USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 825 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 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -5.88! C(o=-5.9!,f=-6!) USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= -0.138 (180deg=-0.774) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.533 K(o=-0.53,f=-10!) USER MOD Single : A 12 THR OG1 : rot 62:sc= -2.26! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 146:sc= -1.94 (180deg=-3.69!) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= -1.92! (180deg=-4.06!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0328 (180deg=-0.445) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0887 USER MOD Single : A 34 ASN : amide:sc= -3.19! C(o=-3.2!,f=-10!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -119:sc= -1.19 (180deg=-3.24!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -5.91! C(o=-5.9!,f=-4.4!) USER MOD Single : A 54 ASN : amide:sc= -2.03! X(o=-2!,f=-2.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 59 SER OG : rot -124:sc= -0.782! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.225 K(o=-0.22,f=-0.88) USER MOD Single : A 77 TYR OH : rot -89:sc= 0.205! USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= -0.0191 (180deg=-0.551) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -160:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.25 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0531 USER MOD Single : A 84 ASN : amide:sc= -2.01 K(o=-2,f=-6.4!) USER MOD Single : A 85 THR OG1 : rot -89:sc= 1.29 USER MOD Single : A 87 CYS SG : rot 6:sc= 0.682 USER MOD Single : A 89 THR OG1 : rot -48:sc= 0.0252 USER MOD Single : A 92 ASN : amide:sc= -0.0478 K(o=-0.048,f=-0.62) USER MOD Single : A 93 GLN : amide:sc= -4.31! C(o=-4.3!,f=-4.9!) USER MOD Single : A 97 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.76) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -6.520 10.646 -0.960 1.00 1.00 N ATOM 16 CA ASP A 2 -6.686 10.904 -2.416 1.00 1.00 C ATOM 17 C ASP A 2 -6.159 9.690 -3.185 1.00 1.00 C ATOM 18 O ASP A 2 -4.998 9.349 -3.102 1.00 1.00 O ATOM 19 CB ASP A 2 -5.897 12.160 -2.812 1.00 1.00 C ATOM 20 CG ASP A 2 -6.801 13.391 -2.709 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.848 13.387 -3.336 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.431 14.316 -2.004 1.00 1.00 O ATOM 0 HA ASP A 2 -7.738 11.065 -2.653 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.031 12.277 -2.161 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.519 12.058 -3.829 1.00 1.00 H new ATOM 27 N TRP A 3 -7.008 9.026 -3.916 1.00 1.00 N ATOM 28 CA TRP A 3 -6.566 7.821 -4.675 1.00 1.00 C ATOM 29 C TRP A 3 -5.218 8.093 -5.353 1.00 1.00 C ATOM 30 O TRP A 3 -4.415 7.201 -5.523 1.00 1.00 O ATOM 31 CB TRP A 3 -7.636 7.469 -5.713 1.00 1.00 C ATOM 32 CG TRP A 3 -7.080 6.572 -6.779 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.262 6.763 -8.106 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.276 5.355 -6.649 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.623 5.753 -8.798 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.001 4.862 -7.948 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.762 4.638 -5.549 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.248 3.706 -8.149 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -5.003 3.474 -5.751 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.746 3.010 -7.047 1.00 1.00 C ATOM 0 H TRP A 3 -7.994 9.266 -4.022 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.437 6.979 -3.995 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.476 6.978 -5.222 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.022 8.382 -6.166 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.818 7.575 -8.552 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.612 5.675 -9.815 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.953 4.986 -4.545 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.054 3.351 -9.150 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.615 2.933 -4.901 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.160 2.115 -7.194 1.00 1.00 H new ATOM 51 N GLU A 4 -4.955 9.312 -5.733 1.00 1.00 N ATOM 52 CA GLU A 4 -3.650 9.612 -6.388 1.00 1.00 C ATOM 53 C GLU A 4 -2.513 9.338 -5.402 1.00 1.00 C ATOM 54 O GLU A 4 -1.879 8.304 -5.447 1.00 1.00 O ATOM 55 CB GLU A 4 -3.615 11.081 -6.818 1.00 1.00 C ATOM 56 CG GLU A 4 -4.626 11.309 -7.944 1.00 1.00 C ATOM 57 CD GLU A 4 -4.531 12.757 -8.429 1.00 1.00 C ATOM 58 OE1 GLU A 4 -3.514 13.380 -8.176 1.00 1.00 O ATOM 59 OE2 GLU A 4 -5.479 13.218 -9.044 1.00 1.00 O ATOM 0 H GLU A 4 -5.582 10.109 -5.620 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.530 8.978 -7.267 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -3.848 11.725 -5.970 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.613 11.348 -7.155 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.428 10.624 -8.769 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -5.635 11.098 -7.589 1.00 1.00 H new ATOM 66 N THR A 5 -2.248 10.246 -4.505 1.00 1.00 N ATOM 67 CA THR A 5 -1.150 10.009 -3.526 1.00 1.00 C ATOM 68 C THR A 5 -1.335 8.631 -2.898 1.00 1.00 C ATOM 69 O THR A 5 -0.427 7.826 -2.863 1.00 1.00 O ATOM 70 CB THR A 5 -1.189 11.077 -2.434 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.131 10.849 -1.514 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.530 11.018 -1.699 1.00 1.00 C ATOM 0 H THR A 5 -2.739 11.135 -4.407 1.00 1.00 H new ATOM 0 HA THR A 5 -0.188 10.058 -4.037 1.00 1.00 H new ATOM 0 HB THR A 5 -1.073 12.062 -2.887 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.153 11.534 -0.814 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.553 11.782 -0.921 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.340 11.196 -2.406 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.653 10.035 -1.245 1.00 1.00 H new ATOM 80 N PHE A 6 -2.513 8.345 -2.418 1.00 1.00 N ATOM 81 CA PHE A 6 -2.759 7.012 -1.811 1.00 1.00 C ATOM 82 C PHE A 6 -2.238 5.937 -2.767 1.00 1.00 C ATOM 83 O PHE A 6 -1.899 4.844 -2.368 1.00 1.00 O ATOM 84 CB PHE A 6 -4.262 6.825 -1.586 1.00 1.00 C ATOM 85 CG PHE A 6 -4.498 5.703 -0.603 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.545 5.970 0.771 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.669 4.394 -1.067 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.765 4.928 1.679 1.00 1.00 C ATOM 89 CE2 PHE A 6 -4.888 3.352 -0.160 1.00 1.00 C ATOM 90 CZ PHE A 6 -4.936 3.618 1.213 1.00 1.00 C ATOM 0 H PHE A 6 -3.314 8.977 -2.421 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.245 6.933 -0.853 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.700 7.749 -1.209 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.755 6.601 -2.532 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.411 6.980 1.130 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -4.632 4.188 -2.127 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.803 5.134 2.739 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.020 2.342 -0.519 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.105 2.813 1.913 1.00 1.00 H new ATOM 100 N GLN A 7 -2.160 6.250 -4.033 1.00 1.00 N ATOM 101 CA GLN A 7 -1.648 5.257 -5.017 1.00 1.00 C ATOM 102 C GLN A 7 -0.133 5.422 -5.149 1.00 1.00 C ATOM 103 O GLN A 7 0.559 4.550 -5.635 1.00 1.00 O ATOM 104 CB GLN A 7 -2.309 5.492 -6.381 1.00 1.00 C ATOM 105 CG GLN A 7 -1.789 4.471 -7.398 1.00 1.00 C ATOM 106 CD GLN A 7 -0.462 4.954 -7.985 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.519 4.236 -7.970 1.00 1.00 O ATOM 108 NE2 GLN A 7 -0.388 6.147 -8.508 1.00 1.00 N ATOM 0 H GLN A 7 -2.429 7.152 -4.427 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.882 4.249 -4.675 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.392 5.407 -6.289 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -2.097 6.503 -6.728 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.653 3.502 -6.917 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.520 4.332 -8.194 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -1.211 6.750 -8.521 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.492 6.477 -8.904 1.00 1.00 H new ATOM 117 N LYS A 8 0.384 6.550 -4.742 1.00 1.00 N ATOM 118 CA LYS A 8 1.851 6.790 -4.871 1.00 1.00 C ATOM 119 C LYS A 8 2.608 6.305 -3.626 1.00 1.00 C ATOM 120 O LYS A 8 3.622 5.644 -3.732 1.00 1.00 O ATOM 121 CB LYS A 8 2.091 8.292 -5.051 1.00 1.00 C ATOM 122 CG LYS A 8 1.227 8.823 -6.205 1.00 1.00 C ATOM 123 CD LYS A 8 1.984 8.673 -7.528 1.00 1.00 C ATOM 124 CE LYS A 8 1.090 9.128 -8.684 1.00 1.00 C ATOM 125 NZ LYS A 8 0.577 10.499 -8.406 1.00 1.00 N ATOM 0 H LYS A 8 -0.146 7.316 -4.326 1.00 1.00 H new ATOM 0 HA LYS A 8 2.220 6.233 -5.732 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.848 8.821 -4.130 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.145 8.479 -5.258 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.286 8.275 -6.249 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.978 9.870 -6.034 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.898 9.267 -7.506 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.283 7.635 -7.672 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.653 9.121 -9.617 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.258 8.435 -8.809 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.505 11.030 -9.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -0.362 10.435 -7.964 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.230 10.990 -7.762 1.00 1.00 H new ATOM 139 N LYS A 9 2.155 6.653 -2.451 1.00 1.00 N ATOM 140 CA LYS A 9 2.890 6.236 -1.217 1.00 1.00 C ATOM 141 C LYS A 9 2.459 4.840 -0.739 1.00 1.00 C ATOM 142 O LYS A 9 3.276 4.060 -0.292 1.00 1.00 O ATOM 143 CB LYS A 9 2.628 7.254 -0.102 1.00 1.00 C ATOM 144 CG LYS A 9 1.134 7.576 -0.032 1.00 1.00 C ATOM 145 CD LYS A 9 0.858 8.451 1.193 1.00 1.00 C ATOM 146 CE LYS A 9 -0.649 8.689 1.326 1.00 1.00 C ATOM 147 NZ LYS A 9 -0.888 9.868 2.204 1.00 1.00 N ATOM 0 H LYS A 9 1.312 7.205 -2.291 1.00 1.00 H new ATOM 0 HA LYS A 9 3.952 6.197 -1.458 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.968 6.855 0.854 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.197 8.165 -0.288 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.819 8.092 -0.939 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.555 6.655 0.028 1.00 1.00 H new ATOM 0 HD2 LYS A 9 1.241 7.967 2.092 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.380 9.403 1.097 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -1.090 8.858 0.344 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.132 7.806 1.744 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -1.911 10.031 2.295 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -0.481 9.689 3.144 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -0.439 10.708 1.787 1.00 1.00 H new ATOM 161 N HIS A 10 1.194 4.520 -0.792 1.00 1.00 N ATOM 162 CA HIS A 10 0.754 3.179 -0.295 1.00 1.00 C ATOM 163 C HIS A 10 0.849 2.119 -1.393 1.00 1.00 C ATOM 164 O HIS A 10 0.678 0.953 -1.126 1.00 1.00 O ATOM 165 CB HIS A 10 -0.692 3.257 0.195 1.00 1.00 C ATOM 166 CG HIS A 10 -0.777 4.205 1.360 1.00 1.00 C ATOM 167 ND1 HIS A 10 -1.978 4.492 1.993 1.00 1.00 N ATOM 168 CD2 HIS A 10 0.180 4.937 2.018 1.00 1.00 C ATOM 169 CE1 HIS A 10 -1.715 5.364 2.984 1.00 1.00 C ATOM 170 NE2 HIS A 10 -0.417 5.665 3.041 1.00 1.00 N ATOM 0 H HIS A 10 0.452 5.119 -1.153 1.00 1.00 H new ATOM 0 HA HIS A 10 1.415 2.894 0.523 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.343 3.596 -0.611 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.041 2.268 0.491 1.00 1.00 H new ATOM 0 HD1 HIS A 10 -2.893 4.112 1.751 1.00 1.00 H new ATOM 0 HD2 HIS A 10 1.233 4.946 1.778 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -2.462 5.769 3.650 1.00 1.00 H new ATOM 179 N LEU A 11 1.109 2.494 -2.618 1.00 1.00 N ATOM 180 CA LEU A 11 1.195 1.465 -3.706 1.00 1.00 C ATOM 181 C LEU A 11 2.510 1.614 -4.470 1.00 1.00 C ATOM 182 O LEU A 11 3.062 2.692 -4.575 1.00 1.00 O ATOM 183 CB LEU A 11 0.025 1.657 -4.683 1.00 1.00 C ATOM 184 CG LEU A 11 -1.106 0.677 -4.355 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.778 1.074 -3.037 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.144 0.705 -5.475 1.00 1.00 C ATOM 0 H LEU A 11 1.265 3.458 -2.914 1.00 1.00 H new ATOM 0 HA LEU A 11 1.150 0.473 -3.258 