USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 736 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 49 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 51 LYS NZ :NH3+ 153:sc= -0.0496 (180deg=-1.06) USER MOD Set 2.1: A 41 SER OG : rot 148:sc= -0.905 USER MOD Set 2.2: A 69 THR OG1 : rot 89:sc= 0.288 USER MOD Single : A 17 ASN : amide:sc= -6.65! C(o=-6.6!,f=-8.1!) USER MOD Single : A 22 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.018) USER MOD Single : A 26 GLN : amide:sc= -1.25 K(o=-1.3,f=-0.084) USER MOD Single : A 29 MET CE :methyl -155:sc= -0.241 (180deg=-1.59!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.529 USER MOD Single : A 33 ASN : amide:sc= -9.88! C(o=-9.9!,f=-6.9!) USER MOD Single : A 36 SER OG : rot -81:sc= 1.14 USER MOD Single : A 37 ASN : amide:sc= -2.04! C(o=-2!,f=-5.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -84:sc= 0.992 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 84 HIS : no HD1:sc= -0.0426 X(o=-0.043,f=-0.29) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 88:sc= 0.0812 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 100 TYR OH : rot 180:sc= -0.659 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.19) USER MOD Single : A 107 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.5) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 104:sc= 0.408 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0306 X(o=-0.031,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 7 N ALA A 10 -15.340 -0.430 17.979 1.00 0.00 N ATOM 8 CA ALA A 10 -15.784 -1.027 16.674 1.00 0.00 C ATOM 9 C ALA A 10 -14.571 -1.272 15.765 1.00 0.00 C ATOM 10 O ALA A 10 -14.453 -2.332 15.182 1.00 0.00 O ATOM 11 CB ALA A 10 -16.787 -0.107 15.955 1.00 0.00 C ATOM 0 HA ALA A 10 -16.276 -1.975 16.890 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.091 -0.565 15.014 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.663 0.040 16.586 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.318 0.857 15.755 1.00 0.00 H new ATOM 17 N PRO A 11 -13.700 -0.295 15.667 1.00 0.00 N ATOM 18 CA PRO A 11 -12.470 -0.385 14.825 1.00 0.00 C ATOM 19 C PRO A 11 -11.362 -1.123 15.579 1.00 0.00 C ATOM 20 O PRO A 11 -11.043 -0.797 16.705 1.00 0.00 O ATOM 21 CB PRO A 11 -12.092 1.073 14.609 1.00 0.00 C ATOM 22 CG PRO A 11 -12.693 1.867 15.764 1.00 0.00 C ATOM 23 CD PRO A 11 -13.816 1.021 16.375 1.00 0.00 C ATOM 0 HA PRO A 11 -12.622 -0.931 13.894 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.009 1.190 14.583 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.474 1.433 13.654 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.932 2.090 16.512 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.082 2.822 15.410 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.691 0.908 17.452 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.793 1.477 16.214 1.00 0.00 H new ATOM 31 N VAL A 12 -10.771 -2.113 14.971 1.00 0.00 N ATOM 32 CA VAL A 12 -9.684 -2.865 15.659 1.00 0.00 C ATOM 33 C VAL A 12 -8.513 -3.056 14.694 1.00 0.00 C ATOM 34 O VAL A 12 -8.686 -3.003 13.495 1.00 0.00 O ATOM 35 CB VAL A 12 -10.214 -4.226 16.109 1.00 0.00 C ATOM 36 CG1 VAL A 12 -11.484 -4.030 16.941 1.00 0.00 C ATOM 37 CG2 VAL A 12 -10.533 -5.081 14.879 1.00 0.00 C ATOM 0 H VAL A 12 -10.993 -2.434 14.029 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.345 -2.307 16.531 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.459 -4.729 16.714 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.862 -5.001 17.262 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.255 -3.422 17.816 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.240 -3.527 16.338 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.911 -6.052 15.199 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.288 -4.579 14.273 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.628 -5.221 14.288 1.00 0.00 H new ATOM 47 N PRO A 13 -7.352 -3.275 15.252 1.00 0.00 N ATOM 48 CA PRO A 13 -6.095 -3.483 14.476 1.00 0.00 C ATOM 49 C PRO A 13 -6.021 -4.921 13.963 1.00 0.00 C ATOM 50 O PRO A 13 -6.572 -5.829 14.551 1.00 0.00 O ATOM 51 CB PRO A 13 -5.007 -3.213 15.507 1.00 0.00 C ATOM 52 CG PRO A 13 -5.621 -3.461 16.881 1.00 0.00 C ATOM 53 CD PRO A 13 -7.142 -3.347 16.732 1.00 0.00 C ATOM 0 HA PRO A 13 -6.013 -2.845 13.596 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.151 -3.867 15.344 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.645 -2.188 15.426 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.345 -4.448 17.252 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.251 -2.734 17.604 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.652 -4.207 17.167 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.528 -2.460 17.234 1.00 0.00 H new ATOM 61 N VAL A 14 -5.344 -5.139 12.869 1.00 0.00 N ATOM 62 CA VAL A 14 -5.242 -6.517 12.324 1.00 0.00 C ATOM 63 C VAL A 14 -3.823 -7.045 12.521 1.00 0.00 C ATOM 64 O VAL A 14 -2.852 -6.404 12.172 1.00 0.00 O ATOM 65 CB VAL A 14 -5.563 -6.502 10.844 1.00 0.00 C ATOM 66 CG1 VAL A 14 -6.060 -7.883 10.410 1.00 0.00 C ATOM 67 CG2 VAL A 14 -6.637 -5.450 10.540 1.00 0.00 C ATOM 0 H VAL A 14 -4.858 -4.421 12.331 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.948 -7.161 12.848 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.657 -6.250 10.292 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.290 -7.869 9.345 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.286 -8.626 10.604 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.958 -8.140 10.972 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.856 -5.452 9.472 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.544 -5.684 11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.275 -4.465 10.834 1.00 0.00 H new ATOM 77 N ASP A 15 -3.701 -8.213 13.081 1.00 0.00 N ATOM 78 CA ASP A 15 -2.354 -8.798 13.311 1.00 0.00 C ATOM 79 C ASP A 15 -2.202 -10.073 12.474 1.00 0.00 C ATOM 80 O ASP A 15 -2.016 -11.154 12.997 1.00 0.00 O ATOM 81 CB ASP A 15 -2.214 -9.138 14.802 1.00 0.00 C ATOM 82 CG ASP A 15 -3.435 -9.937 15.257 1.00 0.00 C ATOM 83 OD1 ASP A 15 -3.417 -11.148 15.101 1.00 0.00 O ATOM 84 OD2 ASP A 15 -4.368 -9.327 15.754 1.00 0.00 O ATOM 0 H ASP A 15 -4.482 -8.791 13.391 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.582 -8.086 13.020 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.305 -9.715 14.971 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.125 -8.223 15.388 1.00 0.00 H new ATOM 89 N GLU A 16 -2.279 -9.949 11.180 1.00 0.00 N ATOM 90 CA GLU A 16 -2.138 -11.166 10.300 1.00 0.00 C ATOM 91 C GLU A 16 -3.097 -12.260 10.777 1.00 0.00 C ATOM 92 O GLU A 16 -2.816 -13.436 10.658 1.00 0.00 O ATOM 93 CB GLU A 16 -0.700 -11.690 10.384 1.00 0.00 C ATOM 94 CG GLU A 16 -0.548 -12.904 9.466 1.00 0.00 C ATOM 95 CD GLU A 16 -0.234 -14.144 10.305 1.00 0.00 C ATOM 96 OE1 GLU A 16 0.862 -14.214 10.835 1.00 0.00 O ATOM 97 OE2 GLU A 16 -1.096 -15.002 10.405 1.00 0.00 O ATOM 0 H GLU A 16 -2.432 -9.070 10.686 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.375 -10.896 9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.001 -10.909 10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.461 -11.965 11.411 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.465 -13.060 8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.250 -12.729 8.744 1.00 0.00 H new ATOM 104 N ASN A 17 -4.229 -11.887 11.309 1.00 0.00 N ATOM 105 CA ASN A 17 -5.197 -12.914 11.784 1.00 0.00 C ATOM 106 C ASN A 17 -5.836 -13.606 10.578 1.00 0.00 C ATOM 107 O ASN A 17 -5.974 -14.813 10.542 1.00 0.00 O ATOM 108 CB ASN A 17 -6.290 -12.251 12.625 1.00 0.00 C ATOM 109 CG ASN A 17 -5.722 -11.848 13.988 1.00 0.00 C ATOM 110 OD1 ASN A 17 -5.711 -10.684 14.336 1.00 0.00 O ATOM 111 ND2 ASN A 17 -5.249 -12.772 14.780 1.00 0.00 N ATOM 0 H ASN A 17 -4.524 -10.919 11.435 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.670 -13.648 12.394 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.677 -11.373 12.108 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.126 -12.937 12.758 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.870 -12.517 15.692 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.259 -13.749 14.487 1.00 0.00 H new ATOM 118 N ASP A 18 -6.232 -12.851 9.590 1.00 0.00 N ATOM 119 CA ASP A 18 -6.863 -13.468 8.389 1.00 0.00 C ATOM 120 C ASP A 18 -5.776 -13.866 7.387 1.00 0.00 C ATOM 121 O ASP A 18 -5.082 -13.029 6.843 1.00 0.00 O ATOM 122 CB ASP A 18 -7.816 -12.459 7.746 1.00 0.00 C ATOM 123 CG ASP A 18 -8.681 -13.164 6.698 1.00 0.00 C ATOM 124 OD1 ASP A 18 -8.116 -13.804 5.827 1.00 0.00 O ATOM 125 OD2 ASP A 18 -9.893 -13.052 6.786 1.00 0.00 O ATOM 0 H ASP A 18 -6.146 -11.835 9.562 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.421 -14.357 8.683 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.449 -12.005 8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.248 -11.653 7.281 1.00 0.00 H new ATOM 130 N GLU A 19 -5.621 -15.140 7.138 1.00 0.00 N ATOM 131 CA GLU A 19 -4.571 -15.594 6.172 1.00 0.00 C ATOM 132 C GLU A 19 -4.980 -15.192 4.742 1.00 0.00 C ATOM 133 O GLU A 19 -4.150 -14.821 3.940 1.00 0.00 O ATOM 134 CB GLU A 19 -4.397 -17.125 6.286 1.00 0.00 C ATOM 135 CG GLU A 19 -4.126 -17.743 4.913 1.00 0.00 C ATOM 136 CD GLU A 19 -2.872 -17.112 4.304 1.00 0.00 C ATOM 137 OE1 GLU A 19 -1.945 -16.845 5.051 1.00 0.00 O ATOM 138 OE2 GLU A 19 -2.860 -16.906 3.101 1.00 0.00 O ATOM 0 H GLU A 19 -6.174 -15.886 7.560 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.619 -15.118 6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.573 -17.353 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.295 -17.567 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.993 -18.821 5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.981 -17.584 4.256 1.00 0.00 H new ATOM 145 N GLY A 20 -6.243 -15.270 4.417 1.00 0.00 N ATOM 146 CA GLY A 20 -6.686 -14.896 3.042 1.00 0.00 C ATOM 147 C GLY A 20 -6.370 -13.422 2.779 1.00 0.00 C ATOM 148 O GLY A 20 -6.410 -12.959 1.657 1.00 0.00 O ATOM 0 H GLY A 20 -6.987 -15.576 5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.183 -15.522 2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.756 -15.073 2.934 1.00 0.00 H new ATOM 152 N LEU A 21 -6.064 -12.679 3.806 1.00 0.00 N ATOM 153 CA LEU A 21 -5.751 -11.233 3.618 1.00 0.00 C ATOM 154 C LEU A 21 -4.490 -11.081 2.760 1.00 0.00 C ATOM 155 O LEU A 21 -4.194 -10.013 2.263 1.00 0.00 O ATOM 156 CB LEU A 21 -5.516 -10.599 4.989 1.00 0.00 C ATOM 157 CG LEU A 21 -4.909 -9.210 4.815 1.00 0.00 C ATOM 158 CD1 LEU A 21 -5.861 -8.336 3.995 1.00 0.00 C ATOM 159 CD2 LEU A 21 -4.695 -8.580 6.191 1.00 0.00 C ATOM 0 H LEU A 21 -6.017 -13.011 4.769 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.583 -10.739 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.457 -10.530 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.850 -11.226 5.581 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.954 -9.289 4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.428 -7.344 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.018 -8.789 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.816 -8.252 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.261 -7.587 