USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 586 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 56 MET CE :methyl 163:sc= -4.51! (180deg=-5.3!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -121:sc= -0.386 (180deg=-1.61) USER MOD Set 2.1: A 30 ASN : amide:sc= -3.77 K(o=-4.4,f=1.1) USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.64) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -53:sc= 0.32 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 17 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.11) USER MOD Single : A 19 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.886) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -172:sc= 1.24 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 16:sc= 1.15 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 139:sc= -0.963 (180deg=-1.48) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.063 K(o=-0.063,f=1) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0277 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc=-0.00304 X(o=-0.003,f=-0.003) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0838 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.495 1.697 -6.642 1.00 0.00 N ATOM 2 CA GLY A 1 17.542 1.009 -7.493 1.00 0.00 C ATOM 3 C GLY A 1 16.656 0.054 -6.718 1.00 0.00 C ATOM 4 O GLY A 1 15.624 0.453 -6.179 1.00 0.00 O ATOM 0 H1 GLY A 1 19.077 2.338 -7.219 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.984 2.247 -5.922 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.109 1.000 -6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.920 1.744 -8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.080 0.456 -8.263 1.00 0.00 H new ATOM 8 N SER A 2 17.060 -1.211 -6.663 1.00 0.00 N ATOM 9 CA SER A 2 16.292 -2.228 -5.952 1.00 0.00 C ATOM 10 C SER A 2 17.092 -3.521 -5.823 1.00 0.00 C ATOM 11 O SER A 2 18.141 -3.679 -6.447 1.00 0.00 O ATOM 12 CB SER A 2 14.973 -2.501 -6.678 1.00 0.00 C ATOM 13 OG SER A 2 14.007 -3.041 -5.793 1.00 0.00 O ATOM 0 H SER A 2 17.914 -1.557 -7.102 1.00 0.00 H new ATOM 0 HA SER A 2 16.077 -1.853 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.595 -1.576 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.144 -3.194 -7.502 1.00 0.00 H new ATOM 0 HG SER A 2 13.173 -3.205 -6.280 1.00 0.00 H new ATOM 19 N SER A 3 16.587 -4.442 -5.009 1.00 0.00 N ATOM 20 CA SER A 3 17.255 -5.721 -4.794 1.00 0.00 C ATOM 21 C SER A 3 16.367 -6.879 -5.237 1.00 0.00 C ATOM 22 O SER A 3 16.788 -7.740 -6.008 1.00 0.00 O ATOM 23 CB SER A 3 17.628 -5.883 -3.320 1.00 0.00 C ATOM 24 OG SER A 3 18.726 -5.055 -2.977 1.00 0.00 O ATOM 0 H SER A 3 15.718 -4.327 -4.488 1.00 0.00 H new ATOM 0 HA SER A 3 18.164 -5.734 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.771 -5.633 -2.695 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.877 -6.925 -3.117 1.00 0.00 H new ATOM 0 HG SER A 3 18.943 -5.176 -2.029 1.00 0.00 H new ATOM 30 N GLY A 4 15.133 -6.893 -4.741 1.00 0.00 N ATOM 31 CA GLY A 4 14.203 -7.950 -5.095 1.00 0.00 C ATOM 32 C GLY A 4 14.410 -9.205 -4.270 1.00 0.00 C ATOM 33 O GLY A 4 14.809 -10.243 -4.797 1.00 0.00 O ATOM 0 H GLY A 4 14.761 -6.192 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.182 -7.593 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.317 -8.191 -6.152 1.00 0.00 H new ATOM 37 N SER A 5 14.140 -9.109 -2.972 1.00 0.00 N ATOM 38 CA SER A 5 14.304 -10.244 -2.071 1.00 0.00 C ATOM 39 C SER A 5 12.980 -10.604 -1.404 1.00 0.00 C ATOM 40 O SER A 5 12.649 -10.086 -0.337 1.00 0.00 O ATOM 41 CB SER A 5 15.356 -9.929 -1.006 1.00 0.00 C ATOM 42 OG SER A 5 16.607 -9.626 -1.600 1.00 0.00 O ATOM 0 H SER A 5 13.807 -8.257 -2.521 1.00 0.00 H new ATOM 0 HA SER A 5 14.638 -11.098 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.024 -9.086 -0.400 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.465 -10.781 -0.335 1.00 0.00 H new ATOM 0 HG SER A 5 17.262 -9.427 -0.899 1.00 0.00 H new ATOM 48 N SER A 6 12.226 -11.494 -2.040 1.00 0.00 N ATOM 49 CA SER A 6 10.936 -11.921 -1.511 1.00 0.00 C ATOM 50 C SER A 6 10.867 -13.442 -1.408 1.00 0.00 C ATOM 51 O SER A 6 11.359 -14.157 -2.280 1.00 0.00 O ATOM 52 CB SER A 6 9.801 -11.407 -2.399 1.00 0.00 C ATOM 53 OG SER A 6 9.931 -11.891 -3.724 1.00 0.00 O ATOM 0 H SER A 6 12.486 -11.934 -2.923 1.00 0.00 H new ATOM 0 HA SER A 6 10.825 -11.501 -0.511 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.842 -11.720 -1.987 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.805 -10.317 -2.405 1.00 0.00 H new ATOM 0 HG SER A 6 9.193 -11.550 -4.271 1.00 0.00 H new ATOM 59 N GLY A 7 10.252 -13.930 -0.335 1.00 0.00 N ATOM 60 CA GLY A 7 10.130 -15.362 -0.137 1.00 0.00 C ATOM 61 C GLY A 7 9.215 -15.711 1.020 1.00 0.00 C ATOM 62 O GLY A 7 9.654 -15.790 2.168 1.00 0.00 O ATOM 0 H GLY A 7 9.836 -13.359 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.748 -15.821 -1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.118 -15.786 0.044 1.00 0.00 H new ATOM 66 N LEU A 8 7.938 -15.920 0.719 1.00 0.00 N ATOM 67 CA LEU A 8 6.956 -16.261 1.744 1.00 0.00 C ATOM 68 C LEU A 8 6.133 -17.475 1.326 1.00 0.00 C ATOM 69 O LEU A 8 5.109 -17.342 0.657 1.00 0.00 O ATOM 70 CB LEU A 8 6.033 -15.071 2.009 1.00 0.00 C ATOM 71 CG LEU A 8 6.686 -13.843 2.646 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.939 -12.578 2.253 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.733 -13.989 4.160 1.00 0.00 C ATOM 0 H LEU A 8 7.558 -15.860 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 8 7.493 -16.507 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.583 -14.769 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.222 -15.403 2.657 1.00 0.00 H new ATOM 0 HG LEU A 8 7.709 -13.766 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.417 -11.715 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.958 -12.466 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.906 -12.645 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.201 -13.106 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.719 -14.091 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.313 -14.874 4.422 1.00 0.00 H new ATOM 85 N ASN A 9 6.587 -18.658 1.727 1.00 0.00 N ATOM 86 CA ASN A 9 5.891 -19.896 1.396 1.00 0.00 C ATOM 87 C ASN A 9 5.047 -20.377 2.572 1.00 0.00 C ATOM 88 O ASN A 9 5.513 -21.153 3.407 1.00 0.00 O ATOM 89 CB ASN A 9 6.896 -20.979 0.997 1.00 0.00 C ATOM 90 CG ASN A 9 6.265 -22.356 0.931 1.00 0.00 C ATOM 91 OD1 ASN A 9 5.107 -22.503 0.537 1.00 0.00 O ATOM 92 ND2 ASN A 9 7.025 -23.375 1.317 1.00 0.00 N ATOM 0 H ASN A 9 7.434 -18.785 2.281 1.00 0.00 H new ATOM 0 HA ASN A 9 5.228 -19.697 0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.326 -20.732 0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.716 -20.992 1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.654 -24.325 1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.979 -23.207 1.636 1.00 0.00 H new ATOM 99 N ASP A 10 3.804 -19.912 2.631 1.00 0.00 N ATOM 100 CA ASP A 10 2.894 -20.296 3.704 1.00 0.00 C ATOM 101 C ASP A 10 1.605 -20.885 3.139 1.00 0.00 C ATOM 102 O ASP A 10 1.296 -20.710 1.959 1.00 0.00 O ATOM 103 CB ASP A 10 2.574 -19.089 4.587 1.00 0.00 C ATOM 104 CG ASP A 10 3.593 -18.894 5.693 1.00 0.00 C ATOM 105 OD1 ASP A 10 4.643 -18.272 5.429 1.00 0.00 O ATOM 106 OD2 ASP A 10 3.340 -19.364 6.822 1.00 0.00 O ATOM 0 H ASP A 10 3.403 -19.269 1.948 1.00 0.00 H new ATOM 0 HA ASP A 10 3.386 -21.058 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.536 -18.191 3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.585 -19.216 5.027 1.00 0.00 H new ATOM 111 N LEU A 11 0.858 -21.583 3.987 1.00 0.00 N ATOM 112 CA LEU A 11 -0.398 -22.198 3.572 1.00 0.00 C ATOM 113 C LEU A 11 -1.566 -21.655 4.388 1.00 0.00 C ATOM 114 O LEU A 11 -1.934 -22.221 5.418 1.00 0.00 O ATOM 115 CB LEU A 11 -0.318 -23.718 3.723 1.00 0.00 C ATOM 116 CG LEU A 11 0.420 -24.466 2.611 1.00 0.00 C ATOM 117 CD1 LEU A 11 1.908 -24.542 2.916 1.00 0.00 C ATOM 118 CD2 LEU A 11 -0.162 -25.860 2.429 1.00 0.00 C ATOM 0 H LEU A 11 1.100 -21.737 4.966 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.566 -21.951 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.170 -23.944 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.333 -24.111 3.786 1.00 0.00 H new ATOM 0 HG LEU A 11 0.289 -23.916 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.417 -25.077 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.315 -23.534 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.060 -25.069 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.375 -26.378 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.062 -26.420 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.216 -25.782 2.164 1.00 0.00 H new ATOM 130 N LYS A 12 -2.148 -20.556 3.921 1.00 0.00 N ATOM 131 CA LYS A 12 -3.277 -19.937 4.604 1.00 0.00 C ATOM 132 C LYS A 12 -4.066 -19.043 3.653 1.00 0.00 C ATOM 133 O LYS A 12 -3.492 -18.394 2.779 1.00 0.00 O ATOM 134 CB LYS A 12 -2.789 -19.120 5.803 1.00 0.00 C ATOM 135 CG LYS A 12 -1.845 -17.992 5.425 1.00 0.00 C