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.343 2.681 -4.624 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.367 1.500 -5.706 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.690 -0.326 -4.260 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.581 0.372 -2.812 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.042 1.054 -2.233 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.190 2.079 -3.127 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.949 0.008 -5.242 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.551 1.712 -5.569 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.673 0.415 -6.415 1.00 1.00 H new ATOM 198 N THR A 12 3.001 0.535 -5.022 1.00 1.00 N ATOM 199 CA THR A 12 4.271 0.603 -5.807 1.00 1.00 C ATOM 200 C THR A 12 4.102 -0.199 -7.099 1.00 1.00 C ATOM 201 O THR A 12 3.007 -0.582 -7.457 1.00 1.00 O ATOM 202 CB THR A 12 5.431 0.028 -4.990 1.00 1.00 C ATOM 203 OG1 THR A 12 6.560 -0.123 -5.839 1.00 1.00 O ATOM 204 CG2 THR A 12 5.048 -1.337 -4.401 1.00 1.00 C ATOM 0 H THR A 12 2.578 -0.391 -4.963 1.00 1.00 H new ATOM 0 HA THR A 12 4.494 1.644 -6.043 1.00 1.00 H new ATOM 0 HB THR A 12 5.664 0.708 -4.170 1.00 1.00 H new ATOM 0 HG1 THR A 12 6.832 0.754 -6.181 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.884 -1.731 -3.823 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.180 -1.222 -3.752 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.808 -2.028 -5.209 1.00 1.00 H new ATOM 212 N ASP A 13 5.174 -0.444 -7.809 1.00 1.00 N ATOM 213 CA ASP A 13 5.066 -1.208 -9.089 1.00 1.00 C ATOM 214 C ASP A 13 5.907 -2.487 -9.025 1.00 1.00 C ATOM 215 O ASP A 13 6.136 -3.129 -10.031 1.00 1.00 O ATOM 216 CB ASP A 13 5.568 -0.333 -10.239 1.00 1.00 C ATOM 217 CG ASP A 13 4.634 0.866 -10.415 1.00 1.00 C ATOM 218 OD1 ASP A 13 3.543 0.672 -10.924 1.00 1.00 O ATOM 219 OD2 ASP A 13 5.025 1.957 -10.036 1.00 1.00 O ATOM 0 H ASP A 13 6.118 -0.149 -7.558 1.00 1.00 H new ATOM 0 HA ASP A 13 4.023 -1.481 -9.250 1.00 1.00 H new ATOM 0 HB2 ASP A 13 6.582 0.010 -10.033 1.00 1.00 H new ATOM 0 HB3 ASP A 13 5.609 -0.914 -11.161 1.00 1.00 H new ATOM 224 N THR A 14 6.373 -2.871 -7.866 1.00 1.00 N ATOM 225 CA THR A 14 7.197 -4.113 -7.786 1.00 1.00 C ATOM 226 C THR A 14 7.048 -4.755 -6.407 1.00 1.00 C ATOM 227 O THR A 14 6.789 -4.089 -5.423 1.00 1.00 O ATOM 228 CB THR A 14 8.666 -3.764 -8.028 1.00 1.00 C ATOM 229 OG1 THR A 14 9.437 -4.957 -8.050 1.00 1.00 O ATOM 230 CG2 THR A 14 9.163 -2.854 -6.905 1.00 1.00 C ATOM 0 H THR A 14 6.222 -2.386 -6.982 1.00 1.00 H new ATOM 0 HA THR A 14 6.855 -4.817 -8.545 1.00 1.00 H new ATOM 0 HB THR A 14 8.767 -3.249 -8.984 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.379 -4.735 -8.207 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.210 -2.604 -7.076 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.570 -1.940 -6.888 1.00 1.00 H new ATOM 0 HG23 THR A 14 9.064 -3.368 -5.949 1.00 1.00 H new ATOM 238 N LYS A 15 7.219 -6.048 -6.327 1.00 1.00 N ATOM 239 CA LYS A 15 7.098 -6.739 -5.013 1.00 1.00 C ATOM 240 C LYS A 15 8.343 -6.439 -4.177 1.00 1.00 C ATOM 241 O LYS A 15 8.336 -6.559 -2.968 1.00 1.00 O ATOM 242 CB LYS A 15 6.985 -8.248 -5.238 1.00 1.00 C ATOM 243 CG LYS A 15 8.219 -8.747 -5.994 1.00 1.00 C ATOM 244 CD LYS A 15 7.942 -10.140 -6.567 1.00 1.00 C ATOM 245 CE LYS A 15 7.425 -11.059 -5.458 1.00 1.00 C ATOM 246 NZ LYS A 15 7.556 -12.480 -5.890 1.00 1.00 N ATOM 0 H LYS A 15 7.438 -6.655 -7.117 1.00 1.00 H new ATOM 0 HA LYS A 15 6.209 -6.386 -4.491 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.899 -8.763 -4.281 1.00 1.00 H new ATOM 0 HB3 LYS A 15 6.082 -8.475 -5.805 1.00 1.00 H new ATOM 0 HG2 LYS A 15 8.470 -8.055 -6.798 1.00 1.00 H new ATOM 0 HG3 LYS A 15 9.078 -8.782 -5.325 1.00 1.00 H new ATOM 0 HD2 LYS A 15 7.208 -10.074 -7.370 1.00 1.00 H new ATOM 0 HD3 LYS A 15 8.853 -10.553 -7.000 1.00 1.00 H new ATOM 0 HE2 LYS A 15 7.990 -10.893 -4.540 1.00 1.00 H new ATOM 0 HE3 LYS A 15 6.383 -10.829 -5.237 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 7.205 -13.106 -5.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 6.999 -12.633 -6.755 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 8.556 -12.694 -6.080 1.00 1.00 H new ATOM 260 N LYS A 16 9.410 -6.045 -4.819 1.00 1.00 N ATOM 261 CA LYS A 16 10.668 -5.724 -4.081 1.00 1.00 C ATOM 262 C LYS A 16 10.983 -4.238 -4.264 1.00 1.00 C ATOM 263 O LYS A 16 11.973 -3.871 -4.864 1.00 1.00 O ATOM 264 CB LYS A 16 11.818 -6.561 -4.646 1.00 1.00 C ATOM 265 CG LYS A 16 11.761 -6.547 -6.177 1.00 1.00 C ATOM 266 CD LYS A 16 12.903 -7.396 -6.748 1.00 1.00 C ATOM 267 CE LYS A 16 14.208 -6.593 -6.739 1.00 1.00 C ATOM 268 NZ LYS A 16 15.235 -7.312 -7.544 1.00 1.00 N ATOM 0 H LYS A 16 9.465 -5.931 -5.831 1.00 1.00 H new ATOM 0 HA LYS A 16 10.544 -5.950 -3.022 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.773 -6.162 -4.304 1.00 1.00 H new ATOM 0 HB3 LYS A 16 11.750 -7.585 -4.279 1.00 1.00 H new ATOM 0 HG2 LYS A 16 10.801 -6.936 -6.518 1.00 1.00 H new ATOM 0 HG3 LYS A 16 11.838 -5.523 -6.543 1.00 1.00 H new ATOM 0 HD2 LYS A 16 13.022 -8.305 -6.158 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.664 -7.705 -7.765 1.00 1.00 H new ATOM 0 HE2 LYS A 16 14.039 -5.598 -7.150 1.00 1.00 H new ATOM 0 HE3 LYS A 16 14.559 -6.460 -5.716 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 16.122 -6.769 -7.540 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 15.403 -8.252 -7.133 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 14.898 -7.417 -8.522 1.00 1.00 H new ATOM 282 N VAL A 17 10.139 -3.379 -3.759 1.00 1.00 N ATOM 283 CA VAL A 17 10.383 -1.918 -3.913 1.00 1.00 C ATOM 284 C VAL A 17 11.785 -1.571 -3.452 1.00 1.00 C ATOM 285 O VAL A 17 12.469 -2.364 -2.837 1.00 1.00 O ATOM 286 CB VAL A 17 9.393 -1.129 -3.059 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.979 -1.419 -3.534 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.541 -1.540 -1.592 1.00 1.00 C ATOM 0 H VAL A 17 9.292 -3.627 -3.247 1.00 1.00 H new ATOM 0 HA VAL A 17 10.260 -1.662 -4.965 1.00 1.00 H new ATOM 0 HB VAL A 17 9.596 -0.062 -3.154 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.269 -0.858 -2.927 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.878 -1.122 -4.578 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.775 -2.485 -3.438 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.834 -0.976 -0.983 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.338 -2.606 -1.491 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.557 -1.331 -1.256 1.00 1.00 H new ATOM 298 N LYS A 18 12.203 -0.372 -3.726 1.00 1.00 N ATOM 299 CA LYS A 18 13.549 0.062 -3.287 1.00 1.00 C ATOM 300 C LYS A 18 13.387 0.834 -1.983 1.00 1.00 C ATOM 301 O LYS A 18 13.604 2.026 -1.922 1.00 1.00 O ATOM 302 CB LYS A 18 14.178 0.960 -4.356 1.00 1.00 C ATOM 303 CG LYS A 18 13.097 1.840 -4.985 1.00 1.00 C ATOM 304 CD LYS A 18 13.744 2.859 -5.928 1.00 1.00 C ATOM 305 CE LYS A 18 14.420 2.131 -7.094 1.00 1.00 C ATOM 306 NZ LYS A 18 14.592 3.075 -8.234 1.00 1.00 N ATOM 0 H LYS A 18 11.667 0.329 -4.238 1.00 1.00 H new ATOM 0 HA LYS A 18 14.200 -0.799 -3.137 1.00 1.00 H new ATOM 0 HB2 LYS A 18 14.955 1.582 -3.912 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.657 0.350 -5.122 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.386 1.223 -5.534 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.536 2.356 -4.206 1.00 1.00 H new ATOM 0 HD2 LYS A 18 12.989 3.548 -6.306 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.477 3.456 -5.386 1.00 1.00 H new ATOM 0 HE2 LYS A 18 15.389 1.741 -6.781 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.817 1.277 -7.403 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 15.051 2.582 -9.027 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.661 3.427 -8.537 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 15.184 3.876 -7.935 1.00 1.00 H new ATOM 320 N CYS A 19 12.979 0.154 -0.947 1.00 1.00 N ATOM 321 CA CYS A 19 12.764 0.814 0.372 1.00 1.00 C ATOM 322 C CYS A 19 13.763 1.959 0.580 1.00 1.00 C ATOM 323 O CYS A 19 13.426 3.002 1.109 1.00 1.00 O ATOM 324 CB CYS A 19 12.950 -0.218 1.482 1.00 1.00 C ATOM 325 SG CYS A 19 11.518 -1.322 1.522 1.00 1.00 S ATOM 0 H CYS A 19 12.782 -0.847 -0.959 1.00 1.00 H new ATOM 0 HA CYS A 19 11.754 1.224 0.397 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.861 -0.792 1.311 1.00 1.00 H new ATOM 0 HB3 CYS A 19 13.064 0.282 2.444 1.00 1.00 H new ATOM 330 N ASP A 20 14.990 1.773 0.171 1.00 1.00 N ATOM 331 CA ASP A 20 16.010 2.844 0.353 1.00 1.00 C ATOM 332 C ASP A 20 15.427 4.182 -0.101 1.00 1.00 C ATOM 333 O ASP A 20 15.605 5.201 0.539 1.00 1.00 O ATOM 334 CB ASP A 20 17.251 2.514 -0.480 1.00 1.00 C ATOM 335 CG ASP A 20 18.227 3.691 -0.437 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.064 4.600 -1.236 1.00 1.00 O ATOM 337 OD2 ASP A 20 19.121 3.664 0.393 1.00 1.00 O ATOM 0 H ASP A 20 15.329 0.924 -0.282 1.00 1.00 H new ATOM 0 HA ASP A 20 16.289 2.908 1.405 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.732 1.616 -0.094 1.00 1.00 H new ATOM 0 HB3 ASP A 20 16.964 2.304 -1.510 1.00 1.00 H new ATOM 342 N VAL A 21 14.717 4.178 -1.193 1.00 1.00 N ATOM 343 CA VAL A 21 14.101 5.435 -1.695 1.00 1.00 C ATOM 344 C VAL A 21 12.605 5.413 -1.372 1.00 1.00 C ATOM 345 O VAL A 21 12.011 6.431 -1.078 1.00 1.00 O ATOM 346 CB VAL A 21 14.304 5.522 -3.210 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.245 6.984 -3.664 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.669 4.934 -3.573 1.00 1.00 C ATOM 0 H VAL A 21 14.536 3.352 -1.763 1.00 1.00 H new ATOM 0 HA VAL A 21 14.565 6.300 -1.220 1.00 1.00 H new ATOM 0 HB VAL A 21 13.515 4.960 -3.709 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.390 7.036 -4.743 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.273 7.406 -3.408 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.030 7.552 -3.164 1.00 1.00 H new ATOM 0 HG21 VAL A 21 15.816 4.995 -4.651 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.454 5.497 -3.067 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.711 3.891 -3.259 1.00 1.00 H new ATOM 358 N GLU A 22 11.997 4.255 -1.398 1.00 1.00 N ATOM 359 CA GLU A 22 10.546 4.172 -1.070 1.00 1.00 C ATOM 360 C GLU A 22 10.335 4.759 0.328 1.00 1.00 C ATOM 361 O GLU A 22 9.225 4.893 0.803 1.00 1.00 O ATOM 362 CB GLU A 22 10.090 2.704 -1.102 1.00 1.00 C ATOM 363 CG GLU A 22 8.828 2.570 -1.960 1.00 1.00 C ATOM 364 CD GLU A 22 9.176 2.835 -3.426 1.00 1.00 C ATOM 365 OE1 GLU A 22 10.001 2.110 -3.958 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.613 3.757 -3.991 1.00 1.00 O ATOM 0 H GLU A 22 12.442 3.367 -1.631 1.00 1.00 H new ATOM 0 HA GLU A 22 9.961 4.732 -1.800 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.884 2.076 -1.506 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.891 2.354 -0.089 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.406 1.571 -1.850 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.069 3.276 -1.622 1.00 1.00 H new ATOM 373 N MET A 23 11.411 5.108 0.982 1.00 1.00 N ATOM 374 CA MET A 23 11.320 5.693 2.352 1.00 1.00 C ATOM 375 C MET A 23 12.142 6.981 2.402 1.00 1.00 C ATOM 376 O MET A 23 11.699 7.994 2.903 1.00 1.00 O ATOM 377 CB MET A 23 11.892 4.702 3.368 1.00 1.00 C ATOM 378 CG MET A 23 10.958 3.500 3.512 1.00 1.00 C ATOM 379 SD MET A 23 11.302 2.663 5.080 1.00 1.00 S ATOM 380 CE MET A 23 10.691 3.959 6.187 1.00 1.00 C ATOM 0 H MET A 23 12.360 5.011 0.621 1.00 1.00 H new ATOM 0 HA MET A 23 10.277 5.904 2.589 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.879 4.369 3.047 1.00 1.00 H new ATOM 0 HB3 MET A 23 12.019 5.192 4.334 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.918 3.826 3.481 1.00 1.00 H new ATOM 0 HG3 MET A 23 11.101 2.811 2.679 1.00 1.00 H new ATOM 0 HE1 MET A 23 10.247 3.502 7.072 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.519 4.602 6.487 1.00 1.00 H new ATOM 0 HE3 MET A 23 9.939 4.554 5.670 1.00 1.00 H new ATOM 390 N ALA A 24 13.342 6.947 1.890 1.00 1.00 N ATOM 391 CA ALA A 24 14.193 8.167 1.912 1.00 1.00 C ATOM 392 C ALA A 24 13.627 9.198 0.934 1.00 1.00 C ATOM 393 O ALA A 24 14.215 10.234 0.697 1.00 1.00 O ATOM 394 CB ALA A 24 15.621 7.798 1.508 1.00 1.00 C ATOM 0 H ALA A 24 13.768 6.127 1.458 1.00 1.00 H new ATOM 0 HA ALA A 24 14.202 8.591 2.916 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.246 8.691 1.524 