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.652 -8.499 6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.019 -9.204 6.776 1.00 0.00 H new ATOM 171 N GLN A 22 -3.742 -12.138 2.587 1.00 0.00 N ATOM 172 CA GLN A 22 -2.502 -12.054 1.774 1.00 0.00 C ATOM 173 C GLN A 22 -2.853 -11.767 0.311 1.00 0.00 C ATOM 174 O GLN A 22 -1.999 -11.426 -0.484 1.00 0.00 O ATOM 175 CB GLN A 22 -1.725 -13.363 1.898 1.00 0.00 C ATOM 176 CG GLN A 22 -0.251 -13.095 1.631 1.00 0.00 C ATOM 177 CD GLN A 22 0.281 -14.121 0.628 1.00 0.00 C ATOM 178 OE1 GLN A 22 1.024 -13.782 -0.272 1.00 0.00 O ATOM 179 NE2 GLN A 22 -0.073 -15.372 0.746 1.00 0.00 N ATOM 0 H GLN A 22 -3.941 -13.059 2.977 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.878 -11.239 2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.856 -13.785 2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.108 -14.096 1.189 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.119 -12.086 1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.314 -13.153 2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.697 -15.656 1.501 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.274 -16.065 0.083 1.00 0.00 H new ATOM 188 N ARG A 23 -4.100 -11.888 -0.052 1.00 0.00 N ATOM 189 CA ARG A 23 -4.490 -11.605 -1.462 1.00 0.00 C ATOM 190 C ARG A 23 -4.841 -10.125 -1.586 1.00 0.00 C ATOM 191 O ARG A 23 -4.408 -9.447 -2.496 1.00 0.00 O ATOM 192 CB ARG A 23 -5.703 -12.462 -1.844 1.00 0.00 C ATOM 193 CG ARG A 23 -6.131 -12.135 -3.276 1.00 0.00 C ATOM 194 CD ARG A 23 -6.450 -13.433 -4.027 1.00 0.00 C ATOM 195 NE ARG A 23 -7.078 -14.408 -3.091 1.00 0.00 N ATOM 196 CZ ARG A 23 -6.848 -15.686 -3.230 1.00 0.00 C ATOM 197 NH1 ARG A 23 -7.523 -16.382 -4.105 1.00 0.00 N ATOM 198 NH2 ARG A 23 -5.943 -16.268 -2.492 1.00 0.00 N ATOM 0 H ARG A 23 -4.863 -12.169 0.564 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.664 -11.845 -2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.454 -13.520 -1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.526 -12.273 -1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.006 -11.485 -3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.337 -11.592 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.122 -13.228 -4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.538 -13.854 -4.450 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.687 -14.077 -2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.231 -15.928 -4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.342 -17.380 -4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.416 -15.725 -1.808 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.762 -17.266 -2.599 1.00 0.00 H new ATOM 212 N ALA A 24 -5.617 -9.614 -0.668 1.00 0.00 N ATOM 213 CA ALA A 24 -5.985 -8.177 -0.724 1.00 0.00 C ATOM 214 C ALA A 24 -4.710 -7.328 -0.746 1.00 0.00 C ATOM 215 O ALA A 24 -4.730 -6.166 -1.099 1.00 0.00 O ATOM 216 CB ALA A 24 -6.817 -7.816 0.507 1.00 0.00 C ATOM 0 H ALA A 24 -6.010 -10.133 0.117 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.568 -7.984 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.088 -6.761 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.723 -8.422 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.235 -8.007 1.408 1.00 0.00 H new ATOM 222 N LEU A 25 -3.600 -7.905 -0.366 1.00 0.00 N ATOM 223 CA LEU A 25 -2.322 -7.158 -0.351 1.00 0.00 C ATOM 224 C LEU A 25 -1.849 -6.922 -1.795 1.00 0.00 C ATOM 225 O LEU A 25 -1.366 -5.858 -2.130 1.00 0.00 O ATOM 226 CB LEU A 25 -1.310 -7.992 0.454 1.00 0.00 C ATOM 227 CG LEU A 25 0.123 -7.705 0.022 1.00 0.00 C ATOM 228 CD1 LEU A 25 0.392 -8.469 -1.272 1.00 0.00 C ATOM 229 CD2 LEU A 25 0.324 -6.205 -0.205 1.00 0.00 C ATOM 0 H LEU A 25 -3.531 -8.876 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.434 -6.179 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.421 -7.774 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.525 -9.052 0.322 1.00 0.00 H new ATOM 0 HG LEU A 25 0.815 -8.024 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.414 -8.279 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.260 -9.537 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.305 -8.138 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.353 -6.018 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.356 -5.861 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.119 -5.666 0.720 1.00 0.00 H new ATOM 241 N GLN A 26 -1.992 -7.898 -2.652 1.00 0.00 N ATOM 242 CA GLN A 26 -1.552 -7.720 -4.074 1.00 0.00 C ATOM 243 C GLN A 26 -2.444 -6.664 -4.757 1.00 0.00 C ATOM 244 O GLN A 26 -2.128 -6.165 -5.818 1.00 0.00 O ATOM 245 CB GLN A 26 -1.683 -9.068 -4.832 1.00 0.00 C ATOM 246 CG GLN A 26 -0.491 -10.005 -4.540 1.00 0.00 C ATOM 247 CD GLN A 26 -0.318 -11.004 -5.696 1.00 0.00 C ATOM 248 OE1 GLN A 26 0.670 -11.709 -5.753 1.00 0.00 O ATOM 249 NE2 GLN A 26 -1.235 -11.101 -6.628 1.00 0.00 N ATOM 0 H GLN A 26 -2.393 -8.810 -2.433 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.513 -7.391 -4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.612 -9.560 -4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.743 -8.879 -5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.420 -9.420 -4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.658 -10.541 -3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.067 -10.513 -6.588 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.116 -11.765 -7.393 1.00 0.00 H new ATOM 258 N PHE A 27 -3.548 -6.325 -4.151 1.00 0.00 N ATOM 259 CA PHE A 27 -4.468 -5.298 -4.752 1.00 0.00 C ATOM 260 C PHE A 27 -3.881 -3.909 -4.562 1.00 0.00 C ATOM 261 O PHE A 27 -3.920 -3.072 -5.442 1.00 0.00 O ATOM 262 CB PHE A 27 -5.808 -5.327 -4.029 1.00 0.00 C ATOM 263 CG PHE A 27 -6.959 -5.156 -4.997 1.00 0.00 C ATOM 264 CD1 PHE A 27 -6.792 -4.404 -6.170 1.00 0.00 C ATOM 265 CD2 PHE A 27 -8.211 -5.712 -4.698 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.876 -4.203 -7.031 1.00 0.00 C ATOM 267 CE2 PHE A 27 -9.290 -5.520 -5.570 1.00 0.00 C ATOM 268 CZ PHE A 27 -9.121 -4.761 -6.731 1.00 0.00 C ATOM 0 H PHE A 27 -3.860 -6.713 -3.261 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.593 -5.523 -5.811 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.916 -6.272 -3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.838 -4.534 -3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.827 -3.981 -6.408 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.343 -6.289 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.750 -3.616 -7.929 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.251 -5.958 -5.345 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.956 -4.605 -7.399 1.00 0.00 H new ATOM 278 N ALA A 28 -3.374 -3.655 -3.399 1.00 0.00 N ATOM 279 CA ALA A 28 -2.815 -2.307 -3.099 1.00 0.00 C ATOM 280 C ALA A 28 -1.499 -2.072 -3.848 1.00 0.00 C ATOM 281 O ALA A 28 -1.319 -1.059 -4.495 1.00 0.00 O ATOM 282 CB ALA A 28 -2.571 -2.202 -1.597 1.00 0.00 C ATOM 0 H ALA A 28 -3.319 -4.325 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.528 -1.550 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.161 -1.219 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.512 -2.339 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.865 -2.973 -1.288 1.00 0.00 H new ATOM 288 N MET A 29 -0.571 -2.980 -3.751 1.00 0.00 N ATOM 289 CA MET A 29 0.737 -2.781 -4.442 1.00 0.00 C ATOM 290 C MET A 29 0.522 -2.571 -5.942 1.00 0.00 C ATOM 291 O MET A 29 0.959 -1.588 -6.499 1.00 0.00 O ATOM 292 CB MET A 29 1.624 -4.007 -4.221 1.00 0.00 C ATOM 293 CG MET A 29 1.659 -4.340 -2.730 1.00 0.00 C ATOM 294 SD MET A 29 2.143 -2.869 -1.792 1.00 0.00 S ATOM 295 CE MET A 29 3.710 -2.563 -2.642 1.00 0.00 C ATOM 0 H MET A 29 -0.658 -3.850 -3.225 1.00 0.00 H new ATOM 0 HA MET A 29 1.221 -1.896 -4.028 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.239 -4.856 -4.786 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.632 -3.812 -4.586 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.680 -4.688 -2.401 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.364 -5.151 -2.544 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.380 -2.010 -1.983 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.170 -3.514 -2.911 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.527 -1.980 -3.545 1.00 0.00 H new ATOM 305 N ALA A 30 -0.137 -3.483 -6.599 1.00 0.00 N ATOM 306 CA ALA A 30 -0.363 -3.333 -8.069 1.00 0.00 C ATOM 307 C ALA A 30 -0.993 -1.976 -8.372 1.00 0.00 C ATOM 308 O ALA A 30 -0.474 -1.204 -9.152 1.00 0.00 O ATOM 309 CB ALA A 30 -1.298 -4.445 -8.547 1.00 0.00 C ATOM 0 H ALA A 30 -0.531 -4.328 -6.184 1.00 0.00 H new ATOM 0 HA ALA A 30 0.594 -3.400 -8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.468 -4.342 -9.619 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.844 -5.415 -8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.250 -4.372 -8.020 1.00 0.00 H new ATOM 315 N GLU A 31 -2.110 -1.671 -7.773 1.00 0.00 N ATOM 316 CA GLU A 31 -2.746 -0.356 -8.054 1.00 0.00 C ATOM 317 C GLU A 31 -1.684 0.731 -7.954 1.00 0.00 C ATOM 318 O GLU A 31 -1.686 1.677 -8.705 1.00 0.00 O ATOM 319 CB GLU A 31 -3.865 -0.078 -7.047 1.00 0.00 C ATOM 320 CG GLU A 31 -4.907 -1.196 -7.119 1.00 0.00 C ATOM 321 CD GLU A 31 -6.080 -0.745 -7.993 1.00 0.00 C ATOM 322 OE1 GLU A 31 -5.831 -0.303 -9.102 1.00 0.00 O ATOM 323 OE2 GLU A 31 -7.207 -0.851 -7.538 1.00 0.00 O ATOM 0 H GLU A 31 -2.604 -2.267 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.178 -0.368 -9.055 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.454 -0.014 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.332 0.883 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.458 -2.100 -7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.260 -1.444 -6.118 1.00 0.00 H new ATOM 330 N TYR A 32 -0.768 0.594 -7.038 1.00 0.00 N ATOM 331 CA TYR A 32 0.311 1.629 -6.908 1.00 0.00 C ATOM 332 C TYR A 32 1.201 1.577 -8.153 1.00 0.00 C ATOM 333 O TYR A 32 1.614 2.588 -8.681 1.00 0.00 O ATOM 334 CB TYR A 32 1.167 1.364 -5.658 1.00 0.00 C ATOM 335 CG TYR A 32 2.101 2.534 -5.429 1.00 0.00 C ATOM 336 CD1 TYR A 32 1.593 3.836 -5.348 1.00 0.00 C ATOM 337 CD2 TYR A 32 3.481 2.315 -5.298 1.00 0.00 C ATOM 338 CE1 TYR A 32 2.460 4.916 -5.136 1.00 0.00 C ATOM 339 CE2 TYR A 32 4.346 3.395 -5.085 1.00 0.00 C ATOM 340 CZ TYR A 32 3.835 4.695 -5.005 1.00 0.00 C ATOM 341 OH TYR A 32 4.688 5.760 -4.797 1.00 0.00 O ATOM 0 H TYR A 32 -0.714 -0.180 -6.376 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.149 2.613 -6.813 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.526 1.221 -4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.741 0.446 -5.785 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.532 4.008 -5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.876 1.312 -5.362 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.066 5.920 -5.074 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.408 3.225 -4.982 1.00 0.00 H new ATOM 0 HH TYR A 32 5.609 5.433 -4.727 1.00 0.00 H new ATOM 351 N ASN A 33 1.507 0.395 -8.609 1.00 0.00 N ATOM 352 CA ASN A 33 2.386 0.249 -9.811 1.00 0.00 C ATOM 353 C ASN A 33 1.905 1.168 -10.941 1.00 0.00 C ATOM 354 O ASN A 33 2.664 1.948 -11.479 1.00 0.00 O ATOM 355 CB ASN A 33 2.386 -1.208 -10.331 1.00 0.00 C ATOM 356 CG ASN A 33 2.509 -2.212 -9.182 1.00 0.00 C ATOM 357 OD1 ASN A 33 2.354 -3.399 -9.391 1.00 0.00 O ATOM 358 ND2 ASN A 33 2.850 -1.804 -7.990 1.00 0.00 N ATOM 0 H ASN A 33 1.186 -0.483 -8.201 1.00 0.00 H new ATOM 0 HA ASN A 33 3.397 0.524 -9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.467 -1.398 -10.885 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.213 -1.347 -11.028 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.985 -2.481 -7.239 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.981 -0.809 -7.810 1.00 0.00 H new ATOM 365 N ARG A 34 0.664 1.062 -11.331 1.00 0.00 N ATOM 366 CA ARG A 34 0.160 1.914 -12.453 1.00 0.00 C ATOM 367 C ARG A 34 -0.460 3.210 -11.929 1.00 0.00 C ATOM 368 O ARG A 34 -0.768 4.108 -12.687 1.00 0.00 O ATOM 369 CB ARG A 34 -0.878 1.132 -13.266 1.00 0.00 C ATOM 370 CG ARG A 34 -0.959 1.715 -14.677 1.00 0.00 C ATOM 371 CD ARG A 34 -2.140 1.088 -15.417 1.00 0.00 C ATOM 372 NE ARG A 34 -3.308 0.998 -14.496 1.00 0.00 N ATOM 373 CZ ARG A 34 -3.873 -0.156 -14.269 1.00 0.00 C ATOM 374 NH1 ARG A 34 -3.412 -0.933 -13.329 1.00 0.00 N ATOM 375 NH2 ARG A 34 -4.898 -0.533 -14.983 1.00 0.00 N ATOM 0 H ARG A 34 -0.022 0.426 -10.925 1.00 0.00 H new ATOM 0 HA ARG A 34 1.005 2.177 -13.090 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.603 0.078 -13.311 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.853 1.187 -12.781 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.079 2.797 -14.629 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.032 1.520 -15.217 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.396 1.688 -16.290 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.871 0.096 -15.780 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.666 1.839 -14.043 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.610 -0.639 -12.772 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.853 -1.835 -13.151 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.258 0.075 -15.719 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.339 -1.435 -14.805 1.00 0.00 H new ATOM 389 N ALA A 35 -0.684 3.302 -10.653 1.00 0.00 N ATOM 390 CA ALA A 35 -1.330 4.532 -10.104 1.00 0.00 C ATOM 391 C ALA A 35 -0.295 5.606 -9.746 1.00 0.00 C ATOM 392 O ALA A 35 -0.644 6.754 -9.561 1.00 0.00 O ATOM 393 CB ALA A 35 -2.125 4.171 -8.849 1.00 0.00 C ATOM 0 H ALA A 35 -0.451 2.586 -9.965 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.988 4.935 -10.874 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.597 5.067 -8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.892 3.439 -9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.453 3.749 -8.102 1.00 0.00 H new ATOM 399 N SER A 36 0.965 5.272 -9.627 1.00 0.00 N ATOM 400 CA SER A 36 1.949 6.326 -9.262 1.00 0.00 C ATOM 401 C SER A 36 2.506 6.986 -10.520 1.00 0.00 C ATOM 402 O SER A 36 3.254 7.941 -10.447 1.00 0.00 O ATOM 403 CB SER A 36 3.077 5.707 -8.419 1.00 0.00 C ATOM 404 OG SER A 36 3.317 4.378 -8.858 1.00 0.00 O ATOM 0 H SER A 36 1.346 4.336 -9.764 1.00 0.00 H new ATOM 0 HA SER A 36 1.454 7.096 -8.670 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.985 6.303 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.802 5.710 -7.364 1.00 0.00 H new ATOM 0 HG SER A 36 2.650 3.778 -8.464 1.00 0.00 H new ATOM 410 N ASN A 37 2.123 6.495 -11.669 1.00 0.00 N ATOM 411 CA ASN A 37 2.604 7.091 -12.960 1.00 0.00 C ATOM 412 C ASN A 37 4.057 7.581 -12.815 1.00 0.00 C ATOM 413 O ASN A 37 4.461 8.521 -13.471 1.00 0.00 O ATOM 414 CB ASN A 37 1.713 8.281 -13.327 1.00 0.00 C ATOM 415 CG ASN A 37 2.119 8.809 -14.713 1.00 0.00 C ATOM 416 OD1 ASN A 37 3.029 8.287 -15.325 1.00 0.00 O ATOM 417 ND2 ASN A 37 1.482 9.828 -15.239 1.00 0.00 N ATOM 0 H ASN A 37 1.492 5.700 -11.774 1.00 0.00 H new ATOM 0 HA ASN A 37 2.559 6.330 -13.739 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.666 7.978 -13.332 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.813 9.069 -12.581 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.752 10.179 -16.158 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.717 10.270 -14.729 1.00 0.00 H new ATOM 424 N ASP A 38 4.838 6.985 -11.945 1.00 0.00 N ATOM 425 CA ASP A 38 6.231 7.448 -11.750 1.00 0.00 C ATOM 426 C ASP A 38 7.103 7.090 -12.960 1.00 0.00 C ATOM 427 O ASP A 38 6.657 6.480 -13.910 1.00 0.00 O ATOM 428 CB ASP A 38 6.775 6.784 -10.475 1.00 0.00 C ATOM 429 CG ASP A 38 7.597 5.530 -10.809 1.00 0.00 C ATOM 430 OD1 ASP A 38 7.195 4.808 -11.707 1.00 0.00 O ATOM 431 OD2 ASP A 38 8.611 5.320 -10.164 1.00 0.00 O ATOM 0 H ASP A 38 4.560 6.195 -11.363 1.00 0.00 H new ATOM 0 HA ASP A 38 6.251 8.533 -11.649 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.396 7.494 -9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.946 6.515 -9.820 1.00 0.00 H new ATOM 436 N LYS A 39 8.352 7.459 -12.905 1.00 0.00 N ATOM 437 CA LYS A 39 9.292 7.141 -14.020 1.00 0.00 C ATOM 438 C LYS A 39 10.649 6.799 -13.391 1.00 0.00 C ATOM 439 O LYS A 39 11.684 7.238 -13.853 1.00 0.00 O ATOM 440 CB LYS A 39 9.447 8.361 -14.938 1.00 0.00 C ATOM 441 CG LYS A 39 10.244 7.961 -16.180 1.00 0.00 C ATOM 442 CD LYS A 39 10.286 9.136 -17.159 1.00 0.00 C ATOM 443 CE LYS A 39 9.034 9.114 -18.037 1.00 0.00 C ATOM 444 NZ LYS A 39 9.316 8.352 -19.288 1.00 0.00 N ATOM 0 H LYS A 39 8.767 7.973 -12.128 1.00 0.00 H new ATOM 0 HA LYS A 39 8.915 6.308 -14.613 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.467 8.740 -15.227 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.956 9.166 -14.409 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.257 7.672 -15.898 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.786 7.094 -16.656 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.343 10.077 -16.612 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.180 9.074 -17.780 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.207 8.654 -17.497 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.729 10.132 -18.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.464 8.337 -19.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.094 8.810 -19.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.587 7.377 -19.047 1.00 0.00 H new ATOM 458 N TYR A 40 10.649 6.053 -12.307 1.00 0.00 N ATOM 459 CA TYR A 40 11.915 5.726 -11.614 1.00 0.00 C ATOM 460 C TYR A 40 11.662 4.471 -10.768 1.00 0.00 C ATOM 461 O TYR A 40 10.832 3.653 -11.113 1.00 0.00 O ATOM 462 CB TYR A 40 12.263 6.932 -10.716 1.00 0.00 C ATOM 463 CG TYR A 40 12.636 8.195 -11.557 1.00 0.00 C ATOM 464 CD1 TYR A 40 13.707 8.161 -12.489 1.00 0.00 C ATOM 465 CD2 TYR A 40 11.927 9.418 -11.402 1.00 0.00 C ATOM 466 CE1 TYR A 40 14.043 9.298 -13.231 1.00 0.00 C ATOM 467 CE2 TYR A 40 12.281 10.543 -12.154 1.00 0.00 C ATOM 468 CZ TYR A 40 13.332 10.484 -13.065 1.00 0.00 C ATOM 469 OH TYR A 40 13.671 11.602 -13.801 1.00 0.00 O ATOM 0 H TYR A 40 9.812 5.659 -11.878 1.00 0.00 H new ATOM 0 HA TYR A 40 12.738 5.535 -12.302 1.00 0.00 H new ATOM 0 HB2 TYR A 40 11.414 7.162 -10.072 1.00 0.00 H new ATOM 0 HB3 TYR A 40 13.096 6.671 -10.064 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.268 7.248 -12.626 1.00 0.00 H new ATOM 0 HD2 TYR A 40 11.110 9.479 -10.699 1.00 0.00 H new ATOM 0 HE1 TYR A 40 14.859 9.256 -13.937 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.734 11.466 -12.027 1.00 0.00 H new ATOM 0 HH TYR A 40 13.075 12.343 -13.564 1.00 0.00 H new ATOM 479 N SER A 41 12.345 4.295 -9.667 1.00 0.00 N ATOM 480 CA SER A 41 12.067 3.051 -8.853 1.00 0.00 C ATOM 481 C SER A 41 11.338 3.431 -7.563 1.00 0.00 C ATOM 482 O SER A 41 11.658 4.410 -6.924 1.00 0.00 O ATOM 483 CB SER A 41 13.367 2.285 -8.510 1.00 0.00 C ATOM 484 OG SER A 41 14.382 3.206 -8.144 1.00 0.00 O ATOM 0 H SER A 41 13.058 4.925 -9.298 1.00 0.00 H new ATOM 0 HA SER A 41 11.441 2.393 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.184 1.587 -7.693 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.690 1.695 -9.368 1.00 0.00 H new ATOM 0 HG SER A 41 14.976 2.793 -7.483 1.00 0.00 H new ATOM 490 N SER A 42 10.356 2.663 -7.169 1.00 0.00 N ATOM 491 CA SER A 42 9.623 2.994 -5.919 1.00 0.00 C ATOM 492 C SER A 42 9.869 1.881 -4.890 1.00 0.00 C ATOM 493 O SER A 42 10.202 0.772 -5.251 1.00 0.00 O ATOM 494 CB SER A 42 8.124 3.092 -6.215 1.00 0.00 C ATOM 495 OG SER A 42 7.922 3.170 -7.618 1.00 0.00 O ATOM 0 H SER A 42 10.034 1.827 -7.657 1.00 0.00 H new ATOM 0 HA SER A 42 9.975 3.948 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.605 2.223 -5.810 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.703 3.971 -5.727 1.00 0.00 H new ATOM 0 HG SER A 42 6.962 3.231 -7.807 1.00 0.00 H new ATOM 501 N ARG A 43 9.709 2.148 -3.613 1.00 0.00 N ATOM 502 CA ARG A 43 9.941 1.063 -2.618 1.00 0.00 C ATOM 503 C ARG A 43 9.457 1.508 -1.235 1.00 0.00 C ATOM 504 O ARG A 43 9.738 2.606 -0.788 1.00 0.00 O ATOM 505 CB ARG A 43 11.437 0.740 -2.549 1.00 0.00 C ATOM 506 CG ARG A 43 12.247 2.009 -2.811 1.00 0.00 C ATOM 507 CD ARG A 43 13.636 1.860 -2.185 1.00 0.00 C ATOM 508 NE ARG A 43 14.416 0.846 -2.945 1.00 0.00 N ATOM 509 CZ ARG A 43 14.314 -0.419 -2.637 1.00 0.00 C ATOM 510 NH1 ARG A 43 14.833 -0.864 -1.525 1.00 0.00 N ATOM 511 NH2 ARG A 43 13.697 -1.238 -3.442 1.00 0.00 N ATOM 0 H ARG A 43 9.434 3.051 -3.228 1.00 0.00 H new ATOM 0 HA ARG A 43 9.387 0.176 -2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.687 0.333 -1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.689 -0.023 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.335 2.183 -3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.736 2.874 -2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.156 2.818 -2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.546 1.558 -1.142 1.00 0.00 H new ATOM 0 HE ARG A 43 15.030 1.139 -3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.318 -0.224 -0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.753 -1.852 -1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.294 -0.891 -4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.617 -2.226 -3.202 1.00 0.00 H new ATOM 525 N VAL A 44 8.728 0.663 -0.554 1.00 0.00 N ATOM 526 CA VAL A 44 8.228 1.010 0.781 1.00 0.00 C ATOM 527 C VAL A 44 9.354 0.862 1.802 1.00 0.00 C ATOM 528 O VAL A 44 10.228 0.029 1.663 1.00 0.00 O ATOM 529 CB VAL A 44 7.089 0.057 1.133 1.00 0.00 C ATOM 530 CG1 VAL A 44 6.103 0.790 2.009 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.367 -0.409 -0.137 1.00 0.00 C ATOM 0 H VAL A 44 8.461 -0.265 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 44 7.871 2.040 0.793 1.00 0.00 H new ATOM 0 HB VAL A 44 7.497 -0.812 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.282 0.122 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.602 1.124 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.712 1.654 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.558 -1.088 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.957 0.455 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.072 -0.926 -0.788 1.00 0.00 H new ATOM 541 N VAL A 45 9.335 1.662 2.826 1.00 0.00 N ATOM 542 CA VAL A 45 10.401 1.567 3.858 1.00 0.00 C ATOM 543 C VAL A 45 9.909 0.664 4.995 1.00 0.00 C ATOM 544 O VAL A 45 10.620 -0.199 5.471 1.00 0.00 O ATOM 545 CB VAL A 45 10.705 2.965 4.402 1.00 0.00 C