87 14.462 -1.135 11.999 1.00 0.00 C ATOM 1231 C VAL A 87 13.336 -0.759 12.948 1.00 0.00 C ATOM 1232 O VAL A 87 12.197 -0.588 12.500 1.00 0.00 O ATOM 1233 CB VAL A 87 15.145 0.109 11.444 1.00 0.00 C ATOM 1234 CG1 VAL A 87 16.510 -0.113 10.805 1.00 0.00 C ATOM 1235 CG2 VAL A 87 14.236 0.667 10.346 1.00 0.00 C ATOM 0 H VAL A 87 13.111 -2.002 10.676 1.00 0.00 H new ATOM 0 HA VAL A 87 15.187 -1.683 12.602 1.00 0.00 H new ATOM 0 HB VAL A 87 15.306 0.769 12.297 1.00 0.00 H new ATOM 0 HG11 VAL A 87 16.902 0.838 10.445 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.194 -0.531 11.544 1.00 0.00 H new ATOM 0 HG13 VAL A 87 16.412 -0.805 9.968 1.00 0.00 H new ATOM 0 HG21 VAL A 87 14.688 1.562 9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 87 14.107 -0.082 9.565 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.264 0.919 10.771 1.00 0.00 H new ATOM 1245 N GLU A 88 13.673 -0.500 14.209 1.00 0.00 N ATOM 1246 CA GLU A 88 12.789 0.127 15.174 1.00 0.00 C ATOM 1247 C GLU A 88 12.453 1.532 14.693 1.00 0.00 C ATOM 1248 O GLU A 88 13.217 2.500 14.828 1.00 0.00 O ATOM 1249 CB GLU A 88 13.387 0.060 16.566 1.00 0.00 C ATOM 1250 CG GLU A 88 12.411 0.393 17.682 1.00 0.00 C ATOM 1251 CD GLU A 88 13.285 0.457 18.930 1.00 0.00 C ATOM 1252 OE1 GLU A 88 13.440 1.543 19.534 1.00 0.00 O ATOM 1253 OE2 GLU A 88 13.882 -0.540 19.400 1.00 0.00 O1- ATOM 0 H GLU A 88 14.591 -0.728 14.592 1.00 0.00 H new ATOM 0 HA GLU A 88 11.844 -0.412 15.250 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.782 -0.942 16.731 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.231 0.748 16.620 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.905 1.341 17.500 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.637 -0.369 17.776 1.00 0.00 H new ATOM 1260 N GLY A 89 11.262 1.789 14.133 1.00 0.00 N ATOM 1261 CA GLY A 89 10.921 3.117 13.714 1.00 0.00 C ATOM 1262 C GLY A 89 9.564 3.471 13.115 1.00 0.00 C ATOM 1263 O GLY A 89 8.559 2.882 13.502 1.00 0.00 O ATOM 0 H GLY A 89 10.539 1.089 13.969 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.054 3.761 14.584 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.671 3.413 12.981 1.00 0.00 H new ATOM 1267 N ASN A 90 9.539 4.272 12.047 1.00 0.00 N ATOM 1268 CA ASN A 90 8.416 4.773 11.280 1.00 0.00 C ATOM 1269 C ASN A 90 8.663 4.591 9.791 1.00 0.00 C ATOM 1270 O ASN A 90 9.803 4.747 9.369 1.00 0.00 O ATOM 1271 CB ASN A 90 8.248 6.268 11.530 1.00 0.00 C ATOM 1272 CG ASN A 90 6.950 6.815 10.941 1.00 0.00 C ATOM 1273 OD1 ASN A 90 5.864 6.567 11.458 1.00 0.00 O ATOM 1274 ND2 ASN A 90 6.962 7.612 9.873 1.00 0.00 N ATOM 0 H ASN A 90 10.416 4.621 11.660 1.00 0.00 H new ATOM 0 HA ASN A 90 7.528 4.220 11.587 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.265 6.458 12.603 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.094 6.803 11.098 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.088 7.994 9.512 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.845 7.840 9.417 1.00 0.00 H new ATOM 1281 N TYR A 91 7.641 4.148 9.059 1.00 0.00 N ATOM 1282 CA TYR A 91 7.493 4.472 7.658 1.00 0.00 C ATOM 1283 C TYR A 91 6.377 5.486 7.400 1.00 0.00 C ATOM 1284 O TYR A 91 5.289 5.406 7.953 1.00 0.00 O ATOM 1285 CB TYR A 91 7.317 