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.019 7.064 2.209 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.617 7.375 0.503 1.00 1.00 H new ATOM 400 N LYS A 25 12.484 8.919 0.365 1.00 1.00 N ATOM 401 CA LYS A 25 11.867 9.879 -0.598 1.00 1.00 C ATOM 402 C LYS A 25 11.794 11.267 0.045 1.00 1.00 C ATOM 403 O LYS A 25 12.369 11.517 1.085 1.00 1.00 O ATOM 404 CB LYS A 25 10.442 9.416 -0.934 1.00 1.00 C ATOM 405 CG LYS A 25 10.444 8.540 -2.197 1.00 1.00 C ATOM 406 CD LYS A 25 9.482 7.367 -2.004 1.00 1.00 C ATOM 407 CE LYS A 25 8.046 7.890 -1.957 1.00 1.00 C ATOM 408 NZ LYS A 25 7.742 8.628 -3.215 1.00 1.00 N ATOM 0 H LYS A 25 11.949 8.065 0.526 1.00 1.00 H new ATOM 0 HA LYS A 25 12.470 9.920 -1.505 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.029 8.855 -0.096 1.00 1.00 H new ATOM 0 HB3 LYS A 25 9.798 10.282 -1.086 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.145 9.131 -3.063 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.450 8.171 -2.395 1.00 1.00 H new ATOM 0 HD2 LYS A 25 9.594 6.653 -2.820 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.718 6.837 -1.081 1.00 1.00 H new ATOM 0 HE2 LYS A 25 7.350 7.060 -1.833 1.00 1.00 H new ATOM 0 HE3 LYS A 25 7.915 8.547 -1.097 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 6.715 8.629 -3.377 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.081 9.608 -3.133 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 8.218 8.163 -4.014 1.00 1.00 H new ATOM 422 N ALA A 26 11.072 12.168 -0.566 1.00 1.00 N ATOM 423 CA ALA A 26 10.936 13.537 0.002 1.00 1.00 C ATOM 424 C ALA A 26 9.597 13.647 0.735 1.00 1.00 C ATOM 425 O ALA A 26 9.363 14.579 1.478 1.00 1.00 O ATOM 426 CB ALA A 26 10.981 14.563 -1.131 1.00 1.00 C ATOM 0 H ALA A 26 10.568 12.012 -1.439 1.00 1.00 H new ATOM 0 HA ALA A 26 11.752 13.729 0.699 1.00 1.00 H new ATOM 0 HB1 ALA A 26 10.882 15.567 -0.717 1.00 1.00 H new ATOM 0 HB2 ALA A 26 11.931 14.481 -1.659 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.162 14.374 -1.826 1.00 1.00 H new ATOM 432 N LEU A 27 8.713 12.700 0.533 1.00 1.00 N ATOM 433 CA LEU A 27 7.389 12.756 1.222 1.00 1.00 C ATOM 434 C LEU A 27 7.415 11.843 2.449 1.00 1.00 C ATOM 435 O LEU A 27 6.448 11.739 3.178 1.00 1.00 O ATOM 436 CB LEU A 27 6.284 12.304 0.258 1.00 1.00 C ATOM 437 CG LEU A 27 6.439 10.806 -0.074 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.450 9.977 0.754 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.156 10.579 -1.564 1.00 1.00 C ATOM 0 H LEU A 27 8.852 11.894 -0.077 1.00 1.00 H new ATOM 0 HA LEU A 27 7.187 13.779 1.539 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.306 12.485 0.705 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.329 12.893 -0.658 1.00 1.00 H new ATOM 0 HG LEU A 27 7.457 10.497 0.163 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.568 8.921 0.512 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.646 10.130 1.815 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.431 10.290 0.525 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.266 9.520 -1.798 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.139 10.898 -1.794 1.00 1.00 H new ATOM 0 HD23 LEU A 27 6.861 11.157 -2.161 1.00 1.00 H new ATOM 451 N PHE A 28 8.522 11.189 2.687 1.00 1.00 N ATOM 452 CA PHE A 28 8.628 10.285 3.875 1.00 1.00 C ATOM 453 C PHE A 28 9.704 10.825 4.824 1.00 1.00 C ATOM 454 O PHE A 28 9.531 10.840 6.024 1.00 1.00 O ATOM 455 CB PHE A 28 9.019 8.874 3.414 1.00 1.00 C ATOM 456 CG PHE A 28 7.781 8.067 3.088 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.823 7.817 4.079 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.594 7.562 1.795 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.681 7.066 3.778 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.451 6.811 1.493 1.00 1.00 C ATOM 461 CZ PHE A 28 5.495 6.563 2.484 1.00 1.00 C ATOM 0 H PHE A 28 9.361 11.241 2.109 1.00 1.00 H new ATOM 0 HA PHE A 28 7.668 10.245 4.390 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.663 8.936 2.537 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.592 8.374 4.195 1.00 1.00 H new ATOM 0 HD1 PHE A 28 6.966 8.204 5.077 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.332 7.752 1.030 1.00 1.00 H new ATOM 0 HE1 PHE A 28 4.943 6.874 4.543 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.308 6.423 0.495 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.614 5.984 2.251 1.00 1.00 H new ATOM 471 N ASP A 29 10.811 11.269 4.293 1.00 1.00 N ATOM 472 CA ASP A 29 11.901 11.810 5.158 1.00 1.00 C ATOM 473 C ASP A 29 12.618 10.660 5.875 1.00 1.00 C ATOM 474 O ASP A 29 13.014 10.780 7.017 1.00 1.00 O ATOM 475 CB ASP A 29 11.314 12.778 6.195 1.00 1.00 C ATOM 476 CG ASP A 29 10.131 13.531 5.582 1.00 1.00 C ATOM 477 OD1 ASP A 29 10.105 13.666 4.370 1.00 1.00 O ATOM 478 OD2 ASP A 29 9.272 13.960 6.335 1.00 1.00 O ATOM 0 H ASP A 29 11.009 11.281 3.292 1.00 1.00 H new ATOM 0 HA ASP A 29 12.616 12.345 4.533 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.990 12.228 7.078 1.00 1.00 H new ATOM 0 HB3 ASP A 29 12.078 13.484 6.522 1.00 1.00 H new ATOM 483 N CYS A 30 12.802 9.552 5.208 1.00 1.00 N ATOM 484 CA CYS A 30 13.511 8.401 5.843 1.00 1.00 C ATOM 485 C CYS A 30 12.848 8.037 7.177 1.00 1.00 C ATOM 486 O CYS A 30 13.414 8.240 8.234 1.00 1.00 O ATOM 487 CB CYS A 30 14.972 8.789 6.091 1.00 1.00 C ATOM 488 SG CYS A 30 15.889 7.350 6.693 1.00 1.00 S ATOM 0 H CYS A 30 12.492 9.393 4.249 1.00 1.00 H new ATOM 0 HA CYS A 30 13.460 7.539 5.178 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.422 9.160 5.170 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.025 9.598 6.820 1.00 1.00 H new ATOM 493 N LYS A 31 11.659 7.495 7.142 1.00 1.00 N ATOM 494 CA LYS A 31 10.976 7.113 8.415 1.00 1.00 C ATOM 495 C LYS A 31 11.686 5.905 9.032 1.00 1.00 C ATOM 496 O LYS A 31 12.884 5.743 8.907 1.00 1.00 O ATOM 497 CB LYS A 31 9.518 6.736 8.132 1.00 1.00 C ATOM 498 CG LYS A 31 8.825 7.835 7.317 1.00 1.00 C ATOM 499 CD LYS A 31 8.817 9.165 8.082 1.00 1.00 C ATOM 500 CE LYS A 31 8.261 8.965 9.496 1.00 1.00 C ATOM 501 NZ LYS A 31 7.740 10.263 10.010 1.00 1.00 N ATOM 0 H LYS A 31 11.132 7.301 6.291 1.00 1.00 H new ATOM 0 HA LYS A 31 11.009 7.958 9.102 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.480 5.793 7.587 1.00 1.00 H new ATOM 0 HB3 LYS A 31 8.987 6.583 9.072 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.337 7.963 6.363 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.802 7.535 7.092 1.00 1.00 H new ATOM 0 HD2 LYS A 31 9.829 9.567 8.136 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.212 9.896 7.546 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.465 8.220 9.484 1.00 1.00 H new ATOM 0 HE3 LYS A 31 9.042 8.587 10.156 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 7.362 10.130 10.970 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 8.511 10.961 10.035 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 6.983 10.605 9.384 1.00 1.00 H new ATOM 515 N LYS A 32 10.946 5.054 9.696 1.00 1.00 N ATOM 516 CA LYS A 32 11.552 3.845 10.329 1.00 1.00 C ATOM 517 C LYS A 32 10.791 2.602 9.851 1.00 1.00 C ATOM 518 O LYS A 32 11.324 1.511 9.812 1.00 1.00 O ATOM 519 CB LYS A 32 11.444 3.972 11.856 1.00 1.00 C ATOM 520 CG LYS A 32 11.436 2.582 12.499 1.00 1.00 C ATOM 521 CD LYS A 32 11.817 2.696 13.977 1.00 1.00 C ATOM 522 CE LYS A 32 11.892 1.298 14.594 1.00 1.00 C ATOM 523 NZ LYS A 32 10.548 0.656 14.535 1.00 1.00 N ATOM 0 H LYS A 32 9.939 5.147 9.827 1.00 1.00 H new ATOM 0 HA LYS A 32 12.602 3.756 10.050 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.281 4.555 12.241 1.00 1.00 H new ATOM 0 HB3 LYS A 32 10.533 4.509 12.121 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.448 2.131 12.402 1.00 1.00 H new ATOM 0 HG3 LYS A 32 12.138 1.927 11.982 1.00 1.00 H new ATOM 0 HD2 LYS A 32 12.777 3.202 14.078 1.00 1.00 H new ATOM 0 HD3 LYS A 32 11.081 3.300 14.508 1.00 1.00 H new ATOM 0 HE2 LYS A 32 12.621 0.691 14.057 1.00 1.00 H new ATOM 0 HE3 LYS A 32 12.231 1.363 15.628 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.519 -0.149 15.192 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 9.820 1.349 14.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 10.366 0.320 13.568 1.00 1.00 H new ATOM 537 N THR A 33 9.549 2.764 9.483 1.00 1.00 N ATOM 538 CA THR A 33 8.746 1.603 8.999 1.00 1.00 C ATOM 539 C THR A 33 7.901 2.052 7.807 1.00 1.00 C ATOM 540 O THR A 33 7.417 3.166 7.767 1.00 1.00 O ATOM 541 CB THR A 33 7.829 1.112 10.121 1.00 1.00 C ATOM 542 OG1 THR A 33 8.592 0.920 11.305 1.00 1.00 O ATOM 543 CG2 THR A 33 7.179 -0.210 9.710 1.00 1.00 C ATOM 0 H THR A 33 9.053 3.655 9.497 1.00 1.00 H new ATOM 0 HA THR A 33 9.409 0.792 8.699 1.00 1.00 H new ATOM 0 HB THR A 33 7.052 1.854 10.306 1.00 1.00 H new ATOM 0 HG1 THR A 33 8.005 0.607 12.025 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.526 -0.559 10.510 1.00 1.00 H new ATOM 0 HG22 THR A 33 6.593 -0.061 8.803 1.00 1.00 H new ATOM 0 HG23 THR A 33 7.954 -0.954 9.524 1.00 1.00 H new ATOM 551 N ASN A 34 7.723 1.204 6.830 1.00 1.00 N ATOM 552 CA ASN A 34 6.912 1.609 5.644 1.00 1.00 C ATOM 553 C ASN A 34 6.212 0.390 5.044 1.00 1.00 C ATOM 554 O ASN A 34 6.715 -0.715 5.087 1.00 1.00 O ATOM 555 CB ASN A 34 7.834 2.232 4.593 1.00 1.00 C ATOM 556 CG ASN A 34 7.031 3.177 3.695 1.00 1.00 C ATOM 557 OD1 ASN A 34 6.076 2.769 3.065 1.00 1.00 O ATOM 558 ND2 ASN A 34 7.382 4.431 3.609 1.00 1.00 N ATOM 0 H ASN A 34 8.100 0.257 6.800 1.00 1.00 H new ATOM 0 HA ASN A 34 6.159 2.333 5.956 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.641 2.778 5.081 1.00 1.00 H new ATOM 0 HB3 ASN A 34 8.297 1.449 3.992 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.854 5.069 3.013 1.00 1.00 H new ATOM 0 HD22 ASN A 34 8.184 4.774 4.138 1.00 1.00 H new ATOM 565 N THR A 35 5.054 0.590 4.477 1.00 1.00 N ATOM 566 CA THR A 35 4.308 -0.542 3.859 1.00 1.00 C ATOM 567 C THR A 35 3.666 -0.069 2.554 1.00 1.00 C ATOM 568 O THR A 35 3.373 1.098 2.384 1.00 1.00 O ATOM 569 CB THR A 35 3.218 -1.019 4.823 1.00 1.00 C ATOM 570 OG1 THR A 35 3.824 -1.606 5.967 1.00 1.00 O ATOM 571 CG2 THR A 35 2.331 -2.052 4.127 1.00 1.00 C ATOM 0 H THR A 35 4.589 1.496 4.415 1.00 1.00 H new ATOM 0 HA THR A 35 4.993 -1.364 3.652 1.00 1.00 H new ATOM 0 HB THR A 35 2.608 -0.169 5.129 1.00 1.00 H new ATOM 0 HG1 THR A 35 3.128 -1.910 6.586 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.556 -2.389 4.816 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.866 -1.601 3.251 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.938 -2.903 3.818 1.00 1.00 H new ATOM 579 N PHE A 36 3.430 -0.966 1.638 1.00 1.00 N ATOM 580 CA PHE A 36 2.788 -0.567 0.349 1.00 1.00 C ATOM 581 C PHE A 36 2.022 -1.769 -0.197 1.00 1.00 C ATOM 582 O PHE A 36 2.037 -2.828 0.391 1.00 1.00 O ATOM 583 CB PHE A 36 3.840 -0.125 -0.682 1.00 1.00 C ATOM 584 CG PHE A 36 5.092 0.375 0.002 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.885 -0.508 0.739 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.470 1.718 -0.120 1.00 1.00 C ATOM 587 CE1 PHE A 36 7.056 -0.054 1.354 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.639 2.175 0.497 1.00 1.00 C ATOM 589 CZ PHE A 36 7.433 1.288 1.233 1.00 1.00 C ATOM 0 H PHE A 36 3.653 -1.958 1.723 1.00 1.00 H new ATOM 0 HA PHE A 36 2.118 0.273 0.530 1.00 1.00 H new ATOM 0 HB2 PHE A 36 4.088 -0.961 -1.336 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.427 0.662 -1.314 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.593 -1.543 0.834 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.858 2.401 -0.691 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.669 -0.739 1.922 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.929 3.211 0.406 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.337 1.640 1.708 1.00 1.00 H new ATOM 599 N ILE A 37 1.345 -1.617 -1.308 1.00 1.00 N ATOM 600 CA ILE A 37 0.570 -2.755 -1.879 1.00 1.00 C ATOM 601 C ILE A 37 1.013 -3.008 -3.321 1.00 1.00 C ATOM 602 O ILE A 37 1.139 -2.091 -4.118 1.00 1.00 O ATOM 603 CB ILE A 37 -0.923 -2.410 -1.843 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.349 -2.091 -0.394 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.733 -3.599 -2.368 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.449 -1.021 -0.382 1.00 1.00 C ATOM 0 H ILE A 37 1.297 -0.750 -1.844 1.00 1.00 H new ATOM 0 HA ILE A 37 0.750 -3.656 -1.292 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.109 -1.538 -2.471 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.709 -2.997 0.094 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.488 -1.743 0.176 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.795 -3.355 -2.343 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.435 -3.818 -3.393 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.546 -4.471 -1.742 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.738 -0.808 0.647 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.076 -0.110 -0.850 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.316 -1.384 -0.934 1.00 1.00 H new ATOM 618 N TYR A 38 1.257 -4.250 -3.664 1.00 1.00 N ATOM 619 CA TYR A 38 1.691 -4.569 -5.056 1.00 1.00 C ATOM 620 C TYR A 38 0.469 -4.975 -5.884 1.00 1.00 C ATOM 621 O TYR A 38 0.034 -6.110 -5.850 1.00 1.00 O ATOM 622 CB TYR A 38 2.693 -5.725 -5.035 1.00 1.00 C ATOM 623 CG TYR A 38 3.082 -6.083 -6.450 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.748 -5.147 -7.251 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.777 -7.351 -6.962 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.107 -5.479 -8.564 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.136 -7.682 -8.274 1.00 1.00 C ATOM 628 CZ TYR A 38 3.802 -6.746 -9.074 1.00 1.00 C ATOM 629 OH TYR A 38 4.156 -7.071 -10.368 1.00 1.00 O ATOM 0 H TYR A 38 1.174 -5.053 -3.040 1.00 1.00 H new ATOM 0 HA TYR A 38 2.163 -3.691 -5.497 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.578 -5.443 -4.464 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.255 -6.590 -4.537 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.985 -4.170 -6.857 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.265 -8.074 -6.344 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.619 -4.757 -9.183 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.899 -8.659 -8.669 1.00 1.00 H new ATOM 0 HH TYR A 38 3.872 -7.988 -10.564 1.00 1.00 H new ATOM 639 N ALA A 39 -0.091 -4.060 -6.628 1.00 1.00 N ATOM 640 CA ALA A 39 -1.285 -4.399 -7.456 1.00 1.00 C ATOM 641 C ALA A 39 -1.340 -3.476 -8.675 1.00 1.00 C ATOM 642 O ALA A 39 -0.882 -2.351 -8.634 1.00 1.00 O ATOM 643 CB ALA A 39 -2.554 -4.214 -6.621 1.00 1.00 C ATOM 0 H ALA A 39 0.226 -3.093 -6.699 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.214 -5.435 -7.787 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.427 -4.462 -7.225 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.517 -4.871 -5.752 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.624 -3.178 -6.290 1.00 1.00 H new ATOM 649 N LEU A 40 -1.896 -3.942 -9.762 1.00 1.00 N ATOM 650 CA LEU A 40 -1.975 -3.086 -10.980 1.00 1.00 C ATOM 651 C LEU A 40 -3.163 -2.117 -10.836 1.00 1.00 C ATOM 652 O LEU A 40 -4.173 -2.452 -10.250 1.00 1.00 O ATOM 653 CB LEU A 40 -2.107 -3.992 -12.222 1.00 1.00 C ATOM 654 CG LEU A 40 -3.575 -4.178 -12.636 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.963 -3.082 -13.631 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.745 -5.545 -13.307 1.00 1.00 C ATOM 0 H LEU A 40 -2.297 -4.875 -9.858 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.071 -2.488 -11.099 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.547 -3.558 -13.050 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.662 -4.965 -12.012 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.212 -4.119 -11.753 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -5.004 -3.211 -13.927 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.837 -2.105 -13.164 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.325 -3.148 -14.512 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.786 -5.679 -13.601 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -3.108 -5.599 -14.190 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.462 -6.331 -12.607 1.00 1.00 H new ATOM 668 N PRO A 41 -3.028 -0.914 -11.341 1.00 1.00 N ATOM 669 CA PRO A 41 -4.086 0.132 -11.242 1.00 1.00 C ATOM 670 C PRO A 41 -5.508 -0.424 -11.376 1.00 1.00 C ATOM 671 O PRO A 41 -6.350 -0.212 -10.529 1.00 1.00 O ATOM 672 CB PRO A 41 -3.779 1.060 -12.421 1.00 1.00 C ATOM 673 CG PRO A 41 -2.319 0.895 -12.713 1.00 1.00 C ATOM 674 CD PRO A 41 -1.850 -0.417 -12.065 1.00 1.00 C ATOM 0 HA PRO A 41 -4.067 0.616 -10.266 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.382 0.798 -13.290 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -4.012 2.095 -12.172 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -2.146 0.872 -13.789 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.754 1.739 -12.317 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.515 -1.133 -12.816 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.011 -0.248 -11.389 1.00 1.00 H new ATOM 682 N GLY A 42 -5.783 -1.118 -12.443 1.00 1.00 N ATOM 683 CA GLY A 42 -7.156 -1.671 -12.642 1.00 1.00 C ATOM 684 C GLY A 42 -7.564 -2.523 -11.438 1.00 1.00 C ATOM 685 O GLY A 42 -8.680 -2.452 -10.973 1.00 1.00 O ATOM 0 H GLY A 42 -5.118 -1.328 -13.188 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.868 -0.856 -12.778 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.185 -2.274 -13.550 1.00 1.00 H new ATOM 689 N ARG A 43 -6.674 -3.329 -10.935 1.00 1.00 N ATOM 690 CA ARG A 43 -7.008 -4.193 -9.768 1.00 1.00 C ATOM 691 C ARG A 43 -7.358 -3.330 -8.551 1.00 1.00 C ATOM 692 O ARG A 43 -8.168 -3.709 -7.727 1.00 1.00 O ATOM 693 CB ARG A 43 -5.805 -5.076 -9.430 1.00 1.00 C ATOM 694 CG ARG A 43 -6.182 -6.046 -8.309 1.00 1.00 C ATOM 695 CD ARG A 43 -5.118 -7.139 -8.201 1.00 1.00 C ATOM 696 NE ARG A 43 -5.042 -7.888 -9.487 1.00 1.00 N ATOM 697 CZ ARG A 43 -4.222 -8.897 -9.608 1.00 1.00 C ATOM 698 NH1 ARG A 43 -3.472 -9.251 -8.601 1.00 1.00 N ATOM 699 NH2 ARG A 43 -4.156 -9.551 -10.735 1.00 1.00 N ATOM 0 H ARG A 43 -5.721 -3.428 -11.284 1.00 1.00 H new ATOM 0 HA ARG A 43 -7.867 -4.814 -10.023 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.488 -5.630 -10.313 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -4.962 -4.458 -9.122 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.266 -5.511 -7.363 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -7.156 -6.491 -8.511 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -4.149 -6.697 -7.968 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -5.362 -7.820 -7.385 1.00 1.00 H new ATOM 0 HE ARG A 43 -5.631 -7.612 -10.273 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -3.526 -8.740 -7.720 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -2.831 -10.039 -8.695 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -4.745 -9.274 -11.521 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -3.516 -10.339 -10.830 1.00 1.00 H new ATOM 713 N VAL A 44 -6.755 -2.180 -8.420 1.00 1.00 N ATOM 714 CA VAL A 44 -7.059 -1.316 -7.243 1.00 1.00 C ATOM 715 C VAL A 44 -8.399 -0.613 -7.464 1.00 1.00 C ATOM 716 O VAL A 44 -9.322 -0.758 -6.688 1.00 1.00 O ATOM 717 CB VAL A 44 -5.950 -0.269 -7.069 1.00 1.00 C ATOM 718 CG1 VAL A 44 -5.758 0.033 -5.581 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.641 -0.812 -7.649 1.00 1.00 C ATOM 0 H VAL A 44 -6.068 -1.802 -9.073 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.114 -1.932 -6.345 1.00 1.00 H new ATOM 0 HB VAL A 44 -6.231 0.645 -7.592 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -4.970 0.776 -5.459 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -6.689 0.419 -5.165 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -5.478 -0.881 -5.057 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.853 -0.069 -7.526 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.363 -1.727 -7.125 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.774 -1.027 -8.709 1.00 1.00 H new ATOM 729 N LYS A 45 -8.518 0.138 -8.522 1.00 1.00 N ATOM 730 CA LYS A 45 -9.803 0.835 -8.795 1.00 1.00 C ATOM 731 C LYS A 45 -10.901 -0.219 -8.928 1.00 1.00 C ATOM 732 O LYS A 45 -12.075 0.063 -8.795 1.00 1.00 O ATOM 733 CB LYS A 45 -9.688 1.635 -10.094 1.00 1.00 C ATOM 734 CG LYS A 45 -8.372 2.418 -10.096 1.00 1.00 C ATOM 735 CD LYS A 45 -8.248 3.214 -11.399 1.00 1.00 C ATOM 736 CE LYS A 45 -9.376 4.249 -11.491 1.00 1.00 C ATOM 737 NZ LYS A 45 -10.556 3.637 -12.165 1.00 1.00 N ATOM 0 H LYS A 45 -7.781 0.299 -9.209 1.00 1.00 H new ATOM 0 HA LYS A 45 -10.041 1.521 -7.982 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -9.725 0.963 -10.952 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -10.531 2.319 -10.188 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.338 3.093 -9.241 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -7.530 1.733 -9.995 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -7.280 3.714 -11.439 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.293 2.538 -12.253 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -9.651 4.593 -10.494 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -9.038 5.123 -12.048 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -10.769 4.162 -13.037 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -10.346 2.646 -12.401 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -11.378 3.675 -11.529 1.00 1.00 H new ATOM 751 N ALA A 46 -10.514 -1.437 -9.188 1.00 1.00 N ATOM 752 CA ALA A 46 -11.506 -2.535 -9.332 1.00 1.00 C ATOM 753 C ALA A 46 -11.874 -3.066 -7.944 1.00 1.00 C ATOM 754 O ALA A 46 -12.960 -3.567 -7.726 1.00 1.00 O ATOM 755 CB ALA A 46 -10.885 -3.663 -10.160 1.00 1.00 C ATOM 0 H ALA A 46 -9.541 -1.720 -9.308 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.402 -2.164 -9.830 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.606 -4.473 -10.270 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.612 -3.284 -11.145 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -9.994 -4.037 -9.655 1.00 1.00 H new ATOM 761 N LEU A 47 -10.971 -2.966 -7.006 1.00 1.00 N ATOM 762 CA LEU A 47 -11.249 -3.464 -5.638 1.00 1.00 C ATOM 763 C LEU A 47 -12.390 -2.658 -5.009 1.00 1.00 C ATOM 764 O LEU A 47 -12.919 -3.022 -3.977 1.00 1.00 O ATOM 765 CB LEU A 47 -9.982 -3.311 -4.790 1.00 1.00 C ATOM 766 CG LEU A 47 -10.069 -4.237 -3.575 1.00 1.00 C ATOM 767 CD1 LEU A 47 -9.479 -5.606 -3.922 1.00 1.00 C ATOM 768 CD2 LEU A 47 -9.286 -3.630 -2.406 1.00 1.00 C ATOM 0 H LEU A 47 -10.046 -2.556 -7.135 1.00 1.00 H new ATOM 0 HA LEU A 47 -11.543 -4.513 -5.683 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.102 -3.555 -5.385 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -9.871 -2.276 -4.465 1.00 1.00 H new ATOM 0 HG LEU A 47 -11.115 -4.354 -3.292 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -9.544 -6.261 -3.053 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -10.038 -6.044 -4.749 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -8.435 -5.489 -4.211 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -9.350 -4.292 -1.542 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.241 -3.507 -2.692 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -9.709 -2.658 -2.150 1.00 1.00 H new ATOM 780 N CYS A 48 -12.776 -1.568 -5.618 1.00 1.00 N ATOM 781 CA CYS A 48 -13.885 -0.747 -5.048 1.00 1.00 C ATOM 782 C CYS A 48 -14.743 -0.199 -6.187 1.00 1.00 C ATOM 783 O CYS A 48 -15.044 0.974 -6.240 1.00 1.00 O ATOM 784 CB CYS A 48 -13.303 0.417 -4.238 1.00 1.00 C ATOM 785 SG CYS A 48 -12.781 -0.183 -2.612 1.00 1.00 S ATOM 0 H CYS A 48 -12.372 -1.211 -6.484 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.498 -1.367 -4.394 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.455 0.854 -4.766 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -14.048 1.204 -4.125 1.00 1.00 H new ATOM 790 N LYS A 49 -15.138 -1.037 -7.104 1.00 1.00 N ATOM 791 CA LYS A 49 -15.977 -0.559 -8.240 1.00 1.00 C ATOM 792 C LYS A 49 -17.459 -0.755 -7.905 1.00 1.00 C ATOM 793 O LYS A 49 -17.851 -1.759 -7.346 1.00 1.00 O ATOM 794 CB LYS A 49 -15.623 -1.356 -9.497 1.00 1.00 C ATOM 795 CG LYS A 49 -16.070 -2.810 -9.327 1.00 1.00 C ATOM 796 CD LYS A 49 -15.466 -3.666 -10.443 1.00 1.00 C ATOM 797 CE LYS A 49 -16.178 -5.019 -10.493 1.00 1.00 C ATOM 798 NZ LYS A 49 -15.675 -5.804 -11.655 1.00 1.00 N ATOM 0 H LYS A 49 -14.917 -2.033 -7.117 1.00 1.00 H new ATOM 0 HA LYS A 49 -15.788 0.500 -8.414 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.108 -0.915 -10.368 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.549 -1.314 -9.676 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.754 -3.187 -8.354 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -17.158 -2.872 -9.355 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -15.565 -3.156 -11.401 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -14.400 -3.811 -10.268 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -16.004 -5.568 -9.567 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -17.255 -4.872 -10.