ATOM 136 CD LYS A 12 -0.944 -17.607 6.587 1.00 0.00 C ATOM 137 CE LYS A 12 0.256 -16.798 6.117 1.00 0.00 C ATOM 138 NZ LYS A 12 -0.138 -15.435 5.664 1.00 0.00 N ATOM 0 H LYS A 12 -1.856 -20.075 3.070 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.935 -20.731 4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.651 -18.702 6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.285 -19.785 6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.234 -18.297 4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.422 -17.124 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.513 -17.027 7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.600 -18.507 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.979 -16.716 6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.751 -17.323 5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.707 -14.915 5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.809 -15.512 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.588 -14.924 6.451 1.00 0.00 H new ATOM 152 N GLU A 13 -5.383 -19.014 3.830 1.00 0.00 N ATOM 153 CA GLU A 13 -6.249 -18.198 2.987 1.00 0.00 C ATOM 154 C GLU A 13 -7.150 -17.305 3.835 1.00 0.00 C ATOM 155 O GLU A 13 -8.323 -17.110 3.518 1.00 0.00 O ATOM 156 CB GLU A 13 -7.101 -19.089 2.081 1.00 0.00 C ATOM 157 CG GLU A 13 -7.659 -18.365 0.866 1.00 0.00 C ATOM 158 CD GLU A 13 -8.461 -19.279 -0.039 1.00 0.00 C ATOM 159 OE1 GLU A 13 -9.543 -19.735 0.387 1.00 0.00 O ATOM 160 OE2 GLU A 13 -8.008 -19.537 -1.174 1.00 0.00 O ATOM 0 H GLU A 13 -5.873 -19.546 4.549 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.616 -17.562 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.499 -19.933 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.928 -19.498 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.291 -17.541 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.837 -17.928 0.299 1.00 0.00 H new ATOM 167 N SER A 14 -6.593 -16.767 4.915 1.00 0.00 N ATOM 168 CA SER A 14 -7.346 -15.899 5.812 1.00 0.00 C ATOM 169 C SER A 14 -8.178 -14.892 5.022 1.00 0.00 C ATOM 170 O SER A 14 -9.356 -14.683 5.309 1.00 0.00 O ATOM 171 CB SER A 14 -6.397 -15.162 6.759 1.00 0.00 C ATOM 172 OG SER A 14 -5.399 -14.461 6.037 1.00 0.00 O ATOM 0 H SER A 14 -5.622 -16.917 5.190 1.00 0.00 H new ATOM 0 HA SER A 14 -8.021 -16.522 6.398 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.963 -14.463 7.375 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.927 -15.875 7.436 1.00 0.00 H new ATOM 0 HG SER A 14 -4.806 -13.997 6.665 1.00 0.00 H new ATOM 178 N SER A 15 -7.554 -14.272 4.025 1.00 0.00 N ATOM 179 CA SER A 15 -8.234 -13.284 3.195 1.00 0.00 C ATOM 180 C SER A 15 -9.084 -12.349 4.050 1.00 0.00 C ATOM 181 O SER A 15 -10.194 -11.979 3.670 1.00 0.00 O ATOM 182 CB SER A 15 -9.113 -13.980 2.153 1.00 0.00 C ATOM 183 OG SER A 15 -9.581 -13.059 1.184 1.00 0.00 O ATOM 0 H SER A 15 -6.579 -14.436 3.773 1.00 0.00 H new ATOM 0 HA SER A 15 -7.475 -12.692 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.545 -14.771 1.663 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.961 -14.455 2.647 1.00 0.00 H new ATOM 0 HG SER A 15 -10.009 -12.300 1.633 1.00 0.00 H new ATOM 189 N ASN A 16 -8.553 -11.969 5.208 1.00 0.00 N ATOM 190 CA ASN A 16 -9.261 -11.077 6.118 1.00 0.00 C ATOM 191 C ASN A 16 -8.954 -9.618 5.798 1.00 0.00 C ATOM 192 O ASN A 16 -9.847 -8.848 5.445 1.00 0.00 O ATOM 193 CB ASN A 16 -8.879 -11.385 7.567 1.00 0.00 C ATOM 194 CG ASN A 16 -9.787 -12.423 8.197 1.00 0.00 C ATOM 195 OD1 ASN A 16 -9.514 -13.622 8.135 1.00 0.00 O ATOM 196 ND2 ASN A 16 -10.873 -11.966 8.809 1.00 0.00 N ATOM 0 H ASN A 16 -7.634 -12.265 5.538 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.331 -11.241 5.989 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.849 -11.739 7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.920 -10.467 8.153 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.521 -12.617 9.252 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.060 -10.964 8.836 1.00 0.00 H new ATOM 203 N ASN A 17 -7.685 -9.244 5.924 1.00 0.00 N ATOM 204 CA ASN A 17 -7.260 -7.877 5.648 1.00 0.00 C ATOM 205 C ASN A 17 -7.313 -7.582 4.152 1.00 0.00 C ATOM 206 O ASN A 17 -7.536 -8.479 3.340 1.00 0.00 O ATOM 207 CB ASN A 17 -5.843 -7.645 6.175 1.00 0.00 C ATOM 208 CG ASN A 17 -5.605 -8.322 7.511 1.00 0.00 C ATOM 209 OD1 ASN A 17 -6.050 -7.840 8.552 1.00 0.00 O ATOM 210 ND2 ASN A 17 -4.899 -9.447 7.487 1.00 0.00 N ATOM 0 H ASN A 17 -6.933 -9.869 6.215 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.945 -7.200 6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.122 -8.019 5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.667 -6.574 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.707 -9.947 8.355 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.549 -9.811 6.601 1.00 0.00 H new ATOM 217 N ARG A 18 -7.104 -6.319 3.796 1.00 0.00 N ATOM 218 CA ARG A 18 -7.128 -5.905 2.398 1.00 0.00 C ATOM 219 C ARG A 18 -5.720 -5.895 1.809 1.00 0.00 C ATOM 220 O ARG A 18 -4.731 -5.964 2.538 1.00 0.00 O ATOM 221 CB ARG A 18 -7.758 -4.517 2.265 1.00 0.00 C ATOM 222 CG ARG A 18 -9.266 -4.548 2.076 1.00 0.00 C ATOM 223 CD ARG A 18 -9.767 -3.286 1.392 1.00 0.00 C ATOM 224 NE ARG A 18 -11.167 -3.013 1.706 1.00 0.00 N ATOM 225 CZ ARG A 18 -12.185 -3.654 1.143 1.00 0.00 C ATOM 226 NH1 ARG A 18 -11.960 -4.601 0.242 1.00 0.00 N ATOM 227 NH2 ARG A 18 -13.432 -3.349 1.481 1.00 0.00 N ATOM 0 H ARG A 18 -6.916 -5.564 4.456 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.730 -6.624 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.524 -3.934 3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.305 -4.001 1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.542 -5.419 1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.753 -4.656 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.154 -2.439 1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.651 -3.388 0.313 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.374 -2.290 2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.003 -4.839 -0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.744 -5.092 -0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.609 -2.622 2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.213 -3.842 1.048 1.00 0.00 H new ATOM 241 N LYS A 19 -5.639 -5.810 0.486 1.00 0.00 N ATOM 242 CA LYS A 19 -4.353 -5.790 -0.202 1.00 0.00 C ATOM 243 C LYS A 19 -4.345 -4.741 -1.310 1.00 0.00 C ATOM 244 O LYS A 19 -5.352 -4.530 -1.985 1.00 0.00 O ATOM 245 CB LYS A 19 -4.044 -7.169 -0.788 1.00 0.00 C ATOM 246 CG LYS A 19 -3.855 -8.249 0.263 1.00 0.00 C ATOM 247 CD LYS A 19 -2.414 -8.314 0.743 1.00 0.00 C ATOM 248 CE LYS A 19 -1.595 -9.293 -0.084 1.00 0.00 C ATOM 249 NZ LYS A 19 -0.150 -8.937 -0.095 1.00 0.00 N ATOM 0 H LYS A 19 -6.449 -5.754 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.584 -5.530 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.855 -7.461 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.141 -7.102 -1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.513 -8.053 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.146 -9.215 -0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.965 -7.322 0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.392 -8.613 1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.718 -10.299 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.973 -9.309 -1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.153 -8.745 -1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.003 -8.089 0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.405 -9.727 0.291 1.00 0.00 H new ATOM 263 N ALA A 20 -3.202 -4.089 -1.492 1.00 0.00 N ATOM 264 CA ALA A 20 -3.062 -3.065 -2.520 1.00 0.00 C ATOM 265 C ALA A 20 -1.628 -2.994 -3.033 1.00 0.00 C ATOM 266 O ALA A 20 -0.693 -3.416 -2.351 1.00 0.00 O ATOM 267 CB ALA A 20 -3.499 -1.711 -1.980 1.00 0.00 C ATOM 0 H ALA A 20 -2.359 -4.252 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.706 -3.335 -3.357 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.389 -0.956 -2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.543 -1.763 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.879 -1.443 -1.125 1.00 0.00 H new ATOM 273 N ARG A 21 -1.461 -2.458 -4.237 1.00 0.00 N ATOM 274 CA ARG A 21 -0.140 -2.333 -4.841 1.00 0.00 C ATOM 275 C ARG A 21 0.387 -0.907 -4.709 1.00 0.00 C ATOM 276 O ARG A 21 -0.318 0.057 -5.007 1.00 0.00 O ATOM 277 CB ARG A 21 -0.190 -2.734 -6.317 1.00 0.00 C ATOM 278 CG ARG A 21 1.001 -2.243 -7.123 1.00 0.00 C ATOM 279 CD ARG A 21 0.762 -2.392 -8.617 1.00 0.00 C ATOM 280 NE ARG A 21 0.452 -3.770 -8.988 1.00 0.00 N ATOM 281 CZ ARG A 21 0.524 -4.231 -10.232 1.00 0.00 C ATOM 282 NH1 ARG A 21 0.893 -3.427 -11.219 1.00 0.00 N ATOM 283 NH2 ARG A 21 0.227 -5.498 -10.489 1.00 0.00 N ATOM 0 H ARG A 21 -2.224 -2.103 -4.814 1.00 0.00 H new ATOM 0 HA ARG A 21 0.538 -3.003 -4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.243 -3.820 -6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.105 -2.341 -6.761 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.195 -1.197 -6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.891 -2.804 -6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.059 -1.742 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.647 -2.061 -9.160 1.00 0.00 H new ATOM 0 HE ARG A 21 0.164 -4.414 -8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.122 -2.452 -11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.948 -3.783 -12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.057 -6.119 -9.731 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.282 -5.851 -11.444 1.00 0.00 H new ATOM 297 N VAL A 22 1.631 -0.781 -4.258 1.00 0.00 N ATOM 298 CA VAL A 22 2.253 0.527 -4.086 1.00 0.00 C ATOM 299 C VAL A 22 2.621 1.142 -5.432 1.00 0.00 C ATOM 300 O VAL A 22 3.171 0.469 -6.305 1.00 0.00 O ATOM 301 CB VAL A 22 3.518 0.436 -3.212 1.00 0.00 C ATOM 302 CG1 VAL A 22 4.241 1.774 -3.179 1.00 0.00 C ATOM 303 CG2 VAL A 22 3.161 -0.021 -1.805 1.00 0.00 C ATOM 0 H VAL A 22 2.228 -1.568 -4.005 1.00 0.00 H new ATOM 0 HA VAL A 22 1.521 1.163 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 22 4.190 -0.302 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.132 1.691 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.530 2.056 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.579 2.535 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.066 -0.080 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.470 0.692 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.690 -1.003 -1.850 1.00 0.00 H new ATOM 313 N LEU A 23 2.315 2.424 -5.593 1.00 0.00 N ATOM 314 CA LEU A 23 2.615 3.132 -6.834 1.00 0.00 C ATOM 315 C LEU A 23 3.968 3.831 -6.749 1.00 0.00 C ATOM 316 O LEU A 23 4.625 4.058 -7.765 1.00 0.00 O ATOM 317 CB LEU A 23 1.518 4.154 -7.138 1.00 0.00 C ATOM 318 CG LEU A 23 0.084 3.703 -6.858 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.901 4.808 -7.208 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.238 2.434 -7.634 1.00 0.00 C ATOM 0 H LEU A 23 1.860 2.995 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 23 2.656 2.400 -7.641 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.715 5.053 -6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.591 4.434 -8.189 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.007 3.487 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.916 4.469 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.685 5.692 -6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.809 5.056 -8.265 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.263 2.128 -7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.129 2.623 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.447 1.641 -7.334 1.00 0.00 H new ATOM 332 N TYR A 24 4.378 4.167 -5.531 1.00 0.00 N ATOM 333 CA TYR A 24 5.653 4.840 -5.313 1.00 0.00 C ATOM 334 C TYR A 24 6.230 4.486 -3.946 1.00 0.00 C ATOM 335 O TYR A 24 5.491 4.203 -3.003 1.00 0.00 O ATOM 336 CB TYR A 24 5.480 6.356 -5.429 1.00 0.00 C ATOM 337 CG TYR A 24 4.528 6.774 -6.527 1.00 0.00 C ATOM 338 CD1 TYR A 24 3.162 6.866 -6.291 1.00 0.00 C ATOM 339 CD2 TYR A 24 4.995 7.079 -7.799 1.00 0.00 C ATOM 340 CE1 TYR A 24 2.288 7.247 -7.291 1.00 0.00 C ATOM 341 CE2 TYR A 24 4.129 7.462 -8.805 1.00 0.00 C ATOM 342 CZ TYR A 24 2.777 7.545 -8.546 1.00 0.00 C ATOM 343 OH TYR A 24 1.910 7.926 -9.545 1.00 0.00 O ATOM 0 H TYR A 24 3.846 3.984 -4.680 1.00 0.00 H new ATOM 0 HA TYR A 24 6.349 4.500 -6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.118 6.746 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.453 6.812 -5.611 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.777 6.636 -5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.053 7.016 -8.005 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.229 7.311 -7.091 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.509 7.695 -9.789 1.00 0.00 H new ATOM 0 HH TYR A 24 2.414 8.101 -10.367 1.00 0.00 H new ATOM 353 N ASP A 25 7.554 4.505 -3.847 1.00 0.00 N ATOM 354 CA ASP A 25 8.232 4.188 -2.596 1.00 0.00 C ATOM 355 C ASP A 25 8.024 5.296 -1.569 1.00 0.00 C ATOM 356 O ASP A 25 8.381 6.451 -1.805 1.00 0.00 O ATOM 357 CB ASP A 25 9.727 3.976 -2.840 1.00 0.00 C ATOM 358 CG ASP A 25 10.307 4.996 -3.800 1.00 0.00 C ATOM 359 OD1 ASP A 25 10.017 4.902 -5.011 1.00 0.00 O ATOM 360 OD2 ASP A 25 11.052 5.887 -3.341 1.00 0.00 O ATOM 0 H ASP A 25 8.180 4.737 -4.619 1.00 0.00 H new ATOM 0 HA ASP A 25 7.802 3.267 -2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.259 4.032 -1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.889 2.974 -3.237 1.00 0.00 H new ATOM 365 N TYR A 26 7.443 4.938 -0.429 1.00 0.00 N ATOM 366 CA TYR A 26 7.184 5.903 0.633 1.00 0.00 C ATOM 367 C TYR A 26 8.135 5.690 1.807 1.00 0.00 C ATOM 368 O TYR A 26 8.650 4.591 2.011 1.00 0.00 O ATOM 369 CB TYR A 26 5.735 5.792 1.109 1.00 0.00 C ATOM 370 CG TYR A 26 5.366 6.807 2.168 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.254 8.156 1.856 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.129 6.415 3.480 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.918 9.086 2.821 1.00 0.00 C ATOM 374 CE2 TYR A 26 4.791 7.338 4.450 1.00 0.00 C ATOM 375 CZ TYR A 26 4.687 8.672 4.116 1.00 0.00 C ATOM 376 OH TYR A 26 4.351 9.596 5.080 1.00 0.00 O ATOM 0 H TYR A 26 7.143 3.987 -0.217 1.00 0.00 H new ATOM 0 HA TYR A 26 7.352 6.902 0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.070 5.914 0.254 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.567 4.790 1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.433 8.483 0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.210 5.371 3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.837 10.131 2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.609 7.017 5.465 1.00 0.00 H new ATOM 0 HH TYR A 26 4.346 9.164 5.960 1.00 0.00 H new ATOM 386 N ASP A 27 8.362 6.749 2.576 1.00 0.00 N ATOM 387 CA ASP A 27 9.249 6.679 3.731 1.00 0.00 C ATOM 388 C ASP A 27 8.538 7.162 4.992 1.00 0.00 C ATOM 389 O ASP A 27 8.341 8.362 5.184 1.00 0.00 O ATOM 390 CB ASP A 27 10.506 7.516 3.487 1.00 0.00 C ATOM 391 CG ASP A 27 11.622 6.712 2.850 1.00 0.00 C ATOM 392 OD1 ASP A 27 11.415 6.191 1.734 1.00 0.00 O ATOM 393 OD2 ASP A 27 12.702 6.602 3.468 1.00 0.00 O ATOM 0 H ASP A 27 7.944 7.666 2.420 1.00 0.00 H new ATOM 0 HA ASP A 27 9.538 5.638 3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.258 8.360 2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.854 7.928 4.434 1.00 0.00 H new ATOM 398 N ALA A 28 8.154 6.220 5.846 1.00 0.00 N ATOM 399 CA ALA A 28 7.466 6.549 7.088 1.00 0.00 C ATOM 400 C ALA A 28 8.029 7.825 7.706 1.00 0.00 C ATOM 401 O ALA A 28 9.243 8.009 7.774 1.00 0.00 O ATOM 402 CB ALA A 28 7.572 5.393 8.072 1.00 0.00 C ATOM 0 H ALA A 28 8.308 5.222 5.701 1.00 0.00 H new ATOM 0 HA ALA A 28 6.415 6.721 6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.054 5.652 8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.117 4.503 7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.622 5.195 8.289 1.00 0.00 H new ATOM 408 N ALA A 29 7.137 8.703 8.154 1.00 0.00 N ATOM 409 CA ALA A 29 7.545 9.961 8.767 1.00 0.00 C ATOM 410 C ALA A 29 7.842 9.777 10.251 1.00 0.00 C ATOM 411 O ALA A 29 8.720 10.438 10.804 1.00 0.00 O ATOM 412 CB ALA A 29 6.469 11.018 8.568 1.00 0.00 C ATOM 0 H ALA A 29 6.127 8.566 8.104 1.00 0.00 H new ATOM 0 HA ALA A 29 8.461 10.295 8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.787 11.952 9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.308 11.177 7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.540 10.683 9.029 1.00 0.00 H new ATOM 418 N ASN A 30 7.104 8.876 10.891 1.00 0.00 N ATOM 419 CA ASN A 30 7.287 8.607 12.312 1.00 0.00 C ATOM 420 C ASN A 30 6.954 7.154 12.638 1.00 0.00 C ATOM 421 O ASN A 30 6.594 6.376 11.755 1.00 0.00 O ATOM 422 CB ASN A 30 6.411 9.543 13.147 1.00 0.00 C ATOM 423 CG ASN A 30 5.156 9.969 12.412 1.00 0.00 C ATOM 424 OD1 ASN A 30 4.749 11.129 12.475 1.00 0.00 O ATOM 425 ND2 ASN A 30 4.534 9.029 11.708 1.00 0.00 N ATOM 0 H ASN A 30 6.373 8.320 10.447 1.00 0.00 H new ATOM 0 HA ASN A 30 8.334 8.785 12.558 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.133 9.044 14.075 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.987 10.427 13.420 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.684 9.257 11.192 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.907 8.080 11.684 1.00 0.00 H new ATOM 432 N SER A 31 7.075 6.797 13.913 1.00 0.00 N ATOM 433 CA SER A 31 6.789 5.437 14.356 1.00 0.00 C ATOM 434 C SER A 31 5.349 5.051 14.031 1.00 0.00 C ATOM 435 O SER A 31 4.992 3.872 14.040 1.00 0.00 O ATOM 436 CB SER A 31 7.037 5.306 15.860 1.00 0.00 C ATOM 437 OG SER A 31 8.407 5.069 16.132 1.00 0.00 O ATOM 0 H SER A 31 7.369 7.430 14.657 1.00 0.00 H new ATOM 0 HA SER A 31 7.457 4.760 13.824 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.715 6.216 16.366 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.437 4.489 16.261 1.00 0.00 H new ATOM 0 HG SER A 