ATOM 546 CG1 VAL A 45 12.079 2.962 5.077 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.703 3.971 3.245 1.00 0.00 C ATOM 0 H VAL A 45 8.628 2.378 2.994 1.00 0.00 H new ATOM 0 HA VAL A 45 11.308 1.147 3.423 1.00 0.00 H new ATOM 0 HB VAL A 45 9.945 3.247 5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.296 3.957 5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.080 2.245 5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.841 2.682 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.919 4.968 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.464 3.690 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.724 3.972 2.765 1.00 0.00 H new ATOM 557 N ARG A 46 8.690 0.859 5.425 1.00 0.00 N ATOM 558 CA ARG A 46 8.130 0.015 6.526 1.00 0.00 C ATOM 559 C ARG A 46 6.707 0.486 6.842 1.00 0.00 C ATOM 560 O ARG A 46 6.501 1.595 7.293 1.00 0.00 O ATOM 561 CB ARG A 46 9.005 0.156 7.775 1.00 0.00 C ATOM 562 CG ARG A 46 8.938 -1.135 8.597 1.00 0.00 C ATOM 563 CD ARG A 46 9.810 -2.208 7.941 1.00 0.00 C ATOM 564 NE ARG A 46 9.114 -3.523 8.008 1.00 0.00 N ATOM 565 CZ ARG A 46 9.067 -4.184 9.135 1.00 0.00 C ATOM 566 NH1 ARG A 46 9.641 -3.700 10.203 1.00 0.00 N ATOM 567 NH2 ARG A 46 8.447 -5.331 9.195 1.00 0.00 N ATOM 0 H ARG A 46 8.055 1.569 5.061 1.00 0.00 H new ATOM 0 HA ARG A 46 8.112 -1.030 6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.036 0.363 7.488 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.666 1.000 8.376 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.279 -0.948 9.615 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.907 -1.482 8.665 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.011 -1.944 6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.773 -2.268 8.447 1.00 0.00 H new ATOM 0 HE ARG A 46 8.673 -3.909 7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.127 -2.804 10.159 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.603 -4.217 11.081 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.999 -5.713 8.362 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.411 -5.846 10.075 1.00 0.00 H new ATOM 581 N VAL A 47 5.725 -0.345 6.602 1.00 0.00 N ATOM 582 CA VAL A 47 4.310 0.057 6.886 1.00 0.00 C ATOM 583 C VAL A 47 4.253 0.820 8.216 1.00 0.00 C ATOM 584 O VAL A 47 5.031 0.571 9.116 1.00 0.00 O ATOM 585 CB VAL A 47 3.415 -1.197 6.947 1.00 0.00 C ATOM 586 CG1 VAL A 47 3.391 -1.769 8.368 1.00 0.00 C ATOM 587 CG2 VAL A 47 1.995 -0.809 6.530 1.00 0.00 C ATOM 0 H VAL A 47 5.840 -1.285 6.222 1.00 0.00 H new ATOM 0 HA VAL A 47 3.947 0.706 6.089 1.00 0.00 H new ATOM 0 HB VAL A 47 3.813 -1.956 6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.755 -2.654 8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.403 -2.041 8.668 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.998 -1.020 9.055 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.351 -1.688 6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.611 -0.048 7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.009 -0.414 5.514 1.00 0.00 H new ATOM 597 N ILE A 48 3.338 1.746 8.355 1.00 0.00 N ATOM 598 CA ILE A 48 3.248 2.508 9.633 1.00 0.00 C ATOM 599 C ILE A 48 2.293 1.783 10.577 1.00 0.00 C ATOM 600 O ILE A 48 2.477 1.771 11.777 1.00 0.00 O ATOM 601 CB ILE A 48 2.721 3.918 9.354 1.00 0.00 C ATOM 602 CG1 ILE A 48 3.672 4.635 8.394 1.00 0.00 C ATOM 603 CG2 ILE A 48 2.635 4.702 10.666 1.00 0.00 C ATOM 604 CD1 ILE A 48 5.092 4.599 8.963 1.00 0.00 C ATOM 0 H ILE A 48 2.655 2.005 7.643 1.00 0.00 H new ATOM 0 HA ILE A 48 4.235 2.579 10.090 1.00 0.00 H new ATOM 0 HB ILE A 48 1.730 3.853 8.905 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.648 4.155 7.416 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.352 5.667 8.251 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.260 5.706 10.466 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.958 4.191 11.351 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.626 4.768 11.116 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.771 5.110 8.280 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.109 5.098 9.932 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.410 3.563 9.083 1.00 0.00 H new ATOM 616 N SER A 49 1.279 1.165 10.035 1.00 0.00 N ATOM 617 CA SER A 49 0.302 0.420 10.883 1.00 0.00 C ATOM 618 C SER A 49 -0.840 -0.086 10.006 1.00 0.00 C ATOM 619 O SER A 49 -0.923 0.225 8.836 1.00 0.00 O ATOM 620 CB SER A 49 -0.264 1.331 11.978 1.00 0.00 C ATOM 621 OG SER A 49 -0.693 0.537 13.075 1.00 0.00 O ATOM 0 H SER A 49 1.083 1.144 9.034 1.00 0.00 H new ATOM 0 HA SER A 49 0.812 -0.420 11.355 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.495 2.042 12.304 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.099 1.913 11.587 1.00 0.00 H new ATOM 0 HG SER A 49 -0.904 1.117 13.836 1.00 0.00 H new ATOM 627 N ALA A 50 -1.725 -0.859 10.565 1.00 0.00 N ATOM 628 CA ALA A 50 -2.866 -1.380 9.762 1.00 0.00 C ATOM 629 C ALA A 50 -4.128 -1.389 10.623 1.00 0.00 C ATOM 630 O ALA A 50 -4.150 -1.949 11.700 1.00 0.00 O ATOM 631 CB ALA A 50 -2.558 -2.804 9.293 1.00 0.00 C ATOM 0 H ALA A 50 -1.709 -1.153 11.542 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.020 -0.740 8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.395 -3.183 8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.657 -2.798 8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.403 -3.447 10.159 1.00 0.00 H new ATOM 637 N LYS A 51 -5.180 -0.772 10.160 1.00 0.00 N ATOM 638 CA LYS A 51 -6.438 -0.752 10.965 1.00 0.00 C ATOM 639 C LYS A 51 -7.595 -1.282 10.119 1.00 0.00 C ATOM 640 O LYS A 51 -7.579 -1.202 8.909 1.00 0.00 O ATOM 641 CB LYS A 51 -6.747 0.682 11.411 1.00 0.00 C ATOM 642 CG LYS A 51 -5.529 1.266 12.127 1.00 0.00 C ATOM 643 CD LYS A 51 -5.911 1.642 13.560 1.00 0.00 C ATOM 644 CE LYS A 51 -4.679 1.539 14.460 1.00 0.00 C ATOM 645 NZ LYS A 51 -3.489 2.067 13.735 1.00 0.00 N ATOM 0 H LYS A 51 -5.225 -0.283 9.266 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.310 -1.383 11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.004 1.296 10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.611 0.690 12.075 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.716 0.540 12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.167 2.145 11.593 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.311 2.656 13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.697 0.980 13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.838 2.103 15.379 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.512 0.501 14.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.795 2.425 14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.059 1.305 13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.782 2.840 13.104 1.00 0.00 H new ATOM 659 N ARG A 52 -8.601 -1.828 10.745 1.00 0.00 N ATOM 660 CA ARG A 52 -9.756 -2.361 9.969 1.00 0.00 C ATOM 661 C ARG A 52 -11.057 -1.821 10.554 1.00 0.00 C ATOM 662 O ARG A 52 -11.240 -1.751 11.753 1.00 0.00 O ATOM 663 CB ARG A 52 -9.767 -3.895 10.042 1.00 0.00 C ATOM 664 CG ARG A 52 -9.601 -4.333 11.498 1.00 0.00 C ATOM 665 CD ARG A 52 -10.143 -5.752 11.668 1.00 0.00 C ATOM 666 NE ARG A 52 -11.501 -5.837 11.063 1.00 0.00 N ATOM 667 CZ ARG A 52 -12.557 -5.878 11.830 1.00 0.00 C ATOM 668 NH1 ARG A 52 -12.994 -7.024 12.272 1.00 0.00 N ATOM 669 NH2 ARG A 52 -13.174 -4.775 12.154 1.00 0.00 N ATOM 0 H ARG A 52 -8.673 -1.928 11.758 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.663 -2.047 8.929 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.702 -4.283 9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.962 -4.305 9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.549 -4.298 11.782 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.133 -3.648 12.158 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.474 -6.468 11.191 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.187 -6.012 12.726 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.606 -5.863 10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.511 -7.886 12.019 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.819 -7.059 12.871 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.832 -3.879 11.808 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.999 -4.809 12.753 1.00 0.00 H new ATOM 683 N GLN A 53 -11.962 -1.452 9.699 1.00 0.00 N ATOM 684 CA GLN A 53 -13.275 -0.924 10.162 1.00 0.00 C ATOM 685 C GLN A 53 -14.382 -1.668 9.419 1.00 0.00 C ATOM 686 O GLN A 53 -14.119 -2.433 8.509 1.00 0.00 O ATOM 687 CB GLN A 53 -13.368 0.572 9.855 1.00 0.00 C ATOM 688 CG GLN A 53 -13.637 1.339 11.149 1.00 0.00 C ATOM 689 CD GLN A 53 -13.976 2.794 10.820 1.00 0.00 C ATOM 690 OE1 GLN A 53 -13.139 3.667 10.945 1.00 0.00 O ATOM 691 NE2 GLN A 53 -15.174 3.097 10.401 1.00 0.00 N ATOM 0 H GLN A 53 -11.849 -1.493 8.686 1.00 0.00 H new ATOM 0 HA GLN A 53 -13.378 -1.070 11.237 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.441 0.919 9.399 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -14.166 0.758 9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.461 0.877 11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.762 1.296 11.798 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.877 2.366 10.296 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.407 4.065 10.179 1.00 0.00 H new ATOM 700 N LEU A 54 -15.612 -1.466 9.793 1.00 0.00 N ATOM 701 CA LEU A 54 -16.714 -2.184 9.095 1.00 0.00 C ATOM 702 C LEU A 54 -17.704 -1.173 8.486 1.00 0.00 C ATOM 703 O LEU A 54 -17.930 -0.112 9.035 1.00 0.00 O ATOM 704 CB LEU A 54 -17.452 -3.071 10.098 1.00 0.00 C ATOM 705 CG LEU A 54 -18.108 -2.195 11.169 1.00 0.00 C ATOM 706 CD1 LEU A 54 -19.627 -2.217 10.987 1.00 0.00 C ATOM 707 CD2 LEU A 54 -17.751 -2.733 12.558 1.00 0.00 C ATOM 0 H LEU A 54 -15.902 -0.841 10.545 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.292 -2.795 8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -18.209 -3.666 9.586 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.756 -3.771 10.561 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.746 -1.171 11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -20.094 -1.593 11.749 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -19.881 -1.833 9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -19.990 -3.240 11.083 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -18.218 -2.110 13.321 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -18.112 -3.757 12.655 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.669 -2.716 12.688 1.00 0.00 H new ATOM 719 N VAL A 55 -18.310 -1.496 7.365 1.00 0.00 N ATOM 720 CA VAL A 55 -19.286 -0.580 6.733 1.00 0.00 C ATOM 721 C VAL A 55 -20.104 -1.471 5.810 1.00 0.00 C ATOM 722 O VAL A 55 -19.954 -1.401 4.607 1.00 0.00 O ATOM 723 CB VAL A 55 -18.542 0.466 5.904 1.00 0.00 C ATOM 724 CG1 VAL A 55 -18.054 1.593 6.816 1.00 0.00 C ATOM 725 CG2 VAL A 55 -17.347 -0.199 5.222 1.00 0.00 C ATOM 0 H VAL A 55 -18.160 -2.371 6.863 1.00 0.00 H new ATOM 0 HA VAL A 55 -19.901 -0.054 7.463 1.00 0.00 H new ATOM 0 HB VAL A 55 -19.210 0.883 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -17.524 2.338 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -18.908 2.061 7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -17.382 1.185 