3.225 6.784 1.00 0.00 C ATOM 1286 CG TYR A 91 8.428 2.296 6.387 1.00 0.00 C ATOM 1287 CD1 TYR A 91 9.641 2.786 5.895 1.00 0.00 C ATOM 1288 CD2 TYR A 91 8.165 0.912 6.449 1.00 0.00 C ATOM 1289 CE1 TYR A 91 10.687 1.881 5.655 1.00 0.00 C ATOM 1290 CE2 TYR A 91 9.182 0.016 6.086 1.00 0.00 C ATOM 1291 CZ TYR A 91 10.441 0.495 5.683 1.00 0.00 C ATOM 1292 OH TYR A 91 11.407 -0.432 5.421 1.00 0.00 O ATOM 0 H TYR A 91 6.898 3.555 9.429 1.00 0.00 H new ATOM 0 HA TYR A 91 8.431 4.946 7.367 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.573 2.607 7.287 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.867 3.571 5.853 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.771 3.841 5.703 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.200 0.549 6.770 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.681 2.248 5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.997 -1.048 6.116 1.00 0.00 H new ATOM 0 HH TYR A 91 10.987 -1.292 5.212 1.00 0.00 H new ATOM 1302 N ASN A 92 6.629 6.202 6.303 1.00 0.00 N ATOM 1303 CA ASN A 92 5.801 7.260 5.750 1.00 0.00 C ATOM 1304 C ASN A 92 5.330 6.943 4.328 1.00 0.00 C ATOM 1305 O ASN A 92 6.140 6.797 3.419 1.00 0.00 O ATOM 1306 CB ASN A 92 6.563 8.563 5.675 1.00 0.00 C ATOM 1307 CG ASN A 92 5.754 9.847 5.545 1.00 0.00 C ATOM 1308 OD1 ASN A 92 5.892 10.604 4.588 1.00 0.00 O ATOM 1309 ND2 ASN A 92 5.027 10.258 6.589 1.00 0.00 N ATOM 0 H ASN A 92 7.470 6.044 5.747 1.00 0.00 H new ATOM 0 HA ASN A 92 4.944 7.342 6.418 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.179 8.644 6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.242 8.506 4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.600 11.184 6.580 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.899 9.645 7.394 1.00 0.00 H new ATOM 1316 N VAL A 93 4.010 6.813 4.177 1.00 0.00 N ATOM 1317 CA VAL A 93 3.453 6.162 3.020 1.00 0.00 C ATOM 1318 C VAL A 93 2.680 7.062 2.072 1.00 0.00 C ATOM 1319 O VAL A 93 1.736 7.769 2.426 1.00 0.00 O ATOM 1320 CB VAL A 93 2.587 4.942 3.325 1.00 0.00 C ATOM 1321 CG1 VAL A 93 2.349 4.031 2.125 1.00 0.00 C ATOM 1322 CG2 VAL A 93 3.294 4.195 4.454 1.00 0.00 C ATOM 0 H VAL A 93 3.320 7.153 4.847 1.00 0.00 H new ATOM 0 HA VAL A 93 4.365 5.837 2.519 1.00 0.00 H new ATOM 0 HB VAL A 93 1.587 5.271 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.726 3.189 2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.846 4.591 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.305 3.661 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.720 3.307 4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.290 3.898 4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.377 4.846 5.324 1.00 0.00 H new ATOM 1332 N ASN A 94 3.049 7.053 0.787 1.00 0.00 N ATOM 1333 CA ASN A 94 2.624 7.987 -0.223 1.00 0.00 C ATOM 1334 C ASN A 94 2.281 7.252 -1.512 1.00 0.00 C ATOM 1335 O ASN A 94 3.136 6.474 -1.918 1.00 0.00 O ATOM 1336 CB ASN A 94 3.724 8.990 -0.518 1.00 0.00 C ATOM 1337 CG ASN A 94 3.387 10.072 -1.548 1.00 0.00 C ATOM 1338 OD1 ASN A 94 2.368 10.743 -1.464 1.00 0.00 O ATOM 1339 ND2 ASN A 94 4.169 10.172 -2.629 1.00 0.00 N ATOM 0 H ASN A 94 3.688 6.349 0.418 1.00 0.00 H new ATOM 0 HA ASN A 94 1.744 8.508 