31 8.540 4.991 17.100 1.00 0.00 H new ATOM 443 N THR A 32 4.525 6.054 13.743 1.00 0.00 N ATOM 444 CA THR A 32 3.124 5.821 13.416 1.00 0.00 C ATOM 445 C THR A 32 2.929 5.667 11.912 1.00 0.00 C ATOM 446 O THR A 32 1.855 5.954 11.384 1.00 0.00 O ATOM 447 CB THR A 32 2.230 6.969 13.923 1.00 0.00 C ATOM 448 OG1 THR A 32 2.854 8.230 13.655 1.00 0.00 O ATOM 449 CG2 THR A 32 1.970 6.833 15.415 1.00 0.00 C ATOM 0 H THR A 32 4.804 7.035 13.730 1.00 0.00 H new ATOM 0 HA THR A 32 2.833 4.896 13.914 1.00 0.00 H new ATOM 0 HB THR A 32 1.276 6.917 13.398 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.279 8.955 13.978 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.337 7.654 15.750 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.469 5.885 15.612 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.917 6.862 15.954 1.00 0.00 H new ATOM 457 N GLU A 33 3.974 5.211 11.228 1.00 0.00 N ATOM 458 CA GLU A 33 3.915 5.019 9.783 1.00 0.00 C ATOM 459 C GLU A 33 4.926 3.969 9.333 1.00 0.00 C ATOM 460 O GLU A 33 5.952 3.759 9.982 1.00 0.00 O ATOM 461 CB GLU A 33 4.180 6.341 9.060 1.00 0.00 C ATOM 462 CG GLU A 33 3.163 7.424 9.378 1.00 0.00 C ATOM 463 CD GLU A 33 3.424 8.711 8.620 1.00 0.00 C ATOM 464 OE1 GLU A 33 4.185 8.671 7.630 1.00 0.00 O ATOM 465 OE2 GLU A 33 2.868 9.756 9.015 1.00 0.00 O ATOM 0 H GLU A 33 4.870 4.968 11.650 1.00 0.00 H new ATOM 0 HA GLU A 33 2.915 4.668 9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.174 6.699 9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.184 6.163 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.164 7.061 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.178 7.628 10.449 1.00 0.00 H new ATOM 472 N LEU A 34 4.630 3.311 8.218 1.00 0.00 N ATOM 473 CA LEU A 34 5.512 2.281 7.679 1.00 0.00 C ATOM 474 C LEU A 34 6.026 2.673 6.298 1.00 0.00 C ATOM 475 O LEU A 34 5.355 3.388 5.554 1.00 0.00 O ATOM 476 CB LEU A 34 4.777 0.942 7.601 1.00 0.00 C ATOM 477 CG LEU A 34 4.905 0.034 8.825 1.00 0.00 C ATOM 478 CD1 LEU A 34 4.083 -1.232 8.638 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.365 -0.310 9.083 1.00 0.00 C ATOM 0 H LEU A 34 3.786 3.472 7.669 1.00 0.00 H new ATOM 0 HA LEU A 34 6.366 2.181 8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.719 1.140 7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.144 0.399 6.730 1.00 0.00 H new ATOM 0 HG LEU A 34 4.519 0.569 9.693 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.186 -1.866 9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.034 -0.968 8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.439 -1.770 7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.437 -0.957 9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.776 -0.826 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.929 0.606 9.261 1.00 0.00 H new ATOM 491 N SER A 35 7.221 2.198 5.960 1.00 0.00 N ATOM 492 CA SER A 35 7.827 2.499 4.668 1.00 0.00 C ATOM 493 C SER A 35 7.158 1.698 3.555 1.00 0.00 C ATOM 494 O SER A 35 6.588 0.634 3.796 1.00 0.00 O ATOM 495 CB SER A 35 9.326 2.196 4.701 1.00 0.00 C ATOM 496 OG SER A 35 9.980 2.734 3.565 1.00 0.00 O ATOM 0 H SER A 35 7.789 1.603 6.563 1.00 0.00 H new ATOM 0 HA SER A 35 7.683 3.560 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.764 2.612 5.608 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.482 1.118 4.737 1.00 0.00 H new ATOM 0 HG SER A 35 9.399 3.396 3.136 1.00 0.00 H new ATOM 502 N LEU A 36 7.233 2.218 2.335 1.00 0.00 N ATOM 503 CA LEU A 36 6.636 1.553 1.182 1.00 0.00 C ATOM 504 C LEU A 36 7.570 1.609 -0.023 1.00 0.00 C ATOM 505 O LEU A 36 8.324 2.568 -0.193 1.00 0.00 O ATOM 506 CB LEU A 36 5.295 2.199 0.833 1.00 0.00 C ATOM 507 CG LEU A 36 4.372 2.509 2.013 1.00 0.00 C ATOM 508 CD1 LEU A 36 3.121 3.231 1.537 1.00 0.00 C ATOM 509 CD2 LEU A 36 4.004 1.230 2.751 1.00 0.00 C ATOM 0 H LEU A 36 7.701 3.098 2.119 1.00 0.00 H new ATOM 0 HA LEU A 36 6.471 0.507 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.490 3.128 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.765 1.540 0.146 1.00 0.00 H new ATOM 0 HG LEU A 36 4.903 3.164 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.477 3.443 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.403 4.166 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.586 2.602 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.347 1.469 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.492 0.551 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.910 0.753 3.126 1.00 0.00 H new ATOM 521 N LEU A 37 7.512 0.578 -0.859 1.00 0.00 N ATOM 522 CA LEU A 37 8.350 0.511 -2.051 1.00 0.00 C ATOM 523 C LEU A 37 7.499 0.517 -3.316 1.00 0.00 C ATOM 524 O LEU A 37 6.310 0.203 -3.278 1.00 0.00 O ATOM 525 CB LEU A 37 9.223 -0.745 -2.015 1.00 0.00 C ATOM 526 CG LEU A 37 10.495 -0.654 -1.172 1.00 0.00 C ATOM 527 CD1 LEU A 37 11.101 -2.034 -0.969 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.502 0.282 -1.826 1.00 0.00 C ATOM 0 H LEU A 37 6.893 -0.223 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 37 8.992 1.392 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.620 -1.572 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.506 -0.996 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 37 10.232 -0.248 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.006 -1.949 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.383 -2.675 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.349 -2.468 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.401 0.335 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.760 -0.095 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.067 1.277 -1.919 1.00 0.00 H new ATOM 540 N ALA A 38 8.117 0.874 -4.438 1.00 0.00 N ATOM 541 CA ALA A 38 7.417 0.916 -5.715 1.00 0.00 C ATOM 542 C ALA A 38 7.274 -0.481 -6.309 1.00 0.00 C ATOM 543 O ALA A 38 8.245 -1.233 -6.391 1.00 0.00 O ATOM 544 CB ALA A 38 8.146 1.833 -6.687 1.00 0.00 C ATOM 0 H ALA A 38 9.101 1.138 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 38 6.417 1.312 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.612 1.855 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.191 2.840 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.158 1.462 -6.848 1.00 0.00 H new ATOM 550 N ASP A 39 6.059 -0.822 -6.722 1.00 0.00 N ATOM 551 CA ASP A 39 5.789 -2.129 -7.309 1.00 0.00 C ATOM 552 C ASP A 39 5.760 -3.212 -6.235 1.00 0.00 C ATOM 553 O ASP A 39 6.242 -4.324 -6.448 1.00 0.00 O ATOM 554 CB ASP A 39 6.846 -2.467 -8.362 1.00 0.00 C ATOM 555 CG ASP A 39 7.270 -1.254 -9.166 1.00 0.00 C ATOM 556 OD1 ASP A 39 8.229 -0.571 -8.750 1.00 0.00 O ATOM 557 OD2 ASP A 39 6.643 -0.987 -10.213 1.00 0.00 O ATOM 0 H ASP A 39 5.245 -0.211 -6.661 1.00 0.00 H new ATOM 0 HA ASP A 39 4.810 -2.090 -7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.719 -2.897 -7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.452 -3.227 -9.037 1.00 0.00 H new ATOM 562 N GLU A 40 5.193 -2.878 -5.080 1.00 0.00 N ATOM 563 CA GLU A 40 5.103 -3.821 -3.972 1.00 0.00 C ATOM 564 C GLU A 40 3.707 -3.807 -3.356 1.00 0.00 C ATOM 565 O GLU A 40 3.144 -2.745 -3.090 1.00 0.00 O ATOM 566 CB GLU A 40 6.147 -3.488 -2.904 1.00 0.00 C ATOM 567 CG GLU A 40 5.634 -2.550 -1.824 1.00 0.00 C ATOM 568 CD GLU A 40 6.585 -2.440 -0.648 1.00 0.00 C ATOM 569 OE1 GLU A 40 7.577 -3.197 -0.613 1.00 0.00 O ATOM 570 OE2 GLU A 40 6.336 -1.595 0.238 1.00 0.00 O ATOM 0 H GLU A 40 4.789 -1.961 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 40 5.298 -4.820 -4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.487 -4.413 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.015 -3.036 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.476 -1.560 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.665 -2.903 -1.471 1.00 0.00 H new ATOM 577 N VAL A 41 3.153 -4.995 -3.134 1.00 0.00 N ATOM 578 CA VAL A 41 1.823 -5.120 -2.549 1.00 0.00 C ATOM 579 C VAL A 41 1.897 -5.649 -1.122 1.00 0.00 C ATOM 580 O VAL A 41 2.425 -6.735 -0.878 1.00 0.00 O ATOM 581 CB VAL A 41 0.928 -6.055 -3.386 1.00 0.00 C ATOM 582 CG1 VAL A 41 -0.429 -6.230 -2.722 1.00 0.00 C ATOM 583 CG2 VAL A 41 0.773 -5.518 -4.800 1.00 0.00 C ATOM 0 H VAL A 41 3.604 -5.884 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 41 1.386 -4.121 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 41 1.407 -7.033 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.047 -6.893 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.296 -6.662 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.918 -5.260 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.138 -6.190 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.317 -4.529 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.753 -5.449 -5.273 1.00 0.00 H new ATOM 593 N ILE A 42 1.365 -4.876 -0.181 1.00 0.00 N ATOM 594 CA ILE A 42 1.370 -5.268 1.223 1.00 0.00 C ATOM 595 C ILE A 42 -0.050 -5.416 1.757 1.00 0.00 C ATOM 596 O ILE A 42 -1.022 -5.115 1.063 1.00 0.00 O ATOM 597 CB ILE A 42 2.129 -4.246 2.090 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.452 -2.876 2.011 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.582 -4.151 1.648 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.842 -1.944 3.138 1.00 0.00 C ATOM 0 H ILE A 42 0.925 -3.974 -0.366 1.00 0.00 H new ATOM 0 HA ILE A 42 1.879 -6.230 1.280 1.00 0.00 H new ATOM 0 HB ILE A 42 2.107 -4.583 3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.705 -2.409 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.371 -3.013 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.105 -3.425 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.058 -5.126 1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.625 -3.834 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.325 -0.992 3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.563 -2.391 4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.919 -1.777 3.116 1.00 0.00 H new ATOM 612 N THR A 43 -0.165 -5.882 2.997 1.00 0.00 N ATOM 613 CA THR A 43 -1.466 -6.070 3.626 1.00 0.00 C ATOM 614 C THR A 43 -1.943 -4.786 4.296 1.00 0.00 C ATOM 615 O THR A 43 -1.293 -4.269 5.205 1.00 0.00 O ATOM 616 CB THR A 43 -1.426 -7.198 4.674 1.00 0.00 C ATOM 617 OG1 THR A 43 -0.910 -8.396 4.084 1.00 0.00 O ATOM 618 CG2 THR A 43 -2.814 -7.462 5.238 1.00 0.00 C ATOM 0 H THR A 43 0.628 -6.136 3.586 1.00 0.00 H new ATOM 0 HA THR A 43 -2.163 -6.345 2.834 1.00 0.00 H new ATOM 0 HB THR A 43 -0.774 -6.884 5.489 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.886 -9.108 4.757 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.761 -8.262 5.976 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.193 -6.556 5.712 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.485 -7.757 4.431 1.00 0.00 H new ATOM 626 N VAL A 44 -3.084 -4.276 3.842 1.00 0.00 N ATOM 627 CA VAL A 44 -3.650 -3.053 4.399 1.00 0.00 C ATOM 628 C VAL A 44 -5.025 -3.310 5.003 1.00 0.00 C ATOM 629 O VAL A 44 -5.801 -4.115 4.487 1.00 0.00 O ATOM 630 CB VAL A 44 -3.768 -1.951 3.329 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.399 -1.609 2.760 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.721 -2.383 2.224 1.00 0.00 C ATOM 0 H VAL A 44 -3.634 -4.691 3.090 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.970 -2.717 5.182 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.173 -1.055 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.503 -0.829 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.750 -1.255 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.962 -2.498 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.793 -1.593 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.346 -3.293 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.707 -2.573 2.648 1.00 0.00 H new ATOM 642 N PHE A 45 -5.322 -2.620 6.099 1.00 0.00 N ATOM 643 CA PHE A 45 -6.606 -2.773 6.775 1.00 0.00 C ATOM 644 C PHE A 45 -6.966 -1.509 7.550 1.00 0.00 C ATOM 645 O PHE A 45 -6.095 -0.836 8.101 1.00 0.00 O ATOM 646 CB PHE A 45 -6.567 -3.973 7.723 1.00 0.00 C ATOM 647 CG PHE A 45 -5.321 -4.036 8.559 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.078 -4.190 7.965 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.392 -3.941 9.940 1.00 0.00 C ATOM 650 CE1 PHE A 45 -2.930 -4.248 8.732 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.247 -3.998 10.712 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.014 -4.153 10.107 1.00 0.00 C ATOM 0 H PHE A 45 -4.691 -1.949 6.538 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.370 -2.943 6.017 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.435 -3.934 8.381 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.650 -4.890 7.139 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.006 -4.266 6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.353 -3.821 10.418 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.968 -4.368 8.256 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.316 -3.921 11.787 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.118 -4.200 10.708 1.00 0.00 H new ATOM 662 N SER A 46 -8.257 -1.193 7.588 1.00 0.00 N ATOM 663 CA SER A 46 -8.733 -0.008 8.292 1.00 0.00 C ATOM 664 C SER A 46 -8.835 -0.271 9.791 1.00 0.00 C ATOM 665 O SER A 46 -9.074 -1.400 10.221 1.00 0.00 O ATOM 666 CB SER A 46 -10.095 0.422 7.745 1.00 0.00 C ATOM 667 OG SER A 46 -10.092 0.445 6.328 1.00 0.00 O ATOM 0 H SER A 46 -8.991 -1.741 7.140 1.00 0.00 H new ATOM 0 HA SER A 46 -8.014 0.795 8.130 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.865 -0.263 8.099 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.348 1.411 8.127 1.00 0.00 H new ATOM 0 HG SER A 46 -10.974 0.721 6.003 1.00 0.00 H new ATOM 673 N VAL A 47 -8.650 0.780 10.584 1.00 0.00 N ATOM 674 CA VAL A 47 -8.722 0.665 12.036 1.00 0.00 C ATOM 675 C VAL A 47 -9.514 1.819 12.640 1.00 0.00 C ATOM 676 O VAL A 47 -9.455 2.948 12.154 1.00 0.00 O ATOM 677 CB VAL A 47 -7.317 0.635 12.666 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.400 0.258 14.138 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.415 -0.330 11.911 1.00 0.00 C ATOM 0 H VAL A 47 -8.449 1.721 10.245 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.230 -0.274 12.255 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.884 1.633 12.594 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.398 0.242 14.567 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.009 0.991 14.667 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.852 -0.729 14.236 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.426 -0.338 12.370 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.841 -1.332 11.949 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.330 -0.011 10.872 1.00 0.00 H new ATOM 689 N VAL A 48 -10.255 1.527 13.705 1.00 0.00 N ATOM 690 CA VAL A 48 -11.058 2.541 14.378 1.00 0.00 C ATOM 691 C VAL A 48 -10.212 3.752 14.753 1.00 0.00 C ATOM 692 O VAL A 48 -9.104 3.613 15.269 1.00 0.00 O ATOM 693 CB VAL A 48 -11.721 1.978 15.649 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.195 3.109 16.549 1.00 0.00 C ATOM 695 CG2 VAL A 48 -12.875 1.057 15.284 1.00 0.00 C ATOM 0 H VAL A 48 -10.316 0.597 14.120 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.834 2.847 13.677 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.981 1.395 16.197 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.661 2.692 17.442 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.344 3.725 16.838 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.921 3.721 16.013 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.332 0.668 16.194 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.619 1.614 14.714 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.503 0.228 14.682 1.00 0.00 H new ATOM 705 N GLY A 49 -10.743 4.943 14.490 1.00 0.00 N ATOM 706 CA GLY A 49 -10.024 6.162 14.807 1.00 0.00 C ATOM 707 C GLY A 49 -8.922 6.461 13.811 1.00 0.00 C ATOM 708 O GLY A 49 -7.979 7.190 14.118 1.00 0.00 O ATOM 0 H GLY A 49 -11.658 5.084 14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.724 6.997 14.831 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.594 6.077 15.805 1.00 0.00 H new ATOM 712 N MET A 50 -9.039 5.895 12.614 1.00 0.00 N ATOM 713 CA MET A 50 -8.043 6.105 11.569 1.00 0.00 C ATOM 714 C MET A 50 -8.598 6.992 10.460 1.00 0.00 C ATOM 715 O MET A 50 -9.809 7.051 10.246 1.00 0.00 O ATOM 716 CB MET A 50 -7.593 4.763 10.987 1.00 0.00 C ATOM 717 CG MET A 50 -6.638 4.900 9.813 1.00 0.00 C ATOM 718 SD MET A 50 -5.985 3.313 9.260 1.00 0.00 S ATOM 719 CE MET A 50 -4.361 3.333 10.017 1.00 0.00 C ATOM 0 H MET A 50 -9.813 5.288 12.344 1.00 0.00 H new ATOM 0 HA MET A 50 -7.184 6.606 12.016 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.111 4.180 11.771 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.471 4.202 10.667 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.154 5.385 8.984 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.810 5.550 10.097 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.133 2.344 10.416 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.615 3.604 9.270 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.346 4.063 10.826 1.00 0.00 H new ATOM 729 N ASP A 51 -7.706 7.682 9.758 1.00 0.00 N ATOM 730 CA ASP A 51 -8.106 8.567 8.670 1.00 0.00 C ATOM 731 C ASP A 51 -8.311 7.781 7.378 1.00 0.00 C ATOM 732 O ASP A 51 -7.715 6.722 7.183 1.00 0.00 O ATOM 733 CB ASP A 51 -7.055 9.657 8.458 1.00 0.00 C ATOM 734 CG ASP A 51 -6.298 9.987 9.729 1.00 0.00 C ATOM 735 OD1 ASP A 51 -5.303 9.293 10.025 1.00 0.00 O ATOM 736 OD2 ASP A 51 -6.701 10.940 10.428 1.00 0.00 O ATOM 0 H ASP A 51 -6.700 7.646 9.923 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.052 9.035 8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.350 9.334 7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.541 10.558 8.084 1.00 0.00 H new ATOM 741 N SER A 52 -9.157 8.308 6.499 1.00 0.00 N ATOM 742 CA SER A 52 -9.444 7.654 5.228 1.00 0.00 C ATOM 743 C SER A 52 -8.238 7.725 4.296 1.00 0.00 C ATOM 744 O SER A 52 -8.140 6.967 3.331 1.00 0.00 O ATOM 745 CB SER A 52 -10.658 8.301 4.559 1.00 0.00 C