7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.810 0.540 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -16.679 -0.611 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.699 -1.001 4.573 1.00 0.00 H new ATOM 735 N SER A 56 -20.892 -2.378 6.368 1.00 0.00 N ATOM 736 CA SER A 56 -21.641 -3.350 5.534 1.00 0.00 C ATOM 737 C SER A 56 -20.733 -4.568 5.396 1.00 0.00 C ATOM 738 O SER A 56 -21.117 -5.690 5.657 1.00 0.00 O ATOM 739 CB SER A 56 -21.926 -2.752 4.170 1.00 0.00 C ATOM 740 OG SER A 56 -23.070 -3.369 3.597 1.00 0.00 O ATOM 0 H SER A 56 -21.038 -2.474 7.373 1.00 0.00 H new ATOM 0 HA SER A 56 -22.599 -3.614 5.983 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.090 -1.678 4.262 1.00 0.00 H new ATOM 0 HB3 SER A 56 -21.064 -2.888 3.517 1.00 0.00 H new ATOM 0 HG SER A 56 -22.805 -4.202 3.154 1.00 0.00 H new ATOM 746 N GLY A 57 -19.508 -4.328 5.010 1.00 0.00 N ATOM 747 CA GLY A 57 -18.517 -5.415 4.870 1.00 0.00 C ATOM 748 C GLY A 57 -17.260 -5.038 5.662 1.00 0.00 C ATOM 749 O GLY A 57 -17.335 -4.251 6.587 1.00 0.00 O ATOM 0 H GLY A 57 -19.152 -3.399 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -18.930 -6.353 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.270 -5.568 3.819 1.00 0.00 H new ATOM 753 N ILE A 58 -16.092 -5.550 5.313 1.00 0.00 N ATOM 754 CA ILE A 58 -14.887 -5.128 6.093 1.00 0.00 C ATOM 755 C ILE A 58 -14.034 -4.189 5.242 1.00 0.00 C ATOM 756 O ILE A 58 -14.077 -4.223 4.030 1.00 0.00 O ATOM 757 CB ILE A 58 -14.044 -6.340 6.515 1.00 0.00 C ATOM 758 CG1 ILE A 58 -14.915 -7.599 6.525 1.00 0.00 C ATOM 759 CG2 ILE A 58 -13.478 -6.092 7.918 1.00 0.00 C ATOM 760 CD1 ILE A 58 -14.043 -8.826 6.798 1.00 0.00 C ATOM 0 H ILE A 58 -15.930 -6.213 4.555 1.00 0.00 H new ATOM 0 HA ILE A 58 -15.226 -4.616 6.994 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.226 -6.481 5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -15.688 -7.513 7.289 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -15.424 -7.708 5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.878 -6.949 8.225 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.855 -5.198 7.906 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.298 -5.953 8.622 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.666 -9.721 6.805 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.287 -8.916 6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.554 -8.717 7.766 1.00 0.00 H new ATOM 772 N LYS A 59 -13.261 -3.347 5.869 1.00 0.00 N ATOM 773 CA LYS A 59 -12.408 -2.403 5.096 1.00 0.00 C ATOM 774 C LYS A 59 -11.053 -2.269 5.791 1.00 0.00 C ATOM 775 O LYS A 59 -10.970 -2.220 7.000 1.00 0.00 O ATOM 776 CB LYS A 59 -13.089 -1.032 5.027 1.00 0.00 C ATOM 777 CG LYS A 59 -12.241 -0.080 4.182 1.00 0.00 C ATOM 778 CD LYS A 59 -12.835 1.329 4.250 1.00 0.00 C ATOM 779 CE LYS A 59 -13.777 1.546 3.065 1.00 0.00 C ATOM 780 NZ LYS A 59 -14.325 2.930 3.115 1.00 0.00 N ATOM 0 H LYS A 59 -13.183 -3.272 6.883 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.265 -2.782 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.084 -1.130 4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.217 -0.627 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.214 -0.071 4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.210 -0.424 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.376 1.462 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.038 2.072 4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.243 1.388 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.590 0.820 3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.966 3.079 2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.849 3.064 4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.544 3.615 3.067 1.00 0.00 H new ATOM 794 N TYR A 60 -9.986 -2.214 5.044 1.00 0.00 N ATOM 795 CA TYR A 60 -8.651 -2.084 5.682 1.00 0.00 C ATOM 796 C TYR A 60 -8.074 -0.703 5.384 1.00 0.00 C ATOM 797 O TYR A 60 -8.408 -0.076 4.398 1.00 0.00 O ATOM 798 CB TYR A 60 -7.707 -3.156 5.130 1.00 0.00 C ATOM 799 CG TYR A 60 -8.230 -4.526 5.485 1.00 0.00 C ATOM 800 CD1 TYR A 60 -8.515 -4.846 6.818 1.00 0.00 C ATOM 801 CD2 TYR A 60 -8.430 -5.479 4.478 1.00 0.00 C ATOM 802 CE1 TYR A 60 -9.001 -6.119 7.145 1.00 0.00 C ATOM 803 CE2 TYR A 60 -8.915 -6.752 4.805 1.00 0.00 C ATOM 804 CZ TYR A 60 -9.200 -7.071 6.137 1.00 0.00 C ATOM 805 OH TYR A 60 -9.678 -8.324 6.459 1.00 0.00 O ATOM 0 H TYR A 60 -9.982 -2.253 4.025 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.756 -2.212 6.759 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.623 -3.058 4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.707 -3.020 5.541 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.360 -4.111 7.594 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.210 -5.232 3.450 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.222 -6.366 8.173 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.069 -7.487 4.029 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.760 -8.862 5.644 1.00 0.00 H new ATOM 815 N ILE A 61 -7.207 -0.233 6.230 1.00 0.00 N ATOM 816 CA ILE A 61 -6.591 1.103 6.007 1.00 0.00 C ATOM 817 C ILE A 61 -5.131 1.053 6.454 1.00 0.00 C ATOM 818 O ILE A 61 -4.834 0.867 7.622 1.00 0.00 O ATOM 819 CB ILE A 61 -7.346 2.160 6.821 1.00 0.00 C ATOM 820 CG1 ILE A 61 -7.472 1.693 8.274 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.745 2.364 6.231 1.00 0.00 C ATOM 822 CD1 ILE A 61 -8.248 2.734 9.081 1.00 0.00 C ATOM 0 H ILE A 61 -6.895 -0.718 7.072 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.644 1.365 4.950 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.797 3.101 6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.983 0.731 8.315 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.482 1.546 8.707 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.279 3.116 6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.659 2.698 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.294 1.423 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.337 2.400 10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.718 3.686 9.051 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.243 2.859 8.653 1.00 0.00 H new ATOM 834 N LEU A 62 -4.217 1.200 5.536 1.00 0.00 N ATOM 835 CA LEU A 62 -2.777 1.147 5.907 1.00 0.00 C ATOM 836 C LEU A 62 -2.086 2.448 5.490 1.00 0.00 C ATOM 837 O LEU A 62 -2.365 2.997 4.441 1.00 0.00 O ATOM 838 CB LEU A 62 -2.126 -0.063 5.214 1.00 0.00 C ATOM 839 CG LEU A 62 -1.877 0.213 3.730 1.00 0.00 C ATOM 840 CD1 LEU A 62 -0.668 -0.601 3.267 1.00 0.00 C ATOM 841 CD2 LEU A 62 -3.109 -0.212 2.927 1.00 0.00 C ATOM 0 H LEU A 62 -4.405 1.354 4.546 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.673 1.037 6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.182 -0.302 5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.770 -0.936 5.321 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.687 1.275 3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.484 -0.410 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.209 -0.312 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.866 -1.663 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.938 -0.018 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.291 -1.276 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.977 0.355 3.264 1.00 0.00 H new ATOM 853 N GLN A 63 -1.183 2.936 6.313 1.00 0.00 N ATOM 854 CA GLN A 63 -0.449 4.200 6.000 1.00 0.00 C ATOM 855 C GLN A 63 1.018 3.839 5.748 1.00 0.00 C ATOM 856 O GLN A 63 1.760 3.560 6.668 1.00 0.00 O ATOM 857 CB GLN A 63 -0.559 5.154 7.203 1.00 0.00 C ATOM 858 CG GLN A 63 -1.933 4.992 7.862 1.00 0.00 C ATOM 859 CD GLN A 63 -1.764 4.371 9.249 1.00 0.00 C ATOM 860 OE1 GLN A 63 -1.952 3.183 9.424 1.00 0.00 O ATOM 861 NE2 GLN A 63 -1.418 5.131 10.252 1.00 0.00 N ATOM 0 H GLN A 63 -0.923 2.503 7.199 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.869 4.690 5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.229 4.939 7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.420 6.185 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.425 5.961 7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.572 4.361 7.245 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.260 6.128 10.106 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.305 4.728 11.182 1.00 0.00 H new ATOM 870 N VAL A 64 1.430 3.789 4.508 1.00 0.00 N ATOM 871 CA VAL A 64 2.814 3.386 4.200 1.00 0.00 C ATOM 872 C VAL A 64 3.733 4.592 4.006 1.00 0.00 C ATOM 873 O VAL A 64 3.346 5.607 3.469 1.00 0.00 O ATOM 874 CB VAL A 64 2.763 2.606 2.892 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.560 1.666 2.909 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.632 3.587 1.718 1.00 0.00 C ATOM 0 H VAL A 64 0.855 4.014 3.696 1.00 0.00 H new ATOM 0 HA VAL A 64 3.210 2.799 5.028 1.00 0.00 H new ATOM 0 HB VAL A 64 3.677 2.023 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.522 1.107 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.653 0.971 3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.645 2.248 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.595 3.031 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.717 4.169 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.490 4.259 1.708 1.00 0.00 H new ATOM 886 N GLU A 65 4.970 4.444 4.363 1.00 0.00 N ATOM 887 CA GLU A 65 5.949 5.530 4.125 1.00 0.00 C ATOM 888 C GLU A 65 6.748 5.092 2.902 1.00 0.00 C ATOM 889 O GLU A 65 7.847 4.583 3.010 1.00 0.00 O ATOM 890 CB GLU A 65 6.874 5.682 5.334 1.00 0.00 C ATOM 891 CG GLU A 65 7.771 6.906 5.135 1.00 0.00 C ATOM 892 CD GLU A 65 8.331 7.357 6.485 1.00 0.00 C ATOM 893 OE1 GLU A 65 7.600 7.293 7.460 1.00 0.00 O ATOM 894 OE2 GLU A 65 9.483 7.761 6.521 1.00 0.00 O ATOM 0 H GLU A 65 5.349 3.611 4.813 1.00 0.00 H new ATOM 0 HA GLU A 65 5.461 6.492 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.285 5.793 6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.483 4.786 5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.587 6.664 4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.202 7.715 4.677 1.00 0.00 H new ATOM 901 N ILE A 66 6.173 5.231 1.740 1.00 0.00 N ATOM 902 CA ILE A 66 6.863 4.759 0.507 1.00 0.00 C ATOM 903 C ILE A 66 7.814 5.826 -0.038 1.00 0.00 C ATOM 904 O ILE A 66 7.435 6.959 -0.246 1.00 0.00 O ATOM 905 CB ILE A 66 5.828 4.399 -0.569 1.00 0.00 C ATOM 906 CG1 ILE A 66 4.682 5.415 -0.577 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.263 3.004 -0.285 1.00 0.00 C ATOM 908 CD1 ILE A 66 3.741 5.105 -1.743 1.00 0.00 C ATOM 0 H ILE A 66 5.255 5.651 1.591 1.00 0.00 H new ATOM 0 HA ILE A 66 7.447 3.876 0.767 1.00 0.00 H new ATOM 0 HB ILE A 66 6.318 4.413 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.137 5.374 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.078 6.426 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.528 2.747 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.072 2.274 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.786 2.997 0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.924 5.826 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.292 5.168 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.337 4.100 -1.627 1.00 0.00 H new ATOM 920 N GLY A 