0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.002 9.479 0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.601 8.445 -0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.916 10.809 -3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.019 9.612 -2.697 1.00 0.00 H new ATOM 1346 N VAL A 95 1.045 7.311 -2.019 1.00 0.00 N ATOM 1347 CA VAL A 95 0.633 6.532 -3.184 1.00 0.00 C ATOM 1348 C VAL A 95 0.204 7.494 -4.286 1.00 0.00 C ATOM 1349 O VAL A 95 -0.373 8.518 -3.959 1.00 0.00 O ATOM 1350 CB VAL A 95 -0.504 5.596 -2.807 1.00 0.00 C ATOM 1351 CG1 VAL A 95 -1.078 4.702 -3.907 1.00 0.00 C ATOM 1352 CG2 VAL A 95 -0.307 4.707 -1.587 1.00 0.00 C ATOM 0 H VAL A 95 0.307 7.899 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 95 1.463 5.923 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.219 6.384 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.880 4.089 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.472 5.323 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.292 4.056 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.195 4.094 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.557 4.062 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.142 5.328 -0.707 1.00 0.00 H new ATOM 1362 N THR A 96 0.491 7.133 -5.542 1.00 0.00 N ATOM 1363 CA THR A 96 0.241 7.889 -6.741 1.00 0.00 C ATOM 1364 C THR A 96 -0.350 6.992 -7.830 1.00 0.00 C ATOM 1365 O THR A 96 0.014 5.843 -7.967 1.00 0.00 O ATOM 1366 CB THR A 96 1.522 8.493 -7.333 1.00 0.00 C ATOM 1367 OG1 THR A 96 2.521 7.532 -7.498 1.00 0.00 O ATOM 1368 CG2 THR A 96 2.121 9.645 -6.545 1.00 0.00 C ATOM 0 H THR A 96 0.936 6.238 -5.745 1.00 0.00 H new ATOM 0 HA THR A 96 -0.446 8.683 -6.449 1.00 0.00 H new ATOM 0 HB THR A 96 1.186 8.887 -8.292 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.320 7.953 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.021 10.000 -7.047 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.397 10.457 -6.481 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.375 9.306 -5.541 1.00 0.00 H new ATOM 1376 N LEU A 97 -1.109 7.654 -8.704 1.00 0.00 N ATOM 1377 CA LEU A 97 -2.088 7.070 -9.591 1.00 0.00 C ATOM 1378 C LEU A 97 -1.862 7.451 -11.046 1.00 0.00 C ATOM 1379 O LEU A 97 -2.278 8.579 -11.312 1.00 0.00 O ATOM 1380 CB LEU A 97 -3.559 7.372 -9.308 1.00 0.00 C ATOM 1381 CG LEU A 97 -4.211 6.778 -8.058 1.00 0.00 C ATOM 1382 CD1 LEU A 97 -3.465 6.761 -6.721 1.00 0.00 C ATOM 1383 CD2 LEU A 97 -5.503 7.533 -7.748 1.00 0.00 C ATOM 0 H LEU A 97 -1.046 8.667 -8.810 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.919 6.011 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.668 8.455 -9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.135 7.037 -10.170 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.292 5.736 -8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.094 6.300 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.543 6.189 -6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.226 7.782 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.967 7.109 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.277 8.585 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.188 7.444 -8.591 1.00 0.00 H new ATOM 1395 N ARG A 98 -1.125 