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -16.159 -6.724 -11.688 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -15.863 -5.282 -12.534 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -14.651 -5.956 -11.554 1.00 1.00 H new ATOM 812 N ASN A 50 -18.283 0.198 -8.249 1.00 1.00 N ATOM 813 CA ASN A 50 -19.744 0.079 -7.964 1.00 1.00 C ATOM 814 C ASN A 50 -20.004 0.255 -6.463 1.00 1.00 C ATOM 815 O ASN A 50 -21.118 0.108 -6.000 1.00 1.00 O ATOM 816 CB ASN A 50 -20.251 -1.296 -8.417 1.00 1.00 C ATOM 817 CG ASN A 50 -19.486 -1.741 -9.665 1.00 1.00 C ATOM 818 OD1 ASN A 50 -19.427 -2.915 -9.969 1.00 1.00 O ATOM 819 ND2 ASN A 50 -18.893 -0.844 -10.406 1.00 1.00 N ATOM 0 H ASN A 50 -18.006 1.060 -8.718 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.275 0.858 -8.511 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -20.118 -2.025 -7.618 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -21.319 -1.249 -8.631 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -18.380 -1.130 -11.240 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -18.943 0.142 -10.151 1.00 1.00 H new ATOM 826 N ILE A 51 -18.993 0.571 -5.700 1.00 1.00 N ATOM 827 CA ILE A 51 -19.202 0.757 -4.236 1.00 1.00 C ATOM 828 C ILE A 51 -20.075 1.990 -4.005 1.00 1.00 C ATOM 829 O ILE A 51 -20.427 2.695 -4.930 1.00 1.00 O ATOM 830 CB ILE A 51 -17.845 0.943 -3.547 1.00 1.00 C ATOM 831 CG1 ILE A 51 -17.002 -0.327 -3.721 1.00 1.00 C ATOM 832 CG2 ILE A 51 -18.043 1.222 -2.054 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.732 -1.541 -3.130 1.00 1.00 C ATOM 0 H ILE A 51 -18.036 0.708 -6.025 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.698 -0.120 -3.819 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.332 1.790 -4.002 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.801 -0.495 -4.779 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -16.037 -0.201 -3.230 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -17.072 1.352 -1.576 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.634 2.129 -1.929 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -18.565 0.383 -1.593 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -17.120 -2.433 -3.262 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.910 -1.377 -2.067 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.685 -1.676 -3.641 1.00 1.00 H new ATOM 845 N ARG A 52 -20.433 2.251 -2.779 1.00 1.00 N ATOM 846 CA ARG A 52 -21.292 3.433 -2.481 1.00 1.00 C ATOM 847 C ARG A 52 -20.423 4.604 -2.008 1.00 1.00 C ATOM 848 O ARG A 52 -19.590 5.104 -2.737 1.00 1.00 O ATOM 849 CB ARG A 52 -22.296 3.064 -1.386 1.00 1.00 C ATOM 850 CG ARG A 52 -23.167 1.899 -1.864 1.00 1.00 C ATOM 851 CD ARG A 52 -23.898 1.283 -0.670 1.00 1.00 C ATOM 852 NE ARG A 52 -24.710 2.331 0.010 1.00 1.00 N ATOM 853 CZ ARG A 52 -25.874 2.671 -0.472 1.00 1.00 C ATOM 854 NH1 ARG A 52 -26.326 2.093 -1.552 1.00 1.00 N ATOM 855 NH2 ARG A 52 -26.586 3.588 0.124 1.00 1.00 N ATOM 0 H ARG A 52 -20.167 1.695 -1.966 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.826 3.729 -3.384 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.769 2.787 -0.473 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.921 3.924 -1.145 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -23.887 2.249 -2.603 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -22.549 1.146 -2.353 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -24.542 0.469 -1.004 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -23.179 0.855 0.028 1.00 1.00 H new ATOM 0 HE ARG A 52 -24.356 2.783 0.853 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -25.769 1.376 -2.018 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -27.236 2.358 -1.930 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -26.233 4.040 0.968 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -27.496 3.853 -0.254 1.00 1.00 H new ATOM 869 N ASP A 53 -20.621 5.051 -0.795 1.00 1.00 N ATOM 870 CA ASP A 53 -19.823 6.197 -0.270 1.00 1.00 C ATOM 871 C ASP A 53 -18.718 5.695 0.648 1.00 1.00 C ATOM 872 O ASP A 53 -18.133 4.651 0.440 1.00 1.00 O ATOM 873 CB ASP A 53 -20.746 7.130 0.516 1.00 1.00 C ATOM 874 CG ASP A 53 -22.011 7.402 -0.300 1.00 1.00 C ATOM 875 OD1 ASP A 53 -22.719 6.452 -0.594 1.00 1.00 O ATOM 876 OD2 ASP A 53 -22.252 8.555 -0.618 1.00 1.00 O ATOM 0 H ASP A 53 -21.305 4.669 -0.142 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.372 6.731 -1.107 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -21.008 6.679 1.473 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -20.233 8.067 0.735 1.00 1.00 H new ATOM 881 N ASN A 54 -18.423 6.457 1.652 1.00 1.00 N ATOM 882 CA ASN A 54 -17.339 6.076 2.600 1.00 1.00 C ATOM 883 C ASN A 54 -17.719 4.792 3.340 1.00 1.00 C ATOM 884 O ASN A 54 -18.584 4.782 4.193 1.00 1.00 O ATOM 885 CB ASN A 54 -17.136 7.203 3.616 1.00 1.00 C ATOM 886 CG ASN A 54 -18.486 7.598 4.219 1.00 1.00 C ATOM 887 OD1 ASN A 54 -19.137 8.502 3.736 1.00 1.00 O ATOM 888 ND2 ASN A 54 -18.935 6.953 5.260 1.00 1.00 N ATOM 0 H ASN A 54 -18.889 7.339 1.864 1.00 1.00 H new ATOM 0 HA ASN A 54 -16.418 5.909 2.042 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -16.455 6.879 4.403 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.676 8.065 3.132 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -19.834 7.208 5.669 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -18.387 6.194 5.665 1.00 1.00 H new ATOM 895 N THR A 55 -17.065 3.708 3.017 1.00 1.00 N ATOM 896 CA THR A 55 -17.364 2.413 3.694 1.00 1.00 C ATOM 897 C THR A 55 -16.084 1.574 3.750 1.00 1.00 C ATOM 898 O THR A 55 -15.139 1.823 3.029 1.00 1.00 O ATOM 899 CB THR A 55 -18.445 1.658 2.907 1.00 1.00 C ATOM 900 OG1 THR A 55 -19.233 2.588 2.179 1.00 1.00 O ATOM 901 CG2 THR A 55 -19.340 0.876 3.872 1.00 1.00 C ATOM 0 H THR A 55 -16.332 3.664 2.309 1.00 1.00 H new ATOM 0 HA THR A 55 -17.725 2.599 4.705 1.00 1.00 H new ATOM 0 HB THR A 55 -17.968 0.962 2.217 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.923 2.108 1.675 1.00 1.00 H new ATOM 0 HG21 THR A 55 -20.105 0.343 3.308 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.736 0.161 4.430 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.818 1.567 4.566 1.00 1.00 H new ATOM 909 N ASP A 56 -16.041 0.591 4.607 1.00 1.00 N ATOM 910 CA ASP A 56 -14.815 -0.254 4.716 1.00 1.00 C ATOM 911 C ASP A 56 -14.898 -1.432 3.742 1.00 1.00 C ATOM 912 O ASP A 56 -15.961 -1.958 3.478 1.00 1.00 O ATOM 913 CB ASP A 56 -14.695 -0.788 6.145 1.00 1.00 C ATOM 914 CG ASP A 56 -14.694 0.383 7.130 1.00 1.00 C ATOM 915 OD1 ASP A 56 -14.819 1.510 6.679 1.00 1.00 O ATOM 916 OD2 ASP A 56 -14.569 0.133 8.317 1.00 1.00 O ATOM 0 H ASP A 56 -16.801 0.335 5.237 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.942 0.351 4.470 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.525 -1.460 6.364 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.778 -1.368 6.252 1.00 1.00 H new ATOM 921 N VAL A 57 -13.776 -1.855 3.211 1.00 1.00 N ATOM 922 CA VAL A 57 -13.773 -3.006 2.259 1.00 1.00 C ATOM 923 C VAL A 57 -12.716 -4.024 2.704 1.00 1.00 C ATOM 924 O VAL A 57 -11.877 -3.734 3.536 1.00 1.00 O ATOM 925 CB VAL A 57 -13.459 -2.501 0.844 1.00 1.00 C ATOM 926 CG1 VAL A 57 -14.092 -1.122 0.647 1.00 1.00 C ATOM 927 CG2 VAL A 57 -11.941 -2.398 0.649 1.00 1.00 C ATOM 0 H VAL A 57 -12.859 -1.449 3.398 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.752 -3.484 2.253 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.866 -3.201 0.114 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -13.871 -0.760 -0.357 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.172 -1.195 0.777 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -13.685 -0.427 1.381 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -11.727 -2.039 -0.358 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -11.527 -1.702 1.378 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.489 -3.380 0.788 1.00 1.00 H new ATOM 937 N LEU A 58 -12.758 -5.214 2.164 1.00 1.00 N ATOM 938 CA LEU A 58 -11.768 -6.263 2.562 1.00 1.00 C ATOM 939 C LEU A 58 -11.297 -7.021 1.313 1.00 1.00 C ATOM 940 O LEU A 58 -12.094 -7.408 0.482 1.00 1.00 O ATOM 941 CB LEU A 58 -12.464 -7.235 3.534 1.00 1.00 C ATOM 942 CG LEU A 58 -11.522 -7.639 4.677 1.00 1.00 C ATOM 943 CD1 LEU A 58 -10.293 -8.341 4.103 1.00 1.00 C ATOM 944 CD2 LEU A 58 -11.091 -6.396 5.471 1.00 1.00 C ATOM 0 H LEU A 58 -13.437 -5.507 1.462 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.902 -5.808 3.044 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.359 -6.766 3.944 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.789 -8.124 2.994 1.00 1.00 H new ATOM 0 HG LEU A 58 -12.046 -8.320 5.348 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.625 -8.627 4.915 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.604 -9.232 3.558 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.771 -7.665 3.425 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.423 -6.694 6.279 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.572 -5.703 4.809 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -11.971 -5.908 5.889 1.00 1.00 H new ATOM 956 N SER A 59 -10.012 -7.237 1.164 1.00 1.00 N ATOM 957 CA SER A 59 -9.529 -7.968 -0.044 1.00 1.00 C ATOM 958 C SER A 59 -10.250 -9.316 -0.148 1.00 1.00 C ATOM 959 O SER A 59 -10.915 -9.747 0.771 1.00 1.00 O ATOM 960 CB SER A 59 -8.010 -8.164 0.026 1.00 1.00 C ATOM 961 OG SER A 59 -7.410 -7.534 -1.098 1.00 1.00 O ATOM 0 H SER A 59 -9.287 -6.942 1.818 1.00 1.00 H new ATOM 0 HA SER A 59 -9.752 -7.382 -0.936 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.618 -7.739 0.950 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.768 -9.227 0.036 1.00 1.00 H new ATOM 0 HG SER A 59 -6.870 -8.187 -1.590 1.00 1.00 H new ATOM 967 N ARG A 60 -10.138 -9.971 -1.272 1.00 1.00 N ATOM 968 CA ARG A 60 -10.834 -11.277 -1.450 1.00 1.00 C ATOM 969 C ARG A 60 -10.200 -12.339 -0.554 1.00 1.00 C ATOM 970 O ARG A 60 -10.878 -13.030 0.180 1.00 1.00 O ATOM 971 CB ARG A 60 -10.723 -11.716 -2.911 1.00 1.00 C ATOM 972 CG ARG A 60 -11.525 -10.760 -3.796 1.00 1.00 C ATOM 973 CD ARG A 60 -11.149 -10.984 -5.261 1.00 1.00 C ATOM 974 NE ARG A 60 -12.171 -10.347 -6.139 1.00 1.00 N ATOM 975 CZ ARG A 60 -12.282 -10.716 -7.386 1.00 1.00 C ATOM 976 NH1 ARG A 60 -11.497 -11.643 -7.864 1.00 1.00 N ATOM 977 NH2 ARG A 60 -13.176 -10.158 -8.155 1.00 1.00 N ATOM 0 H ARG A 60 -9.594 -9.657 -2.076 1.00 1.00 H new ATOM 0 HA ARG A 60 -11.883 -11.160 -1.176 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -9.678 -11.724 -3.221 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -11.097 -12.733 -3.025 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -12.593 -10.926 -3.654 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -11.322 -9.728 -3.511 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -10.165 -10.561 -5.464 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -11.087 -12.051 -5.473 1.00 1.00 H new ATOM 0 HE ARG A 60 -12.784 -9.622 -5.765 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -10.797 -12.079 -7.263 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -11.583 -11.932 -8.838 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -13.789 -9.433 -7.782 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -13.262 -10.447 -9.129 1.00 1.00 H new ATOM 991 N ASP A 61 -8.905 -12.488 -0.616 1.00 1.00 N ATOM 992 CA ASP A 61 -8.234 -13.522 0.226 1.00 1.00 C ATOM 993 C ASP A 61 -6.892 -12.996 0.734 1.00 1.00 C ATOM 994 O ASP A 61 -6.698 -12.814 1.919 1.00 1.00 O ATOM 995 CB ASP A 61 -8.000 -14.782 -0.609 1.00 1.00 C ATOM 996 CG ASP A 61 -9.347 -15.396 -0.999 1.00 1.00 C ATOM 997 OD1 ASP A 61 -9.989 -15.965 -0.131 1.00 1.00 O ATOM 998 OD2 ASP A 61 -9.712 -15.286 -2.157 1.00 1.00 O ATOM 0 H ASP A 61 -8.283 -11.941 -1.211 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.872 -13.756 1.079 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -7.428 -14.537 -1.504 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.411 -15.503 -0.042 1.00 1.00 H new ATOM 1003 N ALA A 62 -5.960 -12.755 -0.147 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.631 -12.249 0.301 1.00 1.00 C ATOM 1005 C ALA A 62 -4.042 -11.314 -0.755 1.00 1.00 C ATOM 1006 O ALA A 62 -4.487 -11.275 -1.886 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.685 -13.433 0.518 1.00 1.00 C ATOM 0 H ALA A 62 -6.060 -12.886 -1.154 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.754 -11.699 1.234 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.712 -13.066 0.846 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.099 -14.094 1.279 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.570 -13.983 -0.416 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.037 -10.562 -0.394 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.406 -9.628 -1.367 1.00 1.00 C ATOM 1015 C PHE A 63 -0.919 -9.492 -1.031 1.00 1.00 C ATOM 1016 O PHE A 63 -0.544 -9.320 0.112 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.089 -8.255 -1.277 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.128 -8.129 -2.367 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.380 -8.736 -2.215 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -3.837 -7.408 -3.532 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.341 -8.621 -3.225 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -4.799 -7.292 -4.542 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.051 -7.900 -4.389 1.00 1.00 C ATOM 0 H PHE A 63 -2.625 -10.556 0.539 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.518 -10.014 -2.380 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.557 -8.135 -0.300 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.347 -7.462 -1.375 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.604 -9.293 -1.318 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -2.870 -6.942 -3.651 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.307 -9.089 -3.107 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -4.576 -6.734 -5.439 1.00 1.00 H new ATOM 0 HZ PHE A 63 -6.793 -7.813 -5.169 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.070 -9.575 -2.018 1.00 1.00 N ATOM 1034 CA LEU A 64 1.392 -9.461 -1.758 1.00 1.00 C ATOM 1035 C LEU A 64 1.771 -7.990 -1.597 1.00 1.00 C ATOM 1036 O LEU A 64 1.704 -7.221 -2.533 1.00 1.00 O ATOM 1037 CB LEU A 64 2.160 -10.052 -2.945 1.00 1.00 C ATOM 1038 CG LEU A 64 3.606 -10.365 -2.538 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.225 -11.317 -3.565 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.429 -9.070 -2.487 1.00 1.00 C ATOM 0 H LEU A 64 -0.327 -9.717 -2.995 1.00 1.00 H new ATOM 0 HA LEU A 64 1.643 -10.002 -0.846 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.667 -10.961 -3.290 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.153 -9.349 -3.778 1.00 1.00 H new ATOM 0 HG LEU A 64 3.608 -10.830 -1.552 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.253 -11.542 -3.280 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.647 -12.241 -3.599 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.216 -10.847 -4.548 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.454 -9.301 -2.197 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.427 -8.599 -3.470 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.991 -8.389 -1.757 1.00 1.00 H new ATOM 1052 N LEU A 65 2.176 -7.589 -0.419 1.00 1.00 N ATOM 1053 CA LEU A 65 2.569 -6.165 -0.220 1.00 1.00 C ATOM 1054 C LEU A 65 4.024 -6.091 0.260 1.00 1.00 C ATOM 1055 O LEU A 65 4.415 -6.793 1.171 1.00 1.00 O ATOM 1056 CB LEU A 65 1.678 -5.485 0.832 1.00 1.00 C ATOM 1057 CG LEU A 65 0.694 -6.468 1.454 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.247 -5.906 2.805 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.523 -6.616 0.532 1.00 1.00 C ATOM 0 H LEU A 65 2.251 -8.183 0.407 1.00 1.00 H new ATOM 0 HA LEU A 65 2.453 -5.652 -1.174 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.303 -5.051 1.613 1.00 1.00 H new ATOM 0 HB3 LEU A 65 1.130 -4.664 0.370 1.00 1.00 H new ATOM 0 HG LEU A 65 1.162 -7.443 1.588 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.459 -6.594 3.270 1.00 1.00 H new ATOM 0 HD12 LEU A 65 1.115 -5.784 3.453 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.233 -4.939 2.656 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.230 -7.319 0.973 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.005 -5.646 0.407 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.200 -6.988 -0.440 1.00 1.00 H new ATOM 1071 N PRO A 66 4.808 -5.215 -0.314 1.00 1.00 N ATOM 1072 CA PRO A 66 6.221 -5.019 0.105 1.00 1.00 C ATOM 1073 C PRO A 66 6.268 -4.253 1.429 1.00 1.00 C ATOM 1074 O PRO A 66 5.369 -3.494 1.735 1.00 1.00 O ATOM 1075 CB PRO A 66 6.836 -4.201 -1.034 1.00 1.00 C ATOM 1076 CG PRO A 66 5.690 -3.489 -1.678 1.00 1.00 C ATOM 1077 CD PRO A 66 4.436 -4.322 -1.421 1.00 1.00 C ATOM 0 HA PRO A 66 6.757 -5.953 0.271 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.574 -3.494 -0.655 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.349 -4.846 -1.748 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.578 -2.487 -1.263 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.862 -3.373 -2.748 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.588 -3.691 -1.154 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.146 -4.887 -2.307 1.00 1.00 H new ATOM 1085 N GLN A 67 7.277 -4.446 2.235 1.00 1.00 N ATOM 1086 CA GLN A 67 7.320 -3.717 3.536 1.00 1.00 C ATOM 1087 C GLN A 67 8.764 -3.384 3.911 1.00 1.00 C ATOM 1088 O GLN A 67 9.637 -4.230 3.879 1.00 1.00 O ATOM 1089 CB GLN A 67 6.699 -4.585 4.636 1.00 1.00 C ATOM 1090 CG GLN A 67 5.453 -5.292 4.097 1.00 1.00 C ATOM 1091 CD GLN A 67 4.810 -6.114 5.217 1.00 1.00 C ATOM 1092 OE1 GLN A 67 5.054 -7.298 5.332 1.00 1.00 O ATOM 1093 NE2 GLN A 67 3.993 -5.532 6.052 1.00 1.00 N ATOM 0 H GLN A 67 8.064 -5.069 2.053 1.00 1.00 H new ATOM 0 HA GLN A 67 6.755 -2.790 3.435 1.00 1.00 H new ATOM 0 HB2 GLN A 67 7.424 -5.321 4.984 1.00 1.00 H new ATOM 0 HB3 GLN A 67 6.435 -3.967 5.494 1.00 1.00 H new ATOM 0 HG2 GLN A 67 4.742 -4.559 3.715 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.722 -5.941 3.263 1.00 1.00 H new ATOM 0 HE21 GLN A 67 3.788 -4.537 5.955 1.00 1.00 H new ATOM 0 HE22 GLN A 67 3.559 -6.072 6.801 1.00 1.00 H new ATOM 1102 N CYS A 68 9.018 -2.157 4.276 1.00 1.00 N ATOM 1103 CA CYS A 68 10.404 -1.762 4.668 1.00 1.00 C ATOM 1104 C CYS A 68 10.540 -1.830 6.189 1.00 1.00 C ATOM 1105 O CYS A 68 9.642 -1.452 6.917 1.00 1.00 O ATOM 1106 CB CYS A 68 10.673 -0.333 4.203 1.00 1.00 C ATOM 1107 SG CYS A 68 10.189 -0.162 2.469 1.00 1.00 S ATOM 0 H CYS A 68 8.326 -1.409 4.320 1.00 1.00 H new ATOM 0 HA CYS A 68 11.121 -2.440 4.205 1.00 1.00 H new ATOM 0 HB2 CYS A 68 10.115 0.372 4.819 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.730 -0.093 4.322 1.00 1.00 H new ATOM 1112 N ASP A 69 11.652 -2.315 6.675 1.00 1.00 N ATOM 1113 CA ASP A 69 11.844 -2.414 8.154 1.00 1.00 C ATOM 1114 C ASP A 69 13.237 -1.902 8.540 1.00 1.00 C ATOM 1115 O ASP A 69 14.244 -2.457 8.150 1.00 1.00 O ATOM 1116 CB ASP A 69 11.704 -3.879 8.576 1.00 1.00 C ATOM 1117 CG ASP A 69 10.221 -4.247 8.663 1.00 1.00 C ATOM 1118 OD1 ASP A 69 9.484 -3.510 9.296 1.00 1.00 O ATOM 1119 OD2 ASP A 69 9.849 -5.262 8.097 1.00 1.00 O ATOM 0 H ASP A 69 12.436 -2.647 6.113 1.00 1.00 H new ATOM 0 HA ASP A 69 11.093 -1.806 8.658 1.00 1.00 H new ATOM 0 HB2 ASP A 69 12.208 -4.525 7.857 1.00 1.00 H new ATOM 0 HB3 ASP A 69 12.186 -4.038 9.541 1.00 1.00 H new ATOM 1124 N ARG A 70 13.298 -0.848 9.315 1.00 1.00 N ATOM 1125 CA ARG A 70 14.621 -0.303 9.737 1.00 1.00 C ATOM 1126 C ARG A 70 15.234 -1.222 10.796 1.00 1.00 C ATOM 1127 O ARG A 70 14.536 -1.908 11.516 1.00 1.00 O ATOM 1128 CB ARG A 70 14.432 1.103 10.323 1.00 1.00 C ATOM 1129 CG ARG A 70 15.730 1.902 10.180 1.00 1.00 C ATOM 1130 CD ARG A 70 15.680 3.130 11.094 1.00 1.00 C ATOM 1131 NE ARG A 70 15.819 2.699 12.513 1.00 1.00 N ATOM 1132 CZ ARG A 70 16.993 2.381 12.987 1.00 1.00 C ATOM 1133 NH1 ARG A 70 18.045 2.438 12.218 1.00 1.00 N ATOM 1134 NH2 ARG A 70 17.113 2.008 14.232 1.00 1.00 N ATOM 0 H ARG A 70 12.488 -0.343 9.673 1.00 1.00 H new ATOM 0 HA ARG A 70 15.285 -0.249 8.875 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.620 1.616 9.808 1.00 1.00 H new ATOM 0 HB3 ARG A 70 14.150 1.034 11.374 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.584 1.277 10.440 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.866 2.212 9.144 1.00 1.00 H new ATOM 0 HD2 ARG A 70 16.480 3.823 10.833 1.00 1.00 H new ATOM 0 HD3 ARG A 70 14.739 3.662 10.955 1.00 1.00 H new ATOM 0 HE ARG A 70 14.997 2.652 13.115 1.00 1.00 H new ATOM 0 HH11 ARG A 70 17.951 2.731 11.246 1.00 1.00 H new ATOM 0 HH12 ARG A 70 18.962 2.189 12.589 1.00 1.00 H new ATOM 0 HH21 ARG A 70 16.290 1.965 14.833 1.00 1.00 H new ATOM 0 HH22 ARG A 70 18.030 1.759 14.604 1.00 1.00 H new ATOM 1148 N ILE A 71 16.535 -1.243 10.897 1.00 1.00 N ATOM 1149 CA ILE A 71 17.188 -2.120 11.908 1.00 1.00 C ATOM 1150 C ILE A 71 18.685 -1.810 11.966 1.00 1.00 C ATOM 1151 O ILE A 71 19.279 -1.774 13.026 1.00 1.00 O ATOM 1152 CB ILE A 71 16.986 -3.585 11.518 1.00 1.00 C ATOM 1153 CG1 ILE A 71 17.685 -4.486 12.539 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.581 -3.832 10.133 1.00 1.00 C ATOM 1155 CD1 ILE A 71 17.292 -5.942 12.289 1.00 1.00 C ATOM 0 H ILE A 71 17.173 -0.691 10.323 1.00 1.00 H new ATOM 0 HA ILE A 71 16.743 -1.938 12.886 1.00 1.00 H new ATOM 0 HB ILE A 71 15.920 -3.811 11.501 1.00 1.00 H new ATOM 0 HG12 ILE A 71 18.766 -4.372 12.461 1.00 1.00 H new ATOM 0 HG13 ILE A 71 17.406 -4.192 13.551 1.00 1.00 H new ATOM 0 HG21 ILE A 71 17.437 -4.876 9.856 1.00 1.00 H new ATOM 0 HG22 ILE A 71 17.085 -3.191 9.404 1.00 1.00 H new ATOM 0 HG23 ILE A 71 18.647 -3.605 10.149 1.00 1.00 H new ATOM 0 HD11 ILE A 71 17.790 -6.583 13.016 1.00 1.00 H new ATOM 0 HD12 ILE A 71 16.212 -6.050 12.390 1.00 1.00 H new ATOM 0 HD13 ILE A 71 17.593 -6.233 11.283 1.00 1.00 H new ATOM 1167 N LYS A 72 19.301 -1.590 10.832 1.00 1.00 N ATOM 1168 CA LYS A 72 20.765 -1.286 10.813 1.00 1.00 C ATOM 1169 C LYS A 72 20.986 0.117 10.233 1.00 1.00 C ATOM 1170 O LYS A 72 20.076 0.733 9.716 1.00 1.00 O ATOM 1171 CB LYS A 72 21.484 -2.333 9.949 1.00 1.00 C ATOM 1172 CG LYS A 72 22.893 -2.583 10.504 1.00 1.00 C ATOM 1173 CD LYS A 72 23.750 -3.302 9.455 1.00 1.00 C ATOM 1174 CE LYS A 72 23.390 -4.788 9.425 1.00 1.00 C ATOM 1175 NZ LYS A 72 24.267 -5.491 8.446 1.00 1.00 N ATOM 0 H LYS A 72 18.852 -1.608 9.916 1.00 1.00 H new ATOM 0 HA LYS A 72 21.166 -1.318 11.826 1.00 1.00 H new ATOM 0 HB2 LYS A 72 20.916 -3.263 9.940 1.00 1.00 H new ATOM 0 HB3 LYS A 72 21.545 -1.987 8.917 1.00 1.00 H new ATOM 0 HG2 LYS A 72 23.358 -1.636 10.778 1.00 1.00 H new ATOM 0 HG3 LYS A 72 22.834 -3.184 11.411 1.00 1.00 H new ATOM 0 HD2 LYS A 72 23.587 -2.859 8.473 1.00 1.00 H new ATOM 0 HD3 LYS A 72 24.807 -3.179 9.689 1.00 1.00 H new ATOM 0 HE2 LYS A 72 23.512 -5.223 10.417 1.00 1.00 H new ATOM 0 HE3 LYS A 72 22.343 -4.914 9.148 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 24.023 -6.502 8.425 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 24.129 -5.082 7.500 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 25.262 -5.381 8.729 1.00 1.00 H new ATOM 1189 N LEU A 73 22.194 0.618 10.304 1.00 1.00 N ATOM 1190 CA LEU A 73 22.489 1.973 9.754 1.00 1.00 C ATOM 1191 C LEU A 73 21.408 2.968 10.217 1.00 1.00 C ATOM 1192 O LEU A 73 20.444 2.586 10.848 1.00 1.00 O ATOM 1193 CB LEU A 73 22.507 1.863 8.226 1.00 1.00 C ATOM 1194 CG LEU A 73 23.842 1.266 7.752 1.00 1.00 C ATOM 1195 CD1 LEU A 73 24.954 2.317 7.831 1.00 1.00 C ATOM 1196 CD2 LEU A 73 24.220 0.059 8.618 1.00 1.00 C ATOM 0 H LEU A 73 22.993 0.142 10.723 1.00 1.00 H new ATOM 0 HA LEU A 73 23.453 2.336 10.110 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.681 1.237 7.890 1.00 1.00 H new ATOM 0 HB3 LEU A 73 22.362 2.848 7.782 1.00 1.00 H new ATOM 0 HG LEU A 73 23.726 0.945 6.717 1.00 1.00 H new ATOM 0 HD11 LEU A 73 25.893 1.879 7.492 1.00 1.00 H new ATOM 0 HD12 LEU A 73 24.699 3.165 7.196 1.00 1.00 H new ATOM 0 HD13 LEU A 73 25.062 2.655 8.861 1.00 1.00 H new ATOM 0 HD21 LEU A 73 25.167 -0.355 8.272 1.00 1.00 H new ATOM 0 HD22 LEU A 73 24.319 0.373 9.657 1.00 1.00 H new ATOM 0 HD23 LEU A 73 23.443 -0.701 8.542 1.00 1.00 H new ATOM 1208 N PRO A 74 21.562 4.241 9.920 1.00 1.00 N ATOM 1209 CA PRO A 74 20.579 5.281 10.323 1.00 1.00 C ATOM 1210 C PRO A 74 19.417 