67 9.051 5.464 -0.287 1.00 0.00 N ATOM 921 CA GLY A 67 10.015 6.449 -0.835 1.00 0.00 C ATOM 922 C GLY A 67 10.293 6.113 -2.301 1.00 0.00 C ATOM 923 O GLY A 67 9.964 5.039 -2.782 1.00 0.00 O ATOM 0 H GLY A 67 9.427 4.528 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.611 7.458 -0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.942 6.427 -0.262 1.00 0.00 H new ATOM 927 N ARG A 68 10.908 7.019 -3.008 1.00 0.00 N ATOM 928 CA ARG A 68 11.230 6.764 -4.437 1.00 0.00 C ATOM 929 C ARG A 68 12.717 6.453 -4.543 1.00 0.00 C ATOM 930 O ARG A 68 13.418 6.489 -3.561 1.00 0.00 O ATOM 931 CB ARG A 68 10.902 8.003 -5.271 1.00 0.00 C ATOM 932 CG ARG A 68 9.480 8.469 -4.956 1.00 0.00 C ATOM 933 CD ARG A 68 8.818 8.990 -6.233 1.00 0.00 C ATOM 934 NE ARG A 68 8.025 10.211 -5.916 1.00 0.00 N ATOM 935 CZ ARG A 68 6.907 10.110 -5.248 1.00 0.00 C ATOM 936 NH1 ARG A 68 6.547 8.961 -4.743 1.00 0.00 N ATOM 937 NH2 ARG A 68 6.150 11.161 -5.080 1.00 0.00 N ATOM 0 H ARG A 68 11.202 7.929 -2.655 1.00 0.00 H new ATOM 0 HA ARG A 68 10.642 5.926 -4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.614 8.800 -5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.994 7.774 -6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.899 7.644 -4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.502 9.253 -4.199 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.576 9.220 -6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.171 8.223 -6.659 1.00 0.00 H new ATOM 0 HE ARG A 68 8.355 11.127 -6.221 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.139 8.140 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.674 8.884 -4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.432 12.060 -5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.277 11.083 -4.558 1.00 0.00 H new ATOM 951 N THR A 69 13.209 6.161 -5.720 1.00 0.00 N ATOM 952 CA THR A 69 14.664 5.858 -5.871 1.00 0.00 C ATOM 953 C THR A 69 15.047 6.016 -7.355 1.00 0.00 C ATOM 954 O THR A 69 14.194 6.256 -8.193 1.00 0.00 O ATOM 955 CB THR A 69 14.962 4.418 -5.412 1.00 0.00 C ATOM 956 OG1 THR A 69 15.865 3.810 -6.325 1.00 0.00 O ATOM 957 CG2 THR A 69 13.673 3.591 -5.347 1.00 0.00 C ATOM 0 H THR A 69 12.666 6.119 -6.583 1.00 0.00 H new ATOM 0 HA THR A 69 15.245 6.545 -5.255 1.00 0.00 H new ATOM 0 HB THR A 69 15.404 4.454 -4.416 1.00 0.00 H new ATOM 0 HG1 THR A 69 16.786 3.989 -6.042 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.907 2.578 -5.021 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.982 4.049 -4.640 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.212 3.557 -6.334 1.00 0.00 H new ATOM 965 N THR A 70 16.309 5.868 -7.709 1.00 0.00 N ATOM 966 CA THR A 70 16.680 6.015 -9.141 1.00 0.00 C ATOM 967 C THR A 70 16.165 4.800 -9.910 1.00 0.00 C ATOM 968 O THR A 70 15.022 4.775 -10.305 1.00 0.00 O ATOM 969 CB THR A 70 18.204 6.116 -9.269 1.00 0.00 C ATOM 970 OG1 THR A 70 18.815 5.196 -8.374 1.00 0.00 O ATOM 971 CG2 THR A 70 18.658 7.535 -8.930 1.00 0.00 C ATOM 0 H THR A 70 17.078 5.656 -7.073 1.00 0.00 H new ATOM 0 HA THR A 70 16.234 6.921 -9.552 1.00 0.00 H new ATOM 0 HB THR A 70 18.497 5.880 -10.292 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.790 5.258 -8.456 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.742 7.602 -9.022 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.191 8.240 -9.617 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.365 7.776 -7.908 1.00 0.00 H new ATOM 1123 N GLU A 82 18.767 2.979 -5.062 1.00 0.00 N ATOM 1124 CA GLU A 82 18.790 3.820 -3.829 1.00 0.00 C ATOM 1125 C GLU A 82 17.698 4.888 -3.923 1.00 0.00 C ATOM 1126 O GLU A 82 17.329 5.319 -5.001 1.00 0.00 O ATOM 1127 CB GLU A 82 20.151 4.505 -3.695 1.00 0.00 C ATOM 1128 CG GLU A 82 21.268 3.460 -3.751 1.00 0.00 C ATOM 1129 CD GLU A 82 21.185 2.557 -2.518 1.00 0.00 C ATOM 1130 OE1 GLU A 82 20.849 3.062 -1.459 1.00 0.00 O ATOM 1131 OE2 GLU A 82 21.461 1.376 -2.653 1.00 0.00 O ATOM 0 HA GLU A 82 18.615 3.187 -2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.282 5.233 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.201 5.053 -2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 82 21.177 2.863 -4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 82 22.240 3.953 -3.789 1.00 0.00 H new ATOM 1138 N PHE A 83 17.163 5.309 -2.802 1.00 0.00 N ATOM 1139 CA PHE A 83 16.075 6.341 -2.844 1.00 0.00 C ATOM 1140 C PHE A 83 16.506 7.554 -3.674 1.00 0.00 C ATOM 1141 O PHE A 83 15.677 8.329 -4.101 1.00 0.00 O ATOM 1142 CB PHE A 83 15.665 6.814 -1.437 1.00 0.00 C ATOM 1143 CG PHE A 83 14.940 5.684 -0.721 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.652 4.726 0.012 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.537 5.598 -0.797 1.00 0.00 C ATOM 1146 CE1 PHE A 83 14.970 3.692 0.665 1.00 0.00 C ATOM 1147 CE2 PHE A 83 12.859 4.564 -0.143 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.574 3.610 0.590 1.00 0.00 C ATOM 0 H PHE A 83 17.427 4.989 -1.870 1.00 0.00 H new ATOM 0 HA PHE A 83 15.213 5.862 -3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 83 16.546 7.114 -0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 83 15.019 7.689 -1.508 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.729 4.785 0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.982 6.333 -1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.523 2.955 1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.783 4.502 -0.204 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.051 2.813 1.097 1.00 0.00 H new ATOM 1158 N HIS A 84 17.785 7.702 -3.919 1.00 0.00 N ATOM 1159 CA HIS A 84 18.305 8.849 -4.739 1.00 0.00 C ATOM 1160 C HIS A 84 19.683 9.271 -4.202 1.00 0.00 C ATOM 1161 O HIS A 84 19.808 9.684 -3.066 1.00 0.00 O ATOM 1162 CB HIS A 84 17.361 10.057 -4.661 1.00 0.00 C ATOM 1163 CG HIS A 84 18.034 11.261 -5.262 1.00 0.00 C ATOM 1164 ND1 HIS A 84 18.732 11.196 -6.456 1.00 0.00 N ATOM 1165 CD2 HIS A 84 18.124 12.566 -4.846 1.00 0.00 C ATOM 1166 CE1 HIS A 84 19.206 12.427 -6.718 1.00 0.00 C ATOM 1167 NE2 HIS A 84 18.864 13.301 -5.769 1.00 0.00 N ATOM 0 H HIS A 84 18.507 7.066 -3.580 1.00 0.00 H new ATOM 0 HA HIS A 84 18.376 8.522 -5.776 1.00 0.00 H new ATOM 0 HB2 HIS A 84 16.434 9.842 -5.193 1.00 0.00 H new ATOM 0 HB3 HIS A 84 17.094 10.257 -3.623 1.00 0.00 H new ATOM 0 HD2 HIS A 84 17.688 12.962 -3.941 1.00 0.00 H new ATOM 0 HE1 HIS A 84 19.792 12.678 -7.590 1.00 0.00 H new ATOM 0 HE2 HIS A 84 19.095 14.294 -5.728 1.00 0.00 H new ATOM 1258 N LYS A 91 14.467 12.089 0.630 1.00 0.00 N ATOM 1259 CA LYS A 91 13.208 12.164 1.379 1.00 0.00 C ATOM 1260 C LYS A 91 12.477 10.841 1.225 1.00 0.00 C ATOM 1261 O LYS A 91 13.071 9.791 1.088 1.00 0.00 O ATOM 1262 CB LYS A 91 12.364 13.304 0.801 1.00 0.00 C ATOM 1263 CG LYS A 91 11.600 14.002 1.927 1.00 0.00 C ATOM 1264 CD LYS A 91 11.499 15.501 1.627 1.00 0.00 C ATOM 1265 CE LYS A 91 11.075 15.710 0.171 1.00 0.00 C ATOM 1266 NZ LYS A 91 10.732 17.143 -0.049 1.00 0.00 N ATOM 0 HA LYS A 91 13.394 12.354 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.005 14.019 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.665 12.913 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.603 13.572 2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.109 13.845 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.776 15.967 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.459 15.983 1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.881 15.411 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.217 15.080 -0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.444 17.283 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.950 17.413 0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.562 17.734 0.157 1.00 0.00 H new ATOM 1280 N TYR A 92 11.196 10.909 1.224 1.00 0.00 N ATOM 1281 CA TYR A 92 10.352 9.682 1.068 1.00 0.00 C ATOM 1282 C TYR A 92 8.932 10.100 0.680 1.00 0.00 C ATOM 1283 O TYR A 92 8.706 11.216 0.258 1.00 0.00 O ATOM 1284 CB TYR A 92 10.320 8.877 2.382 1.00 0.00 C ATOM 1285 CG TYR A 92 11.717 8.313 2.657 1.00 0.00 C ATOM 1286 CD1 TYR A 92 12.114 7.091 2.086 1.00 0.00 C ATOM 1287 CD2 TYR A 92 12.633 9.019 3.467 1.00 0.00 C ATOM 1288 CE1 TYR A 92 13.394 6.581 2.319 1.00 0.00 C ATOM 1289 CE2 TYR A 92 13.913 8.500 3.696 1.00 0.00 C ATOM 1290 CZ TYR A 92 14.293 7.285 3.124 1.00 0.00 C ATOM 1291 OH TYR A 92 15.557 6.778 3.352 1.00 0.00 O ATOM 0 H TYR A 92 10.669 11.776 1.326 1.00 0.00 H new ATOM 0 HA TYR A 92 10.779 9.050 0.289 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.003 9.515 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.595 8.067 2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.424 6.542 1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.346 9.961 3.911 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.689 5.641 1.876 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.610 9.042 4.318 1.00 0.00 H new ATOM 0 HH TYR A 92 16.056 7.391 3.931 1.00 0.00 H new ATOM 1301 N THR A 93 7.971 9.221 0.806 1.00 0.00 N ATOM 1302 CA THR A 93 6.578 9.597 0.425 1.00 0.00 C ATOM 1303 C THR A 93 5.564 8.901 1.340 1.00 0.00 C ATOM 1304 O THR A 93 5.503 7.687 1.417 1.00 0.00 O ATOM 1305 CB THR A 93 6.319 9.182 -1.024 1.00 0.00 C ATOM 1306 OG1 THR A 93 7.537 9.226 -1.756 1.00 0.00 O ATOM 1307 CG2 THR A 93 5.304 10.140 -1.653 1.00 0.00 C ATOM 0 H THR A 93 8.089 8.269 1.153 1.00 0.00 H new ATOM 0 HA THR A 93 6.465 10.676 0.530 1.00 0.00 H new ATOM 0 HB THR A 93 5.922 8.167 -1.048 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.996 8.364 -1.679 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.118 9.846 -2.686 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.371 10.102 -1.091 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.700 11.155 -1.630 1.00 0.00 H new ATOM 1315 N THR A 94 4.751 9.669 2.019 1.00 0.00 N ATOM 1316 CA THR A 94 3.723 9.069 2.913 1.00 0.00 C ATOM 1317 C THR A 94 2.497 8.701 2.071 1.00 0.00 C ATOM 1318 O THR A 94 2.188 9.361 1.100 1.00 0.00 O ATOM 1319 CB THR A 94 3.332 10.088 3.992 1.00 0.00 C ATOM 1320 OG1 THR A 94 2.685 9.416 5.063 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.388 11.140 3.401 1.00 0.00 C ATOM 0 H THR A 94 4.757 10.689 1.991 1.00 0.00 H new ATOM 0 HA THR A 94 4.117 8.175 3.396 1.00 0.00 H new ATOM 0 HB THR A 94 4.230 10.583 4.360 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.436 10.065 5.754 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.115 11.859 4.173 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.888 11.658 2.583 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.488 10.652 3.026 1.00 0.00 H new ATOM 1329 N CYS A 95 1.793 7.659 2.425 1.00 0.00 N ATOM 1330 CA CYS A 95 0.597 7.278 1.625 1.00 0.00 C ATOM 1331 C CYS A 95 -0.279 6.368 2.479 1.00 0.00 C ATOM 1332 O CYS A 95 0.159 5.844 3.480 1.00 0.00 O ATOM 1333 CB CYS A 95 1.038 6.532 0.354 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.407 6.133 -0.661 1.00 0.00 S ATOM 0 H CYS A 95 1.993 7.061 3.227 1.00 0.00 H new ATOM 0 HA CYS A 95 0.041 8.169 1.332 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.734 7.147 -0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.567 5.618 0.624 1.00 0.00 H new ATOM 1339 N THR A 96 -1.510 6.183 2.110 1.00 0.00 N ATOM 1340 CA THR A 96 -2.395 