6.703 -11.849 1.00 0.00 N ATOM 1396 CA ARG A 98 -0.519 7.195 -13.070 1.00 0.00 C ATOM 1397 C ARG A 98 0.363 8.411 -12.773 1.00 0.00 C ATOM 1398 O ARG A 98 0.442 9.408 -13.484 1.00 0.00 O ATOM 1399 CB ARG A 98 -1.575 7.469 -14.124 1.00 0.00 C ATOM 1400 CG ARG A 98 -1.187 7.604 -15.597 1.00 0.00 C ATOM 1401 CD ARG A 98 -2.309 7.913 -16.587 1.00 0.00 C ATOM 1402 NE ARG A 98 -3.413 6.956 -16.571 1.00 0.00 N ATOM 1403 CZ ARG A 98 -4.563 7.039 -17.261 1.00 0.00 C ATOM 1404 NH1 ARG A 98 -4.850 8.120 -17.994 1.00 0.00 N1+ ATOM 1405 NH2 ARG A 98 -5.509 6.096 -17.120 1.00 0.00 N ATOM 0 H ARG A 98 -0.929 5.719 -11.666 1.00 0.00 H new ATOM 0 HA ARG A 98 0.133 6.426 -13.484 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.311 6.668 -14.058 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.082 8.391 -13.839 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.438 8.391 -15.679 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.708 6.675 -15.907 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.703 8.906 -16.372 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.890 7.948 -17.593 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.299 6.138 -15.972 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.191 8.898 -18.035 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -5.728 8.167 -18.512 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.356 5.311 -16.486 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.380 6.165 -17.647 1.00 0.00 H new ATOM 1419 N GLY A 99 1.025 8.418 -11.619 1.00 0.00 N ATOM 1420 CA GLY A 99 1.850 9.518 -11.181 1.00 0.00 C ATOM 1421 C GLY A 99 1.149 10.778 -10.660 1.00 0.00 C ATOM 1422 O GLY A 99 1.758 11.654 -10.053 1.00 0.00 O ATOM 0 H GLY A 99 0.997 7.642 -10.958 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.506 9.150 -10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.487 9.811 -12.015 1.00 0.00 H new ATOM 1426 N ASN A 100 -0.182 10.741 -10.639 1.00 0.00 N ATOM 1427 CA ASN A 100 -0.963 11.748 -9.951 1.00 0.00 C ATOM 1428 C ASN A 100 -0.995 11.515 -8.439 1.00 0.00 C ATOM 1429 O ASN A 100 -1.257 10.383 -8.014 1.00 0.00 O ATOM 1430 CB ASN A 100 -2.398 11.827 -10.465 1.00 0.00 C ATOM 1431 CG ASN A 100 -2.388 12.085 -11.965 1.00 0.00 C ATOM 1432 OD1 ASN A 100 -1.957 13.155 -12.410 1.00 0.00 O ATOM 1433 ND2 ASN A 100 -2.755 11.084 -12.767 1.00 0.00 N ATOM 0 H ASN A 100 -0.738 10.018 -11.095 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.462 12.693 -10.160 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -2.924 10.897 -10.249 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.936 12.624 -9.952 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -2.684 11.189 -13.779 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -3.107 10.214 -12.368 1.00 0.00 H new ATOM 1440 N PRO A 101 -0.797 12.502 -7.567 1.00 0.00 N ATOM 1441 CA PRO A 101 -0.766 12.317 -6.130 1.00 0.00 C ATOM 1442 C PRO A 101 -2.208 12.446 -5.688 1.00 0.00 C ATOM 1443 O PRO A 101 -3.099 12.917 -6.398 1.00 0.00 O ATOM 1444 CB PRO A 101 0.225 13.332 -5.570 1.00 0.00 C ATOM 1445 CG PRO A 101 0.134 14.456 -6.610 1.00 0.00 C ATOM 1446 CD PRO A 101 -0.296 13.810 -7.929 1.00 0.00 C ATOM 0 HA PRO A 101 -0.410 11.353 -5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -0.056 13.672 -4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.233 12.923 -5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.586 15.213 -6.298 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.095 14.957 -6.721 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.065 14.402 -8.425 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.543 13.732 -8.621 1.00 0.00 H new ATOM 1454 N ILE A 102 -2.413 12.275 -4.375 1.00 0.00 N ATOM 1455 CA ILE A 102 -3.746 12.207 -3.825 1.00 0.00 C ATOM 1456 C ILE A 102 -3.809 12.667 -2.366 1.00 0.00 C ATOM 1457 O ILE A 102 -2.787 13.021 -1.764 1.00 0.00 O ATOM 1458 CB ILE A 102 -4.346 10.814 -3.906 1.00 0.00 C ATOM 1459 CG1 ILE A 102 -3.573 9.837 -3.027 1.00 0.00 C ATOM 1460 CG2 ILE A 102 -4.424 10.256 -5.324 1.00 0.00 C ATOM 1461 CD1 ILE A 102 -3.995 8.365 -3.043 1.00 0.00 C ATOM 0 H ILE A 102 -1.666 12.183 -3.687 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.329 12.888 -4.445 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.369 10.921 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.523 9.886 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.637 10.191 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.863 9.259 -5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.043 10.910 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -3.422 10.200 -5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.354 7.795 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.031 8.280 -2.716 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.900 7.970 -4.055 1.00 0.00 H new ATOM 1473 N LYS A 103 -4.991 12.708 -1.745 1.00 0.00 N ATOM 1474 CA LYS A 103 -5.314 13.317 -0.479 1.00 0.00 C ATOM 1475 C LYS A 103 -5.113 12.485 0.787 1.00 0.00 C ATOM 1476 O LYS A 103 -4.979 11.272 0.604 1.00 0.00 O ATOM 1477 CB LYS A 103 -6.774 13.742 -0.616 1.00 0.00 C ATOM 1478 CG LYS A 103 -7.783 12.638 -0.907 1.00 0.00 C ATOM 1479 CD LYS A 103 -9.209 13.174 -0.969 1.00 0.00 C ATOM 1480 CE LYS A 103 -9.660 13.850 0.328 1.00 0.00 C ATOM 1481 NZ LYS A 103 -11.098 13.680 0.591 1.00 0.00 N1+ ATOM 0 H LYS A 103 -5.812 12.272 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.606 14.129 -0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.071 14.240 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.840 14.482 -1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.534 12.159 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.716 11.872 -0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.286 13.889 -1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.888 12.353 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.092 13.439 1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.428 14.914 0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.536 14.611 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.547 13.211 -0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -11.229 13.097 1.442 1.00 0.00 H new ATOM 1495 N ASN A 104 -5.216 13.022 1.998 1.00 0.00 N ATOM 1496 CA ASN A 104 -5.018 12.410 3.300 1.00 0.00 C ATOM 1497 C ASN A 104 -3.679 11.710 3.453 1.00 0.00 C ATOM 1498 O ASN A 104 -3.565 10.575 3.905 1.00 0.00 O ATOM 1499 CB ASN A 104 -6.206 