ATOM 746 OG SER A 52 -11.035 7.594 3.391 1.00 0.00 O ATOM 0 H SER A 52 -9.656 9.186 6.644 1.00 0.00 H new ATOM 0 HA SER A 52 -9.665 6.606 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.493 8.324 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.428 9.335 4.303 1.00 0.00 H new ATOM 0 HG SER A 52 -11.814 8.027 2.984 1.00 0.00 H new ATOM 752 N ASP A 53 -7.323 8.640 4.593 1.00 0.00 N ATOM 753 CA ASP A 53 -6.122 8.811 3.783 1.00 0.00 C ATOM 754 C ASP A 53 -4.956 8.018 4.366 1.00 0.00 C ATOM 755 O ASP A 53 -3.801 8.235 4.000 1.00 0.00 O ATOM 756 CB ASP A 53 -5.751 10.292 3.689 1.00 0.00 C ATOM 757 CG ASP A 53 -6.915 11.153 3.242 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.590 10.777 2.260 1.00 0.00 O ATOM 759 OD2 ASP A 53 -7.153 12.203 3.874 1.00 0.00 O ATOM 0 H ASP A 53 -7.389 9.275 5.388 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.331 8.433 2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.399 10.638 4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.924 10.413 2.989 1.00 0.00 H new ATOM 764 N TRP A 54 -5.268 7.100 5.274 1.00 0.00 N ATOM 765 CA TRP A 54 -4.246 6.275 5.908 1.00 0.00 C ATOM 766 C TRP A 54 -4.810 4.915 6.301 1.00 0.00 C ATOM 767 O TRP A 54 -5.877 4.827 6.910 1.00 0.00 O ATOM 768 CB TRP A 54 -3.683 6.983 7.142 1.00 0.00 C ATOM 769 CG TRP A 54 -2.888 8.211 6.812 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.365 9.483 6.675 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.478 8.280 6.576 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.335 10.340 6.368 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.168 9.627 6.302 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.447 7.337 6.571 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.130 10.050 6.026 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.840 7.759 6.296 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.120 9.105 6.028 1.00 0.00 C ATOM 0 H TRP A 54 -6.220 6.908 5.587 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.442 6.120 5.188 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.506 7.258 7.801 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.051 6.287 7.694 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.399 9.773 6.791 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.425 11.344 6.214 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.652 6.297 6.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.348 11.087 5.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.644 7.038 6.288 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.137 9.403 5.819 1.00 0.00 H new ATOM 788 N LEU A 55 -4.090 3.856 5.949 1.00 0.00 N ATOM 789 CA LEU A 55 -4.519 2.498 6.265 1.00 0.00 C ATOM 790 C LEU A 55 -3.491 1.792 7.144 1.00 0.00 C ATOM 791 O LEU A 55 -2.378 2.283 7.329 1.00 0.00 O ATOM 792 CB LEU A 55 -4.743 1.700 4.980 1.00 0.00 C ATOM 793 CG LEU A 55 -6.148 1.771 4.381 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.142 1.272 2.944 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.127 0.965 5.223 1.00 0.00 C ATOM 0 H LEU A 55 -3.205 3.911 5.444 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.458 2.559 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.032 2.049 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.507 0.655 5.180 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.470 2.812 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.150 1.330 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.472 1.890 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.799 0.238 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.122 1.026 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.808 -0.077 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.153 1.367 6.236 1.00 0.00 H new ATOM 807 N MET A 56 -3.872 0.638 7.680 1.00 0.00 N ATOM 808 CA MET A 56 -2.982 -0.138 8.536 1.00 0.00 C ATOM 809 C MET A 56 -2.136 -1.101 7.710 1.00 0.00 C ATOM 810 O MET A 56 -2.605 -2.165 7.306 1.00 0.00 O ATOM 811 CB MET A 56 -3.789 -0.914 9.578 1.00 0.00 C ATOM 812 CG MET A 56 -3.074 -1.067 10.910 1.00 0.00 C ATOM 813 SD MET A 56 -1.303 -1.348 10.720 1.00 0.00 S ATOM 814 CE MET A 56 -0.640 -0.057 11.770 1.00 0.00 C ATOM 0 H MET A 56 -4.791 0.219 7.537 1.00 0.00 H new ATOM 0 HA MET A 56 -2.315 0.556 9.048 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.739 -0.406 9.741 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.020 -1.903 9.183 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.233 -0.170 11.509 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.513 -1.899 11.460 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.403 -0.275 12.001 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.704 0.901 11.254 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.214 -0.010 12.695 1.00 0.00 H new ATOM 824 N GLY A 57 -0.886 -0.722 7.461 1.00 0.00 N ATOM 825 CA GLY A 57 0.004 -1.564 6.684 1.00 0.00 C ATOM 826 C GLY A 57 0.774 -2.544 7.546 1.00 0.00 C ATOM 827 O GLY A 57 1.178 -2.216 8.661 1.00 0.00 O ATOM 0 H GLY A 57 -0.474 0.154 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.576 -2.114 5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.707 -0.936 6.136 1.00 0.00 H new ATOM 831 N GLU A 58 0.977 -3.752 7.028 1.00 0.00 N ATOM 832 CA GLU A 58 1.702 -4.784 7.760 1.00 0.00 C ATOM 833 C GLU A 58 2.746 -5.452 6.870 1.00 0.00 C ATOM 834 O GLU A 58 2.408 -6.192 5.947 1.00 0.00 O ATOM 835 CB GLU A 58 0.730 -5.835 8.301 1.00 0.00 C ATOM 836 CG GLU A 58 1.365 -6.800 9.289 1.00 0.00 C ATOM 837 CD GLU A 58 0.531 -8.049 9.502 1.00 0.00 C ATOM 838 OE1 GLU A 58 0.427 -8.861 8.559 1.00 0.00 O ATOM 839 OE2 GLU A 58 -0.016 -8.213 10.612 1.00 0.00 O ATOM 0 H GLU A 58 0.650 -4.039 6.106 1.00 0.00 H new ATOM 0 HA GLU A 58 2.214 -4.308 8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.106 -5.330 8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.319 -6.402 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.354 -7.085 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.507 -6.295 10.244 1.00 0.00 H new ATOM 846 N ARG A 59 4.016 -5.183 7.154 1.00 0.00 N ATOM 847 CA ARG A 59 5.110 -5.755 6.378 1.00 0.00 C ATOM 848 C ARG A 59 5.948 -6.700 7.235 1.00 0.00 C ATOM 849 O ARG A 59 6.790 -6.262 8.018 1.00 0.00 O ATOM 850 CB ARG A 59 5.995 -4.645 5.809 1.00 0.00 C ATOM 851 CG ARG A 59 6.655 -5.008 4.488 1.00 0.00 C ATOM 852 CD ARG A 59 7.499 -3.862 3.953 1.00 0.00 C ATOM 853 NE ARG A 59 8.620 -3.550 4.835 1.00 0.00 N ATOM 854 CZ ARG A 59 9.347 -2.442 4.736 1.00 0.00 C ATOM 855 NH1 ARG A 59 9.071 -1.546 3.799 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.352 -2.229 5.576 1.00 0.00 N ATOM 0 H ARG A 59 4.313 -4.573 7.915 1.00 0.00 H new ATOM 0 HA ARG A 59 4.679 -6.324 5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.393 -3.747 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.769 -4.400 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.281 -5.890 4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.890 -5.269 3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.877 -4.121 2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.874 -2.977 3.834 1.00 0.00 H new ATOM 0 HE ARG A 59 8.858 -4.219 5.567 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.299 -1.706 3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.631 -0.696 3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.567 -2.916 6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.909 -1.378 5.499 1.00 0.00 H new ATOM 870 N GLY A 60 5.710 -7.999 7.080 1.00 0.00 N ATOM 871 CA GLY A 60 6.450 -8.985 7.846 1.00 0.00 C ATOM 872 C GLY A 60 6.206 -8.863 9.337 1.00 0.00 C ATOM 873 O GLY A 60 5.227 -9.397 9.858 1.00 0.00 O ATOM 0 H GLY A 60 5.018 -8.386 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.167 -9.984 7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.515 -8.872 7.645 1.00 0.00 H new ATOM 877 N ASN A 61 7.098 -8.160 10.026 1.00 0.00 N ATOM 878 CA ASN A 61 6.976 -7.972 11.467 1.00 0.00 C ATOM 879 C ASN A 61 6.937 -6.489 11.821 1.00 0.00 C ATOM 880 O ASN A 61 7.533 -6.061 12.809 1.00 0.00 O ATOM 881 CB ASN A 61 8.140 -8.650 12.192 1.00 0.00 C ATOM 882 CG ASN A 61 7.778 -9.068 13.604 1.00 0.00 C ATOM 883 OD1 ASN A 61 7.452 -8.232 14.447 1.00 0.00 O ATOM 884 ND2 ASN A 61 7.834 -10.369 13.868 1.00 0.00 N ATOM 0 H ASN A 61 7.914 -7.711 9.610 1.00 0.00 H new ATOM 0 HA ASN A 61 6.040 -8.429 11.789 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.455 -9.527 11.626 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.990 -7.969 12.225 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.601 -10.711 14.801 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.109 -11.026 13.138 1.00 0.00 H new ATOM 891 N GLN A 62 6.230 -5.710 11.008 1.00 0.00 N ATOM 892 CA GLN A 62 6.114 -4.275 11.235 1.00 0.00 C ATOM 893 C GLN A 62 4.733 -3.770 10.830 1.00 0.00 C ATOM 894 O GLN A 62 4.158 -4.228 9.842 1.00 0.00 O ATOM 895 CB GLN A 62 7.194 -3.524 10.454 1.00 0.00 C ATOM 896 CG GLN A 62 8.606 -3.822 10.931 1.00 0.00 C ATOM 897 CD GLN A 62 9.662 -3.121 