5.303 2.925 1.00 0.00 C ATOM 1341 C THR A 96 -3.446 4.652 2.034 1.00 0.00 C ATOM 1342 O THR A 96 -4.320 5.315 1.521 1.00 0.00 O ATOM 1343 CB THR A 96 -3.101 6.143 3.984 1.00 0.00 C ATOM 1344 OG1 THR A 96 -2.131 6.798 4.791 1.00 0.00 O ATOM 1345 CG2 THR A 96 -3.977 5.240 4.855 1.00 0.00 C ATOM 0 H THR A 96 -1.944 6.598 1.285 1.00 0.00 H new ATOM 0 HA THR A 96 -1.790 4.530 3.398 1.00 0.00 H new ATOM 0 HB THR A 96 -3.730 6.890 3.498 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.583 7.340 5.471 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.481 5.842 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.721 4.744 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.354 4.490 5.343 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.393 3.358 1.852 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.431 2.727 0.971 1.00 0.00 C ATOM 1355 C PHE A 97 -5.632 2.262 1.793 1.00 0.00 C ATOM 1356 O PHE A 97 -5.561 2.094 2.996 1.00 0.00 O ATOM 1357 CB PHE A 97 -3.912 1.512 0.186 1.00 0.00 C ATOM 1358 CG PHE A 97 -2.415 1.329 0.276 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -1.546 2.424 0.245 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -1.902 0.028 0.348 1.00 0.00 C ATOM 1361 CE1 PHE A 97 -0.161 2.214 0.285 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -0.524 -0.181 0.395 1.00 0.00 C ATOM 1363 CZ PHE A 97 0.348 0.908 0.361 1.00 0.00 C ATOM 0 H PHE A 97 -2.703 2.726 2.258 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.712 3.506 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.403 0.613 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.194 1.619 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.941 3.428 0.190 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.576 -0.816 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.514 3.056 0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.132 -1.185 0.458 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.415 0.746 0.393 1.00 0.00 H new ATOM 1373 N VAL A 98 -6.735 2.028 1.124 1.00 0.00 N ATOM 1374 CA VAL A 98 -7.960 1.545 1.817 1.00 0.00 C ATOM 1375 C VAL A 98 -8.525 0.370 1.014 1.00 0.00 C ATOM 1376 O VAL A 98 -8.896 0.516 -0.134 1.00 0.00 O ATOM 1377 CB VAL A 98 -8.991 2.673 1.873 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -10.287 2.156 2.497 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -8.440 3.821 2.720 1.00 0.00 C ATOM 0 H VAL A 98 -6.835 2.154 0.117 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.725 1.231 2.834 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.195 3.028 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.019 2.962 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.680 1.337 1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.087 1.799 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.173 4.627 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.236 3.463 3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.518 4.192 2.274 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.572 -0.798 1.592 1.00 0.00 N ATOM 1390 CA VAL A 99 -9.091 -1.974 0.834 1.00 0.00 C ATOM 1391 C VAL A 99 -10.525 -2.284 1.255 1.00 0.00 C ATOM 1392 O VAL A 99 -10.984 -1.866 2.297 1.00 0.00 O ATOM 1393 CB VAL A 99 -8.208 -3.190 1.127 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -8.517 -4.300 0.120 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -6.735 -2.790 1.011 1.00 0.00 C ATOM 0 H VAL A 99 -8.276 -0.990 2.549 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.075 -1.745 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.408 -3.550 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.888 -5.166 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -9.566 -4.585 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.317 -3.941 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.106 -3.655 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.534 -2.430 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.515 -2.000 1.729 1.00 0.00 H new ATOM 1405 N TYR A 100 -11.233 -3.026 0.453 1.00 0.00 N ATOM 1406 CA TYR A 100 -12.626 -3.384 0.799 1.00 0.00 C ATOM 1407 C TYR A 100 -12.739 -4.903 0.724 1.00 0.00 C ATOM 1408 O TYR A 100 -12.039 -5.535 -0.037 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.569 -2.735 -0.201 1.00 0.00 C ATOM 1410 CG TYR A 100 -14.905 -2.409 0.501 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -14.961 -1.449 1.537 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -16.101 -3.066 0.123 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -16.175 -1.154 2.168 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -17.307 -2.762 0.766 1.00 0.00 C ATOM 1415 CZ TYR A 100 -17.345 -1.809 1.782 1.00 0.00 C ATOM 1416 OH TYR A 100 -18.539 -1.516 2.408 1.00 0.00 O ATOM 0 H TYR A 100 -10.899 -3.401 -0.435 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.888 -3.037 1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.123 -1.825 -0.602 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.741 -3.404 -1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.060 -0.939 1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -16.083 -3.805 -0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -16.206 -0.417 2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -18.214 -3.270 0.473 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.255 -2.060 2.019 1.00 0.00 H new ATOM 1426 N SER A 101 -13.581 -5.511 1.506 1.00 0.00 N ATOM 1427 CA SER A 101 -13.668 -6.993 1.437 1.00 0.00 C ATOM 1428 C SER A 101 -15.049 -7.491 1.864 1.00 0.00 C ATOM 1429 O SER A 101 -15.358 -7.553 3.047 1.00 0.00 O ATOM 1430 CB SER A 101 -12.608 -7.600 2.358 1.00 0.00 C ATOM 1431 OG SER A 101 -12.623 -9.014 2.229 1.00 0.00 O ATOM 0 H SER A 101 -14.201 -5.058 2.177 1.00 0.00 H new ATOM 0 HA SER A 101 -13.499 -7.299 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.622 -7.211 2.102 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.804 -7.316 3.392 1.00 0.00 H new ATOM 0 HG SER A 101 -11.943 -9.403 2.818 1.00 0.00 H new ATOM 1437 N ILE A 102 -15.875 -7.883 0.919 1.00 0.00 N ATOM 1438 CA ILE A 102 -17.210 -8.425 1.294 1.00 0.00 C ATOM 1439 C ILE A 102 -17.702 -9.405 0.224 1.00 0.00 C ATOM 1440 O ILE A 102 -18.229 -8.978 -0.787 1.00 0.00 O ATOM 1441 CB ILE A 102 -18.275 -7.344 1.409 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -17.726 -5.972 0.988 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -18.806 -7.341 2.854 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -16.851 -5.380 2.084 1.00 0.00 C ATOM 0 H ILE A 102 -15.680 -7.849 -0.082 1.00 0.00 H new ATOM 0 HA ILE A 102 -17.072 -8.906 2.262 1.00 0.00 H new ATOM 0 HB ILE A 102 -19.099 -7.557 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -17.148 -6.073 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -18.553 -5.295 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -19.572 -6.572 2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -19.236 -8.315 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -17.987 -7.133 3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -16.474 -4.409 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -17.439 -5.259 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.013 -6.048 2.281 1.00 0.00 H new ATOM 1456 N PRO A 103 -17.567 -10.679 0.479 1.00 0.00 N ATOM 1457 CA PRO A 103 -18.051 -11.738 -0.444 1.00 0.00 C ATOM 1458 C PRO A 103 -19.511 -12.057 -0.090 1.00 0.00 C ATOM 1459 O PRO A 103 -20.179 -12.820 -0.760 1.00 0.00 O ATOM 1460 CB PRO A 103 -17.137 -12.913 -0.116 1.00 0.00 C ATOM 1461 CG PRO A 103 -16.624 -12.703 1.308 1.00 0.00 C ATOM 1462 CD PRO A 103 -16.918 -11.249 1.704 1.00 0.00 C ATOM 0 HA PRO A 103 -18.026 -11.475 -1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -17.679 -13.855 -0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -16.307 -12.963 -0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -17.114 -13.393 1.996 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -15.554 -12.905 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -17.577 -11.194 2.570 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -16.006 -10.711 1.963 1.00 0.00 H new ATOM 1470 N TRP A 104 -19.984 -11.499 1.000 1.00 0.00 N ATOM 1471 CA TRP A 104 -21.394 -11.790 1.461 1.00 0.00 C ATOM 1472 C TRP A 104 -22.477 -11.012 0.696 1.00 0.00 C ATOM 1473 O TRP A 104 -23.644 -11.331 0.808 1.00 0.00 O ATOM 1474 CB TRP A 104 -21.528 -11.522 2.973 1.00 0.00 C ATOM 1475 CG TRP A 104 -22.056 -10.143 3.318 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -22.876 -9.938 4.369 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -21.842 -8.794 2.723 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -23.163 -8.601 4.473 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -22.564 -7.857 3.501 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -21.120 -8.277 1.624 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -22.570 -6.492 3.221 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -21.131 -6.887 1.341 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -21.855 -6.003 2.141 1.00 0.00 C ATOM 0 H TRP A 104 -19.461 -10.855 1.594 1.00 0.00 H new ATOM 0 HA TRP A 104 -21.565 -12.845 1.245 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -22.191 -12.271 3.405 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -20.552 -11.652 3.441 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -23.249 -10.708 5.028 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -23.760 -8.206 5.199 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -20.554 -8.947 0.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -23.133 -5.815 3.