5.403 9.330 1.00 1.00 C ATOM 1211 O PRO A 74 18.282 5.601 9.715 1.00 1.00 O ATOM 1212 CB PRO A 74 21.406 6.583 10.355 1.00 1.00 C ATOM 1213 CG PRO A 74 22.774 6.237 9.825 1.00 1.00 C ATOM 1214 CD PRO A 74 22.673 4.852 9.188 1.00 1.00 C ATOM 0 HA PRO A 74 20.111 5.043 11.278 1.00 1.00 H new ATOM 0 HB2 PRO A 74 20.938 7.355 9.744 1.00 1.00 H new ATOM 0 HB3 PRO A 74 21.471 6.976 11.370 1.00 1.00 H new ATOM 0 HG2 PRO A 74 23.101 6.975 9.092 1.00 1.00 H new ATOM 0 HG3 PRO A 74 23.510 6.238 10.629 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.469 4.912 8.119 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.596 4.284 9.305 1.00 1.00 H new ATOM 1222 N CYS A 75 19.695 5.297 8.057 1.00 1.00 N ATOM 1223 CA CYS A 75 18.611 5.418 7.037 1.00 1.00 C ATOM 1224 C CYS A 75 18.639 4.207 6.101 1.00 1.00 C ATOM 1225 O CYS A 75 18.838 4.335 4.910 1.00 1.00 O ATOM 1226 CB CYS A 75 18.821 6.695 6.224 1.00 1.00 C ATOM 1227 SG CYS A 75 17.320 7.069 5.286 1.00 1.00 S ATOM 0 H CYS A 75 20.628 5.132 7.679 1.00 1.00 H new ATOM 0 HA CYS A 75 17.645 5.458 7.541 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.064 7.525 6.887 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.665 6.572 5.545 1.00 1.00 H new ATOM 1232 N HIS A 76 18.430 3.033 6.633 1.00 1.00 N ATOM 1233 CA HIS A 76 18.431 1.806 5.783 1.00 1.00 C ATOM 1234 C HIS A 76 17.296 0.888 6.240 1.00 1.00 C ATOM 1235 O HIS A 76 16.933 0.874 7.399 1.00 1.00 O ATOM 1236 CB HIS A 76 19.770 1.077 5.933 1.00 1.00 C ATOM 1237 CG HIS A 76 19.955 0.117 4.790 1.00 1.00 C ATOM 1238 ND1 HIS A 76 19.369 0.321 3.548 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.659 -1.058 4.683 1.00 1.00 C ATOM 1240 CE1 HIS A 76 19.728 -0.707 2.755 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.512 -1.572 3.400 1.00 1.00 N ATOM 0 H HIS A 76 18.258 2.870 7.625 1.00 1.00 H new ATOM 0 HA HIS A 76 18.289 2.081 4.738 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.587 1.798 5.951 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.798 0.539 6.881 1.00 1.00 H new ATOM 0 HD2 HIS A 76 21.237 -1.512 5.474 1.00 1.00 H new ATOM 0 HE1 HIS A 76 19.420 -0.817 1.726 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.919 -2.431 3.029 1.00 1.00 H new ATOM 1250 N TYR A 77 16.728 0.126 5.342 1.00 1.00 N ATOM 1251 CA TYR A 77 15.612 -0.783 5.739 1.00 1.00 C ATOM 1252 C TYR A 77 15.791 -2.151 5.080 1.00 1.00 C ATOM 1253 O TYR A 77 16.565 -2.314 4.157 1.00 1.00 O ATOM 1254 CB TYR A 77 14.274 -0.177 5.299 1.00 1.00 C ATOM 1255 CG TYR A 77 14.376 1.330 5.282 1.00 1.00 C ATOM 1256 CD1 TYR A 77 14.903 1.983 4.161 1.00 1.00 C ATOM 1257 CD2 TYR A 77 13.941 2.073 6.386 1.00 1.00 C ATOM 1258 CE1 TYR A 77 14.994 3.380 4.145 1.00 1.00 C ATOM 1259 CE2 TYR A 77 14.031 3.470 6.368 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.558 4.123 5.246 1.00 1.00 C ATOM 1261 OH TYR A 77 14.646 5.499 5.229 1.00 1.00 O ATOM 0 H TYR A 77 16.987 0.094 4.356 1.00 1.00 H new ATOM 0 HA TYR A 77 15.621 -0.903 6.822 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.007 -0.544 4.308 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.482 -0.489 5.979 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.239 1.410 3.310 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.536 1.569 7.251 1.00 1.00 H new ATOM 0 HE1 TYR A 77 15.401 3.884 3.281 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.694 4.044 7.219 1.00 1.00 H new ATOM 0 HH TYR A 77 15.516 5.776 5.586 1.00 1.00 H new ATOM 1271 N LYS A 78 15.066 -3.133 5.548 1.00 1.00 N ATOM 1272 CA LYS A 78 15.168 -4.498 4.960 1.00 1.00 C ATOM 1273 C LYS A 78 13.909 -4.776 4.139 1.00 1.00 C ATOM 1274 O LYS A 78 12.855 -4.224 4.398 1.00 1.00 O ATOM 1275 CB LYS A 78 15.284 -5.531 6.086 1.00 1.00 C ATOM 1276 CG LYS A 78 16.710 -5.522 6.656 1.00 1.00 C ATOM 1277 CD LYS A 78 17.594 -6.485 5.859 1.00 1.00 C ATOM 1278 CE LYS A 78 19.065 -6.211 6.180 1.00 1.00 C ATOM 1279 NZ LYS A 78 19.245 -6.132 7.657 1.00 1.00 N ATOM 0 H LYS A 78 14.403 -3.045 6.318 1.00 1.00 H new ATOM 0 HA LYS A 78 16.049 -4.563 4.321 1.00 1.00 H new ATOM 0 HB2 LYS A 78 14.566 -5.305 6.874 1.00 1.00 H new ATOM 0 HB3 LYS A 78 15.040 -6.524 5.708 1.00 1.00 H new ATOM 0 HG2 LYS A 78 17.123 -4.514 6.612 1.00 1.00 H new ATOM 0 HG3 LYS A 78 16.693 -5.814 7.706 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.343 -7.516 6.107 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.415 -6.361 4.791 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.692 -7.002 5.768 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.382 -5.278 5.714 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 20.243 -6.303 7.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.966 -5.187 7.991 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.652 -6.851 8.118 1.00 1.00 H new ATOM 1293 N LEU A 79 14.010 -5.619 3.147 1.00 1.00 N ATOM 1294 CA LEU A 79 12.823 -5.928 2.300 1.00 1.00 C ATOM 1295 C LEU A 79 12.054 -7.108 2.900 1.00 1.00 C ATOM 1296 O LEU A 79 12.595 -8.178 3.103 1.00 1.00 O ATOM 1297 CB LEU A 79 13.290 -6.283 0.884 1.00 1.00 C ATOM 1298 CG LEU A 79 12.111 -6.802 0.053 1.00 1.00 C ATOM 1299 CD1 LEU A 79 10.952 -5.802 0.111 1.00 1.00 C ATOM 1300 CD2 LEU A 79 12.559 -6.978 -1.400 1.00 1.00 C ATOM 0 H LEU A 79 14.866 -6.108 2.886 1.00 1.00 H new ATOM 0 HA LEU A 79 12.168 -5.058 2.260 1.00 1.00 H new ATOM 0 HB2 LEU A 79 13.723 -5.405 0.405 1.00 1.00 H new ATOM 0 HB3 LEU A 79 14.073 -7.040 0.930 1.00 1.00 H new ATOM 0 HG LEU A 79 11.778 -7.758 0.456 1.00 1.00 H new ATOM 0 HD11 LEU A 79 10.118 -6.177 -0.482 1.00 1.00 H new ATOM 0 HD12 LEU A 79 10.634 -5.674 1.146 1.00 1.00 H new ATOM 0 HD13 LEU A 79 11.279 -4.842 -0.290 1.00 1.00 H new ATOM 0 HD21 LEU A 79 11.724 -7.347 -1.996 1.00 1.00 H new ATOM 0 HD22 LEU A 79 12.892 -6.019 -1.797 1.00 1.00 H new ATOM 0 HD23 LEU A 79 13.380 -7.694 -1.443 1.00 1.00 H new ATOM 1312 N SER A 80 10.792 -6.922 3.176 1.00 1.00 N ATOM 1313 CA SER A 80 9.973 -8.026 3.753 1.00 1.00 C ATOM 1314 C SER A 80 8.550 -7.927 3.199 1.00 1.00 C ATOM 1315 O SER A 80 7.889 -6.920 3.351 1.00 1.00 O ATOM 1316 CB SER A 80 9.939 -7.897 5.276 1.00 1.00 C ATOM 1317 OG SER A 80 8.853 -8.658 5.788 1.00 1.00 O ATOM 0 H SER A 80 10.290 -6.047 3.026 1.00 1.00 H new ATOM 0 HA SER A 80 10.409 -8.989 3.486 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.878 -8.249 5.703 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.831 -6.851 5.561 1.00 1.00 H new ATOM 0 HG SER A 80 8.829 -8.579 6.764 1.00 1.00 H new ATOM 1323 N SER A 81 8.075 -8.958 2.549 1.00 1.00 N ATOM 1324 CA SER A 81 6.695 -8.911 1.978 1.00 1.00 C ATOM 1325 C SER A 81 5.948 -10.202 2.316 1.00 1.00 C ATOM 1326 O SER A 81 6.542 -11.212 2.640 1.00 1.00 O ATOM 1327 CB SER A 81 6.783 -8.759 0.459 1.00 1.00 C ATOM 1328 OG SER A 81 6.928 -10.044 -0.133 1.00 1.00 O ATOM 0 H SER A 81 8.581 -9.829 2.389 1.00 1.00 H new ATOM 0 HA SER A 81 6.157 -8.064 2.404 1.00 1.00 H new ATOM 0 HB2 SER A 81 5.887 -8.269 0.078 1.00 1.00 H new ATOM 0 HB3 SER A 81 7.630 -8.126 0.194 1.00 1.00 H new ATOM 0 HG SER A 81 7.296 -9.948 -1.036 1.00 1.00 H new ATOM 1334 N SER A 82 4.645 -10.176 2.239 1.00 1.00 N ATOM 1335 CA SER A 82 3.850 -11.397 2.549 1.00 1.00 C ATOM 1336 C SER A 82 2.456 -11.256 1.947 1.00 1.00 C ATOM 1337 O SER A 82 2.052 -10.185 1.536 1.00 1.00 O ATOM 1338 CB SER A 82 3.742 -11.569 4.065 1.00 1.00 C ATOM 1339 OG SER A 82 2.871 -12.655 4.353 1.00 1.00 O ATOM 0 H SER A 82 4.096 -9.358 1.974 1.00 1.00 H new ATOM 0 HA SER A 82 4.343 -12.271 2.124 1.00 1.00 H new ATOM 0 HB2 SER A 82 4.727 -11.755 4.493 1.00 1.00 H new ATOM 0 HB3 SER A 82 3.364 -10.654 4.521 1.00 1.00 H new ATOM 0 HG SER A 82 2.801 -12.769 5.324 1.00 1.00 H new ATOM 1345 N THR A 83 1.727 -12.334 1.870 1.00 1.00 N ATOM 1346 CA THR A 83 0.374 -12.285 1.276 1.00 1.00 C ATOM 1347 C THR A 83 -0.686 -12.340 2.380 1.00 1.00 C ATOM 1348 O THR A 83 -0.752 -13.279 3.149 1.00 1.00 O ATOM 1349 CB THR A 83 0.233 -13.491 0.351 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.192 -14.474 0.718 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.477 -13.058 -1.093 1.00 1.00 C ATOM 0 H THR A 83 2.019 -13.254 2.199 1.00 1.00 H new ATOM 0 HA THR A 83 0.233 -11.359 0.719 1.00 1.00 H new ATOM 0 HB THR A 83 -0.771 -13.905 0.439 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.105 -15.252 0.128 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.376 -13.919 -1.753 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.253 -12.299 -1.373 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.482 -12.646 -1.185 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.520 -11.341 2.457 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.583 -11.328 3.500 1.00 1.00 C ATOM 1361 C ASN A 84 -3.686 -10.356 3.077 1.00 1.00 C ATOM 1362 O ASN A 84 -3.438 -9.393 2.379 1.00 1.00 O ATOM 1363 CB ASN A 84 -1.985 -10.875 4.834 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.358 -9.489 4.668 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -0.710 -9.218 3.678 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -1.525 -8.595 5.604 1.00 1.00 N ATOM 0 H ASN A 84 -1.511 -10.529 1.839 1.00 1.00 H new ATOM 0 HA ASN A 84 -2.999 -12.329 3.614 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -2.759 -10.846 5.601 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.232 -11.589 5.168 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -1.111 -7.668 5.504 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -2.070 -8.823 6.436 1.00 1.00 H new ATOM 1373 N THR A 85 -4.903 -10.600 3.488 1.00 1.00 N ATOM 1374 CA THR A 85 -6.010 -9.687 3.103 1.00 1.00 C ATOM 1375 C THR A 85 -5.765 -8.315 3.737 1.00 1.00 C ATOM 1376 O THR A 85 -4.999 -8.184 4.671 1.00 1.00 O ATOM 1377 CB THR A 85 -7.340 -10.272 3.601 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.127 -11.605 4.045 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.366 -10.274 2.466 1.00 1.00 C ATOM 0 H THR A 85 -5.174 -11.391 4.072 1.00 1.00 H new ATOM 0 HA THR A 85 -6.053 -9.579 2.019 1.00 1.00 H new ATOM 0 HB THR A 85 -7.716 -9.663 4.423 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.247 -12.223 3.294 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.307 -10.690 2.827 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.529 -9.253 2.121 1.00 1.00 H new ATOM 0 HG23 THR A 85 -7.994 -10.880 1.640 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.395 -7.291 3.229 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.184 -5.926 3.792 1.00 1.00 C ATOM 1389 C ILE A 86 -7.525 -5.189 3.855 1.00 1.00 C ATOM 1390 O ILE A 86 -8.397 -5.404 3.037 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.193 -5.159 2.891 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.955 -4.238 1.925 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.365 -6.163 2.085 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -5.001 -3.698 0.857 1.00 1.00 C ATOM 0 H ILE A 86 -7.048 -7.340 2.447 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.773 -5.995 4.799 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.539 -4.552 3.517 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.770 -4.787 1.453 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.404 -3.411 2.475 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.663 -5.626 1.447 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.813 -6.810 2.767 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.028 -6.768 1.467 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -5.548 -3.046 0.176 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -4.201 -3.133 1.336 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.573 -4.530 0.297 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.691 -4.314 4.812 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.966 -3.553 4.920 1.00 1.00 C ATOM 1408 C CYS A 87 -8.695 -2.093 4.552 1.00 1.00 C ATOM 1409 O CYS A 87 -7.740 -1.499 5.006 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.491 -3.637 6.357 1.00 1.00 C ATOM 1411 SG CYS A 87 -11.249 -3.208 6.387 1.00 1.00 S ATOM 0 H CYS A 87 -6.995 -4.095 5.525 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.712 -3.972 4.245 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.345 -4.643 6.750 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -8.930 -2.959 7.000 1.00 1.00 H new ATOM 0 HG CYS A 87 -11.680 -3.057 5.170 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.516 -1.511 3.724 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.289 -0.092 3.331 1.00 1.00 C ATOM 1418 C ILE A 88 -10.647 0.561 3.060 1.00 1.00 C ATOM 1419 O ILE A 88 -11.603 -0.099 2.709 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.374 -0.042 2.086 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.806 1.086 1.140 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.433 -1.371 1.328 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -7.638 1.463 0.222 1.00 1.00 C ATOM 0 H ILE A 88 -10.332 -1.955 3.303 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.791 0.457 4.130 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.356 0.142 2.428 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.661 0.767 0.544 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -9.124 1.955 1.716 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -7.784 -1.320 0.454 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.100 -2.178 1.981 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.457 -1.562 1.008 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -7.947 2.264 -0.449 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -6.795 1.800 0.825 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -7.340 0.593 -0.364 1.00 1.00 H new ATOM 1435 N THR A 89 -10.747 1.852 3.241 1.00 1.00 N ATOM 1436 CA THR A 89 -12.051 2.537 3.015 1.00 1.00 C ATOM 1437 C THR A 89 -12.072 3.191 1.630 1.00 1.00 C ATOM 1438 O THR A 89 -11.116 3.820 1.206 1.00 1.00 O ATOM 1439 CB THR A 89 -12.262 3.590 4.118 1.00 1.00 C ATOM 1440 OG1 THR A 89 -13.071 3.032 5.143 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.953 4.838 3.555 1.00 1.00 C ATOM 0 H THR A 89 -9.982 2.460 3.535 1.00 1.00 H new ATOM 0 HA THR A 89 -12.861 1.809 3.055 1.00 1.00 H new ATOM 0 HB THR A 89 -11.290 3.880 4.516 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.852 2.597 4.743 1.00 1.00 H new ATOM 0 HG21 THR A 89 -13.092 5.568 4.352 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.336 5.272 2.769 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.924 4.562 3.143 1.00 1.00 H new ATOM 1449 N CYS A 90 -13.175 3.050 0.935 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.320 3.656 -0.421 1.00 1.00 C ATOM 1451 C CYS A 90 -14.504 4.628 -0.395 1.00 1.00 C ATOM 1452 O CYS A 90 -15.196 4.739 0.594 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.591 2.554 -1.451 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.174 1.431 -1.532 1.00 1.00 S ATOM 0 H CYS A 90 -13.992 2.532 1.258 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.405 4.183 -0.693 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -14.490 2.001 -1.178 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -13.773 2.996 -2.431 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.738 5.332 -1.470 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.874 6.300 -1.504 1.00 1.00 C ATOM 1461 C VAL A 91 -16.602 6.185 -2.842 1.00 1.00 C ATOM 1462 O VAL A 91 -17.255 5.199 -3.122 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.322 7.716 -1.330 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -16.478 8.714 -1.211 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -14.469 7.762 -0.061 1.00 1.00 C ATOM 0 H VAL A 91 -14.190 5.279 -2.329 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.576 6.080 -0.700 1.00 1.00 H new ATOM 0 HB VAL A 91 -14.714 7.982 -2.195 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -16.078 9.721 -1.087 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -17.088 8.674 -2.114 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -17.092 8.459 -0.347 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -14.070 8.767 0.073 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -15.083 7.497 0.800 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -13.645 7.054 -0.150 1.00 1.00 H new ATOM 1475 N ASN A 92 -16.496 7.186 -3.663 1.00 1.00 N ATOM 1476 CA ASN A 92 -17.172 7.151 -4.989 1.00 1.00 C ATOM 1477 C ASN A 92 -16.462 6.132 -5.878 1.00 1.00 C ATOM 1478 O ASN A 92 -16.243 6.360 -7.049 1.00 1.00 O ATOM 1479 CB ASN A 92 -17.092 8.535 -5.637 1.00 1.00 C ATOM 1480 CG ASN A 92 -18.144 9.455 -5.015 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -17.896 10.087 -4.006 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -19.317 9.558 -5.576 1.00 1.00 N ATOM 0 H ASN A 92 -15.966 8.036 -3.473 1.00 1.00 H new ATOM 0 HA ASN A 92 -18.218 6.870 -4.865 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -16.097 8.957 -5.496 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -17.255 8.454 -6.712 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -20.025 10.168 -5.168 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -19.526 9.028 -6.422 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.086 5.019 -5.311 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.371 3.966 -6.089 1.00 1.00 C ATOM 1491 C GLN A 93 -13.919 4.397 -6.282 1.00 1.00 C ATOM 1492 O GLN A 93 -13.398 4.402 -7.379 1.00 1.00 O ATOM 1493 CB GLN A 93 -16.042 3.748 -7.454 1.00 1.00 C ATOM 1494 CG GLN A 93 -17.574 3.711 -7.289 1.00 1.00 C ATOM 1495 CD GLN A 93 -18.202 4.946 -7.944 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -18.861 5.727 -7.287 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -18.023 5.156 -9.219 1.00 1.00 N ATOM 0 H GLN A 93 -16.245 4.791 -4.330 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.410 3.025 -5.540 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.761 4.548 -8.138 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -15.693 2.814 -7.895 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -17.975 2.805 -7.743 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -17.833 3.679 -6.231 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -17.470 4.501 -9.771 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -18.436 5.976 -9.664 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.269 4.759 -5.212 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.849 5.198 -5.293 1.00 1.00 C ATOM 1508 C LEU A 94 -11.195 4.983 -3.916 1.00 1.00 C ATOM 1509 O LEU A 94 -11.385 5.771 -3.014 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.810 6.693 -5.658 1.00 1.00 C ATOM 1511 CG LEU A 94 -10.949 6.915 -6.911 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -11.673 6.378 -8.153 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.686 8.414 -7.084 1.00 1.00 C ATOM 0 H LEU A 94 -13.667 4.769 -4.273 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.313 4.627 -6.051 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.822 7.057 -5.835 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -11.406 7.267 -4.824 1.00 1.00 H new ATOM 0 HG LEU A 94 -10.005 6.384 -6.794 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -11.053 6.541 -9.035 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -11.859 5.311 -8.033 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -12.622 6.900 -8.275 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.075 8.576 -7.972 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.635 8.939 -7.195 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.161 8.795 -6.208 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.439 3.924 -3.749 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.761 3.622 -2.449 1.00 1.00 C ATOM 1527 C PRO A 95 -8.795 4.738 -2.033 1.00 1.00 C ATOM 1528 O PRO A 95 -7.950 5.149 -2.803 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.997 2.313 -2.713 1.00 1.00 C ATOM 1530 CG PRO A 95 -9.579 1.736 -3.964 1.00 1.00 C ATOM 1531 CD PRO A 95 -10.150 2.902 -4.767 1.00 1.00 C ATOM 0 HA PRO A 95 -10.477 3.538 -1.632 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.930 2.502 -2.831 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.108 1.622 -1.877 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -8.816 1.209 -4.537 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -10.358 1.011 -3.729 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.436 3.265 -5.507 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -11.050 2.611 -5.308 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.912 5.239 -0.825 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.994 6.336 -0.387 1.00 1.00 C ATOM 1541 C ILE A 96 -7.626 6.199 1.097 1.00 1.00 C ATOM 1542 O ILE A 96 -6.812 6.953 1.593 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.669 7.696 -0.614 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.948 7.792 0.233 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.031 7.855 -2.093 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.608 8.149 1.687 1.00 1.00 C ATOM 0 H ILE A 96 -9.596 4.939 -0.131 1.00 1.00 H new ATOM 0 HA ILE A 96 -7.081 6.265 -0.978 1.00 1.00 H new ATOM 0 HB ILE A 96 -7.978 8.486 -0.321 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.613 8.547 -0.187 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.484 6.843 0.202 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.510 8.822 -2.249 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.126 7.797 -2.697 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.716 7.060 -2.388 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.527 8.212 2.270 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.962 7.379 2.109 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.093 9.110 1.715 1.00 1.00 H new ATOM 1558 N HIS A 97 -8.208 5.273 1.829 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.847 5.161 3.280 1.00 1.00 C ATOM 1560 C HIS A 97 -7.281 3.771 3.593 1.00 1.00 C ATOM 1561 O HIS A 97 -7.920 2.763 3.379 1.00 1.00 O ATOM 1562 CB HIS A 97 -9.098 5.416 4.135 1.00 1.00 C ATOM 1563 CG HIS A 97 -9.024 6.786 4.756 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -7.879 7.251 5.387 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -9.943 7.802 4.850 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -8.136 8.495 5.830 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -9.378 8.876 5.527 1.00 1.00 N ATOM 0 H HIS A 97 -8.902 4.605 1.493 1.00 1.00 H new ATOM 0 HA HIS A 97 -7.083 5.903 3.511 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.993 5.335 3.519 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -9.177 4.658 4.914 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -10.949 7.771 4.458 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -7.426 9.109 6.364 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -9.820 9.769 5.746 1.00 1.00 H new ATOM 1576 N PHE A 98 -6.086 3.719 4.120 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.471 2.406 4.470 1.00 1.00 C ATOM 1578 C PHE A 98 -5.850 2.052 5.911 1.00 1.00 C ATOM 1579 O PHE A 98 -5.337 2.622 6.854 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.942 2.512 4.354 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.360 1.206 3.856 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.895 -0.018 4.280 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.278 1.224 2.968 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -3.347 -1.221 3.815 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.731 0.022 2.503 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.266 -1.200 2.927 1.00 1.00 C ATOM 0 H PHE A 98 -5.507 4.534 4.324 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.831 1.633 3.791 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.678 3.319 3.671 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.513 2.762 5.325 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -4.730 -0.034 4.965 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -1.865 2.167 2.641 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -3.759 -2.164 4.142 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -0.897 0.038 1.817 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.844 -2.127 2.568 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.742 1.120 6.091 1.00 1.00 N ATOM 1597 CA ALA A 99 -7.146 0.739 7.472 1.00 1.00 C ATOM 1598 C ALA A 99 -5.913 0.285 8.258 1.00 1.00 C ATOM 1599 O ALA A 99 -5.386 1.010 9.077 1.00 1.00 O ATOM 1600 CB ALA A 99 -8.158 -0.405 7.404 1.00 1.00 C ATOM 0 H ALA A 99 -7.208 0.606 5.343 1.00 1.00 H new ATOM 0 HA ALA A 99 -7.597 1.597 7.971 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -8.457 -0.687 8.414 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -9.035 -0.082 6.843 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.705 -1.263