10.099 1.00 0.00 C ATOM 898 OE1 GLN A 62 9.345 -2.373 9.174 1.00 0.00 O ATOM 899 NE2 GLN A 62 10.927 -3.361 10.424 1.00 0.00 N ATOM 0 H GLN A 62 5.729 -6.049 10.187 1.00 0.00 H new ATOM 0 HA GLN A 62 6.251 -4.089 12.300 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.114 -3.783 9.398 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.010 -2.453 10.535 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.706 -3.515 11.972 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.777 -4.898 10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.144 -3.988 11.198 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.681 -2.918 9.899 1.00 0.00 H new ATOM 908 N LYS A 63 4.205 -2.823 11.598 1.00 0.00 N ATOM 909 CA LYS A 63 2.892 -2.254 11.320 1.00 0.00 C ATOM 910 C LYS A 63 2.919 -0.734 11.446 1.00 0.00 C ATOM 911 O LYS A 63 3.625 -0.185 12.291 1.00 0.00 O ATOM 912 CB LYS A 63 1.848 -2.837 12.274 1.00 0.00 C ATOM 913 CG LYS A 63 1.259 -4.155 11.801 1.00 0.00 C ATOM 914 CD LYS A 63 0.397 -4.799 12.874 1.00 0.00 C ATOM 915 CE LYS A 63 -0.712 -3.864 13.333 1.00 0.00 C ATOM 916 NZ LYS A 63 -0.272 -2.989 14.454 1.00 0.00 N ATOM 0 H LYS A 63 4.667 -2.433 12.419 1.00 0.00 H new ATOM 0 HA LYS A 63 2.623 -2.511 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.304 -2.983 13.253 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.042 -2.114 12.403 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.661 -3.986 10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.064 -4.835 11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.039 -5.720 12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.019 -5.073 13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.036 -3.246 12.496 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.575 -4.451 13.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.885 -3.148 15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.712 -3.214 14.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.336 -1.993 14.162 1.00 0.00 H new ATOM 930 N GLY A 64 2.145 -0.060 10.601 1.00 0.00 N ATOM 931 CA GLY A 64 2.094 1.390 10.637 1.00 0.00 C ATOM 932 C GLY A 64 1.052 1.957 9.694 1.00 0.00 C ATOM 933 O GLY A 64 0.404 1.216 8.953 1.00 0.00 O ATOM 0 H GLY A 64 1.552 -0.492 9.892 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.876 1.718 11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.073 1.792 10.376 1.00 0.00 H new ATOM 937 N LYS A 65 0.887 3.275 9.720 1.00 0.00 N ATOM 938 CA LYS A 65 -0.085 3.942 8.862 1.00 0.00 C ATOM 939 C LYS A 65 0.497 4.193 7.475 1.00 0.00 C ATOM 940 O LYS A 65 1.576 4.771 7.338 1.00 0.00 O ATOM 941 CB LYS A 65 -0.525 5.267 9.490 1.00 0.00 C ATOM 942 CG LYS A 65 -1.418 5.096 10.707 1.00 0.00 C ATOM 943 CD LYS A 65 -2.355 6.279 10.881 1.00 0.00 C ATOM 944 CE LYS A 65 -1.589 7.590 10.966 1.00 0.00 C ATOM 945 NZ LYS A 65 -2.351 8.631 11.711 1.00 0.00 N ATOM 0 H LYS A 65 1.414 3.903 10.327 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.952 3.289 8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.360 5.836 9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.054 5.856 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.001 4.181 10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.802 4.985 11.599 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.053 6.318 10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.949 6.144 11.785 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.631 7.420 11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.372 7.949 9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.795 9.509 11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.254 8.812 11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.537 8.299 12.679 1.00 0.00 H new ATOM 959 N VAL A 66 -0.225 3.757 6.447 1.00 0.00 N ATOM 960 CA VAL A 66 0.218 3.937 5.070 1.00 0.00 C ATOM 961 C VAL A 66 -0.740 4.836 4.297 1.00 0.00 C ATOM 962 O VAL A 66 -1.961 4.711 4.392 1.00 0.00 O ATOM 963 CB VAL A 66 0.340 2.587 4.339 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.379 1.705 5.015 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.009 1.888 4.283 1.00 0.00 C ATOM 0 H VAL A 66 -1.120 3.276 6.542 1.00 0.00 H new ATOM 0 HA VAL A 66 1.200 4.409 5.113 1.00 0.00 H new ATOM 0 HB VAL A 66 0.668 2.776 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.451 0.756 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.347 2.205 4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.084 1.522 6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.904 0.936 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.369 1.710 5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.722 2.516 3.749 1.00 0.00 H new ATOM 975 N PRO A 67 -0.176 5.767 3.513 1.00 0.00 N ATOM 976 CA PRO A 67 -0.962 6.705 2.707 1.00 0.00 C ATOM 977 C PRO A 67 -1.674 6.018 1.547 1.00 0.00 C ATOM 978 O PRO A 67 -1.036 5.408 0.689 1.00 0.00 O ATOM 979 CB PRO A 67 0.088 7.689 2.183 1.00 0.00 C ATOM 980 CG PRO A 67 1.363 6.918 2.186 1.00 0.00 C ATOM 981 CD PRO A 67 1.273 5.973 3.352 1.00 0.00 C ATOM 0 HA PRO A 67 -1.755 7.176 3.288 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.161 8.038 1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.157 8.571 2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.491 6.373 1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.221 7.583 2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.792 5.036 3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.721 6.399 4.250 1.00 0.00 H new ATOM 989 N ILE A 68 -2.998 6.121 1.527 1.00 0.00 N ATOM 990 CA ILE A 68 -3.796 5.511 0.471 1.00 0.00 C ATOM 991 C ILE A 68 -3.452 6.105 -0.891 1.00 0.00 C ATOM 992 O ILE A 68 -3.531 5.426 -1.915 1.00 0.00 O ATOM 993 CB ILE A 68 -5.304 5.688 0.730 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.788 4.673 1.767 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.085 5.542 -0.567 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.616 5.139 3.196 1.00 0.00 C ATOM 0 H ILE A 68 -3.541 6.621 2.230 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.559 4.447 0.471 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.475 6.690 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.841 4.457 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.244 3.739 1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.149 5.670 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.756 6.300 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.911 4.551 -0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.980 4.369 3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.561 5.327 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.183 6.057 3.350 1.00 0.00 H new ATOM 1008 N THR A 69 -3.069 7.378 -0.895 1.00 0.00 N ATOM 1009 CA THR A 69 -2.712 8.064 -2.130 1.00 0.00 C ATOM 1010 C THR A 69 -1.564 7.357 -2.841 1.00 0.00 C ATOM 1011 O THR A 69 -1.399 7.484 -4.054 1.00 0.00 O ATOM 1012 CB THR A 69 -2.312 9.528 -1.864 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.429 9.598 -0.740 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.541 10.386 -1.604 1.00 0.00 C ATOM 0 H THR A 69 -2.998 7.955 -0.057 1.00 0.00 H new ATOM 0 HA THR A 69 -3.596 8.046 -2.768 1.00 0.00 H new ATOM 0 HB THR A 69 -1.803 9.909 -2.749 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.178 10.532 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.234 11.415 -1.419 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.198 10.354 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.074 10.004 -0.733 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.773 6.610 -2.078 1.00 0.00 N ATOM 1023 CA TYR A 70 0.361 5.883 -2.635 1.00 0.00 C ATOM 1024 C TYR A 70 -0.014 4.435 -2.936 1.00 0.00 C ATOM 1025 O TYR A 70 0.712 3.724 -3.632 1.00 0.00 O ATOM 1026 CB TYR A 70 1.545 5.925 -1.668 1.00 0.00 C ATOM 1027 CG TYR A 70 2.237 7.268 -1.614 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.563 8.402 -1.179 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.565 7.403 -1.999 1.00 0.00 C ATOM 1030 CE1 TYR A 70 2.191 9.631 -1.129 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.202 8.628 -1.952 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.511 9.739 -1.517 1.00 0.00 C ATOM 1033 OH TYR A 70 4.140 10.962 -1.468 1.00 0.00 O ATOM 0 H TYR A 70 -0.897 6.492 -1.072 1.00 0.00 H new ATOM 0 HA TYR A 70 0.646 6.366 -3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.196 5.665 -0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.269 5.164 -1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.530 8.321 -0.875 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.109 6.535 -2.341 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.652 10.503 -0.788 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.235 8.715 -2.254 1.00 0.00 H new ATOM 0 HH TYR A 70 5.066 10.866 -1.773 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.154 4.005 -2.406 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.628 2.641 -2.617 1.00 0.00 C ATOM 1045 C LEU A 71 -2.787 2.615 -3.609 