11.482 3.519 1.00 0.00 C ATOM 1500 CG ASN A 104 -7.552 12.172 3.370 1.00 0.00 C ATOM 1501 OD1 ASN A 104 -8.560 11.587 2.960 1.00 0.00 O ATOM 1502 ND2 ASN A 104 -7.696 13.480 3.593 1.00 0.00 N ATOM 0 H ASN A 104 -5.468 14.005 2.098 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.977 13.178 4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.149 10.658 2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.138 11.048 4.516 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.596 13.930 3.424 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.907 14.029 3.933 1.00 0.00 H new ATOM 1509 N MET A 105 -2.620 12.209 2.811 1.00 0.00 N ATOM 1510 CA MET A 105 -1.377 11.554 2.436 1.00 0.00 C ATOM 1511 C MET A 105 -0.203 12.514 2.495 1.00 0.00 C ATOM 1512 O MET A 105 -0.415 13.693 2.152 1.00 0.00 O ATOM 1513 CB MET A 105 -1.439 10.934 1.044 1.00 0.00 C ATOM 1514 CG MET A 105 -0.397 9.816 0.912 1.00 0.00 C ATOM 1515 SD MET A 105 -0.959 8.412 -0.062 1.00 0.00 S ATOM 1516 CE MET A 105 -1.577 7.283 1.204 1.00 0.00 C ATOM 0 H MET A 105 -2.618 13.184 2.513 1.00 0.00 H new ATOM 0 HA MET A 105 -1.233 10.755 3.163 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.436 10.534 0.861 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.259 11.699 0.289 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.505 10.225 0.457 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.122 9.469 1.908 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.953 6.376 0.731 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.769 7.027 1.889 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.383 7.764 1.758 1.00 0.00 H new ATOM 1526 N PRO A 106 1.035 12.184 2.851 1.00 0.00 N ATOM 1527 CA PRO A 106 1.478 10.973 3.499 1.00 0.00 C ATOM 1528 C PRO A 106 0.782 10.611 4.798 1.00 0.00 C ATOM 1529 O PRO A 106 0.293 11.455 5.553 1.00 0.00 O ATOM 1530 CB PRO A 106 2.997 11.012 3.573 1.00 0.00 C ATOM 1531 CG PRO A 106 3.379 12.449 3.238 1.00 0.00 C ATOM 1532 CD PRO A 106 2.175 12.998 2.473 1.00 0.00 C ATOM 0 HA PRO A 106 1.164 10.129 2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.350 10.732 4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 106 3.443 10.312 2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.573 13.028 4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.285 12.488 2.633 1.00 0.00 H new ATOM 0 HD2 PRO A 106 2.003 14.045 2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.345 12.950 1.397 1.00 0.00 H new ATOM 1540 N ILE A 107 0.877 9.321 5.144 1.00 0.00 N ATOM 1541 CA ILE A 107 0.428 8.633 6.340 1.00 0.00 C ATOM 1542 C ILE A 107 1.582 7.856 6.960 1.00 0.00 C ATOM 1543 O ILE A 107 2.579 7.586 6.288 1.00 0.00 O ATOM 1544 CB ILE A 107 -0.834 7.799 6.182 1.00 0.00 C ATOM 1545 CG1 ILE A 107 -0.554 6.691 5.169 1.00 0.00 C ATOM 1546 CG2 ILE A 107 -1.944 8.698 5.640 1.00 0.00 C ATOM 1547 CD1 ILE A 107 -1.724 5.820 4.719 1.00 0.00 C ATOM 0 H ILE A 107 1.327 8.664 4.507 1.00 0.00 H new ATOM 0 HA ILE A 107 0.112 9.412 7.034 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.134 7.369 7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.120 7.152 4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.207 6.036 5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.858 