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -20.573 -6.509 0.497 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -21.858 -4.946 1.920 1.00 0.00 H new ATOM 1494 N LEU A 105 -22.148 -10.013 -0.068 1.00 0.00 N ATOM 1495 CA LEU A 105 -23.196 -9.278 -0.786 1.00 0.00 C ATOM 1496 C LEU A 105 -22.567 -8.526 -1.972 1.00 0.00 C ATOM 1497 O LEU A 105 -23.126 -7.562 -2.455 1.00 0.00 O ATOM 1498 CB LEU A 105 -23.837 -8.262 0.156 1.00 0.00 C ATOM 1499 CG LEU A 105 -24.574 -8.944 1.324 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -25.148 -7.866 2.234 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -25.711 -9.813 0.784 1.00 0.00 C ATOM 0 H LEU A 105 -21.196 -9.680 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 105 -23.950 -9.979 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -23.068 -7.598 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -24.538 -7.642 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 105 -23.880 -9.574 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.673 -8.334 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -24.339 -7.246 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -25.844 -7.245 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.228 -10.293 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -26.413 -9.190 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.303 -10.576 0.122 1.00 0.00 H new ATOM 1513 N ASN A 106 -21.420 -8.955 -2.461 1.00 0.00 N ATOM 1514 CA ASN A 106 -20.801 -8.253 -3.610 1.00 0.00 C ATOM 1515 C ASN A 106 -19.469 -8.893 -3.973 1.00 0.00 C ATOM 1516 O ASN A 106 -19.388 -9.706 -4.870 1.00 0.00 O ATOM 1517 CB ASN A 106 -20.611 -6.748 -3.313 1.00 0.00 C ATOM 1518 CG ASN A 106 -20.281 -6.019 -4.617 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -21.069 -5.230 -5.100 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -19.142 -6.250 -5.208 1.00 0.00 N ATOM 0 H ASN A 106 -20.898 -9.757 -2.108 1.00 0.00 H new ATOM 0 HA ASN A 106 -21.478 -8.345 -4.460 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -21.517 -6.335 -2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -19.809 -6.606 -2.589 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.911 -5.768 -6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.482 -6.913 -4.801 1.00 0.00 H new ATOM 1527 N GLN A 107 -18.443 -8.528 -3.279 1.00 0.00 N ATOM 1528 CA GLN A 107 -17.073 -9.081 -3.561 1.00 0.00 C ATOM 1529 C GLN A 107 -15.999 -8.247 -2.844 1.00 0.00 C ATOM 1530 O GLN A 107 -16.289 -7.384 -2.031 1.00 0.00 O ATOM 1531 CB GLN A 107 -16.802 -9.029 -5.070 1.00 0.00 C ATOM 1532 CG GLN A 107 -15.903 -10.202 -5.472 1.00 0.00 C ATOM 1533 CD GLN A 107 -14.832 -9.718 -6.451 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -14.100 -8.792 -6.161 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -14.710 -10.308 -7.608 1.00 0.00 N ATOM 0 H GLN A 107 -18.480 -7.858 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 107 -17.034 -10.109 -3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -17.742 -9.073 -5.620 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -16.324 -8.085 -5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.433 -10.633 -4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -16.500 -10.990 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.324 -11.085 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.000 -9.992 -8.269 1.00 0.00 H new ATOM 1544 N ILE A 108 -14.756 -8.505 -3.149 1.00 0.00 N ATOM 1545 CA ILE A 108 -13.640 -7.733 -2.526 1.00 0.00 C ATOM 1546 C ILE A 108 -13.276 -6.574 -3.467 1.00 0.00 C ATOM 1547 O ILE A 108 -13.506 -6.650 -4.658 1.00 0.00 O ATOM 1548 CB ILE A 108 -12.432 -8.663 -2.337 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -11.396 -7.997 -1.425 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -11.799 -8.986 -3.696 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -10.621 -6.925 -2.199 1.00 0.00 C ATOM 0 H ILE A 108 -14.462 -9.225 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.936 -7.338 -1.554 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.770 -9.590 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.893 -7.547 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.706 -8.747 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.944 -9.646 -3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.534 -9.479 -4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.469 -8.063 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.888 -6.459 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.109 -7.385 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -11.314 -6.167 -2.564 1.00 0.00 H new ATOM 1563 N LYS A 109 -12.724 -5.498 -2.963 1.00 0.00 N ATOM 1564 CA LYS A 109 -12.381 -4.365 -3.872 1.00 0.00 C ATOM 1565 C LYS A 109 -11.149 -3.619 -3.355 1.00 0.00 C ATOM 1566 O LYS A 109 -10.585 -3.954 -2.333 1.00 0.00 O ATOM 1567 CB LYS A 109 -13.566 -3.399 -3.945 1.00 0.00 C ATOM 1568 CG LYS A 109 -13.603 -2.734 -5.322 1.00 0.00 C ATOM 1569 CD LYS A 109 -13.764 -1.221 -5.156 1.00 0.00 C ATOM 1570 CE LYS A 109 -15.102 -0.780 -5.754 1.00 0.00 C ATOM 1571 NZ LYS A 109 -16.088 -0.560 -4.661 1.00 0.00 N ATOM 0 H LYS A 109 -12.500 -5.357 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.162 -4.761 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.497 -3.936 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.479 -2.641 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.686 -2.955 -5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.429 -3.136 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.720 -0.954 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.944 -0.701 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.971 0.137 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.472 -1.539 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.997 -0.260 -5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.221 -1.444 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.736 0.179 -4.019 1.00 0.00 H new ATOM 1585 N LEU A 110 -10.741 -2.599 -4.059 1.00 0.00 N ATOM 1586 CA LEU A 110 -9.570 -1.802 -3.643 1.00 0.00 C ATOM 1587 C LEU A 110 -9.870 -0.338 -3.948 1.00 0.00 C ATOM 1588 O LEU A 110 -9.607 0.148 -5.030 1.00 0.00 O ATOM 1589 CB LEU A 110 -8.345 -2.239 -4.437 1.00 0.00 C ATOM 1590 CG LEU A 110 -7.099 -1.521 -3.910 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -7.097 -0.073 -4.403 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -7.102 -1.538 -2.376 1.00 0.00 C ATOM 0 H LEU A 110 -11.185 -2.284 -4.922 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.373 -1.943 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.215 -3.318 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.486 -2.013 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.208 -2.032 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.210 0.438 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.090 -0.060 -5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.990 0.436 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.214 -1.026 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.994 -1.030 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.100 -2.569 -2.024 1.00 0.00 H new ATOM 1604 N LEU A 111 -10.434 0.356 -3.011 1.00 0.00 N ATOM 1605 CA LEU A 111 -10.778 1.782 -3.230 1.00 0.00 C ATOM 1606 C LEU A 111 -9.626 2.466 -3.959 1.00 0.00 C ATOM 1607 O LEU A 111 -9.746 2.836 -5.110 1.00 0.00 O ATOM 1608 CB LEU A 111 -11.026 2.445 -1.877 1.00 0.00 C ATOM 1609 CG LEU A 111 -12.194 3.428 -1.998 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -13.506 2.645 -2.102 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -12.239 4.328 -0.762 1.00 0.00 C ATOM 0 H LEU A 111 -10.676 -0.007 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 111 -11.679 1.868 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.249 1.689 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.129 2.968 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.060 4.042 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.340 3.342 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -13.478 2.003 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.636 2.033 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.071 5.027 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.373 3.715 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.305 4.884 -0.683 1.00 0.00 H new ATOM 1623 N GLU A 112 -8.501 2.621 -3.316 1.00 0.00 N ATOM 1624 CA GLU A 112 -7.347 3.267 -4.019 1.00 0.00 C ATOM 1625 C GLU A 112 -6.279 3.690 -3.013 1.00 0.00 C ATOM 1626 O GLU A 112 -6.351 3.388 -1.840 1.00 0.00 O ATOM 1627 CB GLU A 112 -7.824 4.513 -4.785 1.00 0.00 C ATOM 1628 CG GLU A 112 -8.896 5.235 -3.967 1.00 0.00 C ATOM 1629 CD GLU A 112 -8.760 6.744 -4.174 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -7.663 7.183 -4.479 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -9.754 7.435 -4.027 1.00 0.00 O ATOM 0 H GLU A 112 -8.328 2.336 -2.352 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.926 2.542 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.984 5.181 -4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.226 4.224 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.888 4.903 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -8.789 4.990 -2.910 1.00 0.00 H new ATOM 1638 N SER A 113 -5.284 4.392 -3.482 1.00 0.00 N ATOM 1639 CA SER A 113 -4.194 4.851 -2.582 1.00 0.00 C ATOM 1640 C SER A 113 -4.508 6.261 -2.082 1.00 0.00 C ATOM 1641 O SER A 113 -5.030 7.089 -2.801 1.00 0.00 O ATOM 1642 CB SER A 113 -2.867 4.866 -3.351 1.00 0.00 C ATOM 1643 OG SER A 113 -2.744 6.091 -4.058 1.00 0.00 O ATOM 0 H SER A 113 -5.181 4.668 -4.458 1.00 0.00 H new ATOM 0 HA SER A 113 -4.114 4.172 -1.733 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.032 4.747 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.827 4.027 -4.046 1.00 0.00 H new ATOM 0 HG SER A 113 -2.116 6.679 -3.588 1.00 0.00 H new ATOM 1649 N LYS A 114 -4.191 6.535 -0.850 1.00 0.00 N ATOM 1650 CA LYS A 114 -4.460 7.883 -0.279 1.00 0.00 C ATOM 1651 C LYS A 114 -3.135 8.528 0.153 1.00 0.00 C ATOM 1652 O LYS A 114 -2.775 8.491 1.313 1.00 0.00 O ATOM 1653 CB LYS A 114 -5.369 7.742 0.940 1.00 0.00 C ATOM 1654 CG LYS A 114 -6.498 8.767 0.851 1.00 0.00 C ATOM 1655 CD LYS A 114 -5.934 10.168 1.098 1.00 0.00 C ATOM 1656 CE LYS A 114 -6.426 11.114 0.000 1.00 0.00 C ATOM 1657 NZ LYS A 114 -7.586 11.901 0.504 1.00 0.00 N ATOM 0 H LYS A 114 -3.752 5.876 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.944 8.507 -1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.781 6.734 0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.796 7.894 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.969 8.721 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.270 8.539 1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.250 10.532 2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.844 10.137 1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.622 11.785 -0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.716 10.544 -0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.920 12.544 -0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.354 11.254 0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.295 12.456 1.334 1.00 0.00 H new ATOM 1671 N CYS A 115 -2.398 9.109 -0.761 1.00 0.00 N ATOM 1672 CA CYS A 115 -1.102 9.743 -0.371 1.00 0.00 C ATOM 1673 C CYS A 115 -1.133 11.227 -0.727 1.00 0.00 C ATOM 1674 O CYS A 115 -2.008 11.693 -1.431 1.00 0.00 O ATOM 1675 CB CYS A 115 0.087 9.074 -1.089 1.00 0.00 C ATOM 1676 SG CYS A 115 -0.457 7.620 -2.027 1.00 0.00 S ATOM 0 H CYS A 115 -2.635 9.171 -1.751 1.00 0.00 H new ATOM 0 HA CYS A 115 -0.972 9.615 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 115 0.560 9.790 -1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 115 0.839 8.779 -0.357 1.00 0.00 H new ATOM 1681 N GLN A 116 -0.182 11.977 -0.242 1.00 0.00 N ATOM 1682 CA GLN A 116 -0.152 13.435 -0.546 1.00 0.00 C ATOM 1683 C GLN A 116 1.204 13.797 -1.154 1.00 0.00 C ATOM 1684 CB GLN A 116 -0.359 14.233 0.752 1.00 0.00 C ATOM 1685 CG GLN A 116 0.875 14.080 1.644 1.00 0.00 C ATOM 1686 CD GLN A 116 1.454 15.461 1.955 1.00 0.00 C ATOM 1687 OE1 GLN A 116 0.723 16.391 2.232 1.00 0.00 O ATOM 1688 NE2 GLN A 116 2.747 15.637 1.921 1.00 0.00 N ATOM 0 H GLN A 116 0.576 11.642 0.352 1.00 0.00 H new ATOM 0 HA GLN A 116 -0.946 13.677 -1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -0.527 15.285 0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -1.246 13.875 1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.607 13.570 2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 116 1.623 13.464 1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.362 14.857 1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 116 3.142 16.554 2.127 1.00 0.00 H new