1.00 0.00 C ATOM 1046 O LEU A 71 -3.514 3.597 -3.754 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.066 2.021 -1.289 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.165 2.307 -0.087 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.968 2.262 1.204 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.013 1.313 -0.035 1.00 0.00 C ATOM 0 H LEU A 71 -1.767 4.580 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.806 2.057 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.070 2.377 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.133 0.941 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.750 3.309 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.311 2.468 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.758 3.012 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.412 1.274 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.618 1.532 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.409 0.301 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.578 1.393 -0.947 1.00 0.00 H new ATOM 1062 N GLU A 72 -2.953 1.485 -4.288 1.00 0.00 N ATOM 1063 CA GLU A 72 -4.024 1.331 -5.266 1.00 0.00 C ATOM 1064 C GLU A 72 -4.774 0.020 -5.049 1.00 0.00 C ATOM 1065 O GLU A 72 -4.480 -0.990 -5.691 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.459 1.380 -6.687 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.440 0.910 -7.748 1.00 0.00 C ATOM 1068 CD GLU A 72 -4.114 1.455 -9.125 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -3.194 0.915 -9.775 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -4.779 2.422 -9.553 1.00 0.00 O ATOM 0 H GLU A 72 -2.360 0.662 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.724 2.156 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.154 2.402 -6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.562 0.762 -6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.438 -0.179 -7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.447 1.218 -7.468 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.743 0.042 -4.141 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.536 -1.144 -3.838 1.00 0.00 C ATOM 1079 C LEU A 73 -6.963 -1.855 -5.119 1.00 0.00 C ATOM 1080 O LEU A 73 -7.764 -1.331 -5.894 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.769 -0.762 -3.018 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.515 0.123 -1.797 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -8.751 0.179 -0.912 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.316 -0.385 -1.010 1.00 0.00 C ATOM 0 H LEU A 73 -5.999 0.869 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.917 -1.826 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.472 -0.249 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.256 -1.678 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.295 1.133 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.552 0.813 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.586 0.590 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.002 -0.826 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.150 0.257 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.507 -1.404 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.431 -0.372 -1.646 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.425 -3.050 -5.333 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.752 -3.835 -6.519 1.00 0.00 C ATOM 1098 C LEU A 74 -8.119 -4.496 -6.374 1.00 0.00 C ATOM 1099 O LEU A 74 -8.249 -5.542 -5.740 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.680 -4.899 -6.761 1.00 0.00 C ATOM 1101 CG LEU A 74 -4.235 -4.465 -6.517 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -3.389 -5.648 -6.074 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.650 -3.829 -7.770 1.00 0.00 C ATOM 0 H LEU A 74 -5.761 -3.497 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.785 -3.160 -7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.894 -5.754 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.765 -5.244 -7.791 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.230 -3.722 -5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.364 -5.319 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.795 -6.060 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.401 -6.415 -6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.621 -3.526 -7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.669 -4.550 -8.587 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.240 -2.955 -8.044 1.00 0.00 H new ATOM 1115 N ASN A 75 -9.135 -3.879 -6.969 1.00 0.00 N ATOM 1116 CA ASN A 75 -10.492 -4.409 -6.907 1.00 0.00 C ATOM 1117 C ASN A 75 -11.260 -4.088 -8.186 1.00 0.00 C ATOM 1118 O ASN A 75 -10.860 -3.219 -8.961 1.00 0.00 O ATOM 1119 CB ASN A 75 -11.232 -3.835 -5.697 1.00 0.00 C ATOM 1120 CG ASN A 75 -10.875 -4.550 -4.409 1.00 0.00 C ATOM 1121 OD1 ASN A 75 -9.953 -4.149 -3.698 1.00 0.00 O ATOM 1122 ND2 ASN A 75 -11.605 -5.616 -4.102 1.00 0.00 N ATOM 0 H ASN A 75 -9.044 -3.012 -7.499 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.428 -5.492 -6.804 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.995 -2.776 -5.599 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.307 -3.907 -5.864 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.411 -6.138 -3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.360 -5.913 -4.721 1.00 0.00 H new ATOM 1129 N SER A 76 -12.364 -4.796 -8.400 1.00 0.00 N ATOM 1130 CA SER A 76 -13.187 -4.589 -9.587 1.00 0.00 C ATOM 1131 C SER A 76 -14.410 -3.739 -9.258 1.00 0.00 C ATOM 1132 O SER A 76 -15.404 -4.238 -8.733 1.00 0.00 O ATOM 1133 CB SER A 76 -13.627 -5.933 -10.169 1.00 0.00 C ATOM 1134 OG SER A 76 -12.514 -6.781 -10.392 1.00 0.00 O ATOM 0 H SER A 76 -12.710 -5.518 -7.768 1.00 0.00 H new ATOM 0 HA SER A 76 -12.587 -4.060 -10.327 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.326 -6.417 -9.487 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.158 -5.770 -11.107 1.00 0.00 H new ATOM 0 HG SER A 76 -12.822 -7.634 -10.763 1.00 0.00 H new ATOM 1140 N GLY A 77 -14.329 -2.449 -9.571 1.00 0.00 N ATOM 1141 CA GLY A 77 -15.435 -1.549 -9.302 1.00 0.00 C ATOM 1142 C GLY A 77 -16.068 -1.013 -10.571 1.00 0.00 C ATOM 1143 O GLY A 77 -15.568 -1.222 -11.676 1.00 0.00 O ATOM 0 H GLY A 77 -13.517 -2.011 -10.006 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.191 -2.072 -8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.082 -0.715 -8.696 1.00 0.00 H new ATOM 1147 N PRO A 78 -17.198 -0.306 -10.420 1.00 0.00 N ATOM 1148 CA PRO A 78 -17.926 0.274 -11.552 1.00 0.00 C ATOM 1149 C PRO A 78 -17.171 1.433 -12.194 1.00 0.00 C ATOM 1150 O PRO A 78 -16.169 1.906 -11.658 1.00 0.00 O ATOM 1151 CB PRO A 78 -19.229 0.770 -10.920 1.00 0.00 C ATOM 1152 CG PRO A 78 -18.888 1.010 -9.489 1.00 0.00 C ATOM 1153 CD PRO A 78 -17.852 -0.019 -9.132 1.00 0.00 C ATOM 0 HA PRO A 78 -18.074 -0.449 -12.354 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -19.581 1.682 -11.402 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -20.024 0.031 -11.019 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -18.502 2.019 -9.344 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -19.770 0.912 -8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -17.143 0.363 -8.398 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -18.305 -0.913 -8.703 1.00 0.00 H new ATOM 1161 N SER A 79 -17.658 1.886 -13.344 1.00 0.00 N ATOM 1162 CA SER A 79 -17.027 2.988 -14.061 1.00 0.00 C ATOM 1163 C SER A 79 -17.451 4.332 -13.474 1.00 0.00 C ATOM 1164 O SER A 79 -17.737 5.279 -14.206 1.00 0.00 O ATOM 1165 CB SER A 79 -17.388 2.932 -15.546 1.00 0.00 C ATOM 1166 OG SER A 79 -17.044 1.676 -16.107 1.00 0.00 O ATOM 0 H SER A 79 -18.488 1.507 -13.800 1.00 0.00 H new ATOM 0 HA SER A 79 -15.947 2.888 -13.953 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.456 3.109 -15.671 1.00 0.00 H new ATOM 0 HB3 SER A 79 -16.868 3.727 -16.080 1.00 0.00 H new ATOM 0 HG SER A 79 -17.286 1.664 -17.057 1.00 0.00 H new ATOM 1172 N SER A 80 -17.488 4.405 -12.147 1.00 0.00 N ATOM 1173 CA SER A 80 -17.880 5.630 -11.460 1.00 0.00 C ATOM 1174 C SER A 80 -16.657 6.365 -10.919 1.00 0.00 C ATOM 1175 O SER A 80 -15.682 5.744 -10.497 1.00 0.00 O ATOM 1176 CB SER A 80 -18.845 5.313 -10.317 1.00 0.00 C ATOM 1177 OG SER A 80 -18.233 4.479 -9.349 1.00 0.00 O ATOM 0 H SER A 80 -17.251 3.631 -11.527 1.00 0.00 H new ATOM 0 HA SER A 80 -18.382 6.276 -12.180 1.00 0.00 H new ATOM 0 HB2 SER A 80 -19.174 6.240 -9.847 1.00 0.00 H new ATOM 0 HB3 SER A 80 -19.735 4.823 -10.713 1.00 0.00 H new ATOM 0 HG SER A 80 -18.870 4.293 -8.628 1.00 0.00 H new ATOM 1183 N GLY A 81 -16.717 7.693 -10.935 1.00 0.00 N ATOM 1184 CA GLY A 81 -15.609 8.491 -10.443 1.00 0.00 C ATOM 1185 C GLY A 81 -15.750 8.836 -8.974 1.00 0.00 C ATOM 1186 O GLY A 81 -15.476 9.964 -8.565 1.00 0.00 O ATOM 0 H GLY A 81 -17.513 8.230 -11.280 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.677 7.947 -10.597 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.542 9.411 -11.024 1.00 0.00 H new TER 1190 GLY A 81