8.116 5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.124 9.516 6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.644 9.105 4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.371 5.080 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -2.153 5.312 5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.484 6.445 4.251 1.00 0.00 H new ATOM 1559 N ASP A 108 1.491 7.543 8.251 1.00 0.00 N ATOM 1560 CA ASP A 108 2.520 6.875 9.018 1.00 0.00 C ATOM 1561 C ASP A 108 2.202 5.500 9.536 1.00 0.00 C ATOM 1562 O ASP A 108 1.050 5.200 9.848 1.00 0.00 O ATOM 1563 CB ASP A 108 3.102 7.771 10.111 1.00 0.00 C ATOM 1564 CG ASP A 108 3.523 9.131 9.599 1.00 0.00 C ATOM 1565 OD1 ASP A 108 4.679 9.224 9.122 1.00 0.00 O ATOM 1566 OD2 ASP A 108 2.821 10.115 9.922 1.00 0.00 O1- ATOM 0 H ASP A 108 0.663 7.760 8.806 1.00 0.00 H new ATOM 0 HA ASP A 108 3.288 6.686 8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.361 7.899 10.900 1.00 0.00 H new ATOM 0 HB3 ASP A 108 3.963 7.275 10.559 1.00 0.00 H new ATOM 1571 N VAL A 109 3.233 4.651 9.540 1.00 0.00 N ATOM 1572 CA VAL A 109 3.148 3.240 9.881 1.00 0.00 C ATOM 1573 C VAL A 109 4.349 2.826 10.728 1.00 0.00 C ATOM 1574 O VAL A 109 5.470 3.045 10.259 1.00 0.00 O ATOM 1575 CB VAL A 109 2.951 2.489 8.573 1.00 0.00 C ATOM 1576 CG1 VAL A 109 2.859 1.003 8.952 1.00 0.00 C ATOM 1577 CG2 VAL A 109 1.666 2.761 7.789 1.00 0.00 C ATOM 0 H VAL A 109 4.179 4.943 9.297 1.00 0.00 H new ATOM 0 HA VAL A 109 2.300 2.996 10.521 1.00 0.00 H new ATOM 0 HB VAL A 109 3.777 2.806 7.936 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.716 0.406 8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.780 0.696 9.449 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.016 0.851 9.626 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.660 2.159 6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.803 2.501 8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.618 3.817 7.524 1.00 0.00 H new ATOM 1587 N LYS A 110 4.134 2.386 11.966 1.00 0.00 N ATOM 1588 CA LYS A 110 5.114 1.965 12.938 1.00 0.00 C ATOM 1589 C LYS A 110 5.891 0.717 12.524 1.00 0.00 C ATOM 1590 O LYS A 110 5.240 -0.207 12.025 1.00 0.00 O ATOM 1591 CB LYS A 110 4.549 1.929 14.355 1.00 0.00 C ATOM 1592 CG LYS A 110 5.561 1.862 15.505 1.00 0.00 C ATOM 1593 CD LYS A 110 5.134 1.915 16.966 1.00 0.00 C ATOM 1594 CE LYS A 110 4.238 0.722 17.253 1.00 0.00 C ATOM 1595 NZ LYS A 110 4.112 0.451 18.694 1.00 0.00 N1+ ATOM 0 H LYS A 110 3.186 2.313 12.336 1.00 0.00 H new ATOM 0 HA LYS A 110 5.879 2.741 12.961 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.933 2.817 14.497 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.888 1.066 14.435 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.121 0.936 15.376 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.262 2.683 15.354 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.008 1.896 17.617 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.603 2.845 17.172 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.249 0.904 16.832 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.640 -0.160 16.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 3.492 -0.371 18.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.051 0.251 19.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.704 1.281 19.169 1.00 0.00 H new ATOM 1609 N CYS A 111 7.221 0.699 12.656 1.00 0.00 N ATOM 1610 CA CYS A 111 8.137 -0.357 12.285 1.00 0.00 C ATOM 1611 C CYS A 111 8.892 -0.918 13.479 1.00 0.00 C ATOM 1612 O CYS A 111 9.131 -0.167 14.432 1.00 0.00 O ATOM 1613 CB CYS A 111 9.119 0.351 11.361 1.00 0.00 C ATOM 1614 SG CYS A 111 8.393 1.020 9.843 1.00 0.00 S ATOM 0 H CYS A 111 7.715 1.495 13.060 1.00 0.00 H new ATOM 0 HA CYS A 111 7.616 -1.204 11.839 1.00 0.00 H new ATOM 0 HB2 CYS A 111 9.589 1.166 11.911 1.00 0.00 H new ATOM 0 HB3 CYS A 111 9.910 -0.349 11.090 1.00 0.00 H new ATOM 0 HG CYS A 111 8.877 0.387 8.815 1.00 0.00 H new ATOM 1620 N ILE A 112 9.367 -2.152 13.356 1.00 0.00 N ATOM 1621 CA ILE A 112 10.446 -2.704 14.150 1.00 0.00 C ATOM 1622 C ILE A 112 11.203 -3.849 13.490 1.00 0.00 C ATOM 1623 O ILE A 112 10.692 -4.563 12.633 1.00 0.00 O ATOM 1624 CB ILE A 112 9.898 -3.099 15.523 1.00 0.00 C ATOM 1625 CG1 ILE A 112 10.955 -3.082 16.622 1.00 0.00 C ATOM 1626 CG2 ILE A 112 8.888 -4.242 15.527 1.00 0.00 C ATOM 1627 CD1 ILE A 112 10.445 -3.031 18.064 1.00 0.00 C ATOM 0 H ILE A 112 8.995 -2.815 12.676 1.00 0.00 H new ATOM 0 HA ILE A 112 11.199 -1.923 14.254 1.00 0.00 H new ATOM 0 HB ILE A 112 9.237 -2.284 15.818 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.575 -3.971 16.512 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.602 -2.220 16.459 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.566 -4.439 16.549 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.025 -3.967 14.921 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.351 -5.138 15.113 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.292 -3.023 18.750 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.853 -2.127 18.209 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.826 -3.906 18.262 1.00 0.00 H new ATOM 1639 N GLU A 113 12.444 -4.045 13.937 1.00 0.00 N ATOM 1640 CA GLU A 113 13.334 -5.128 13.592 1.00 0.00 C ATOM 1641 C GLU A 113 12.887 -6.531 13.968 1.00 0.00 C ATOM 1642 O GLU A 113 13.682 -7.224 14.597 1.00 0.00 O ATOM 1643 CB GLU A 113 14.782 -4.781 13.932 1.00 0.00 C ATOM 1644 CG GLU A 113 14.956 -4.571 15.434 1.00 0.00 C ATOM 1645 CD GLU A 113 16.084 -3.554 15.557 1.00 0.00 C ATOM 1646 OE1 GLU A 113 17.172 -3.949 16.016 1.00 0.00 O ATOM 1647 OE2 GLU A 113 15.885 -2.377 15.157 1.00 0.00 O1- ATOM 0 H GLU A 113 12.874 -3.398 14.597 1.00 0.00 H new ATOM 0 HA GLU A 113 13.277 -5.211 12.507 1.00 0.00 H new ATOM 0 HB2 GLU A 113 15.440 -5.581 13.594 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.078 -3.878 13.398 1.00 0.00 H new ATOM 0 HG2 GLU A 113 14.038 -4.201 15.891 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.208 -5.504 15.937 1.00 0.00 H new ATOM 1654 N GLY A 114 11.624 -6.911 13.761 1.00 0.00 N ATOM 1655 CA GLY A 114 11.167 -8.241 14.107 1.00 0.00 C ATOM 1656 C GLY A 114 11.547 -9.404 13.197 1.00 0.00 C ATOM 0 H GLY A 114 10.907 -6.310 13.355 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.537 -8.468 15.107 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.079 -8.211 14.169 1.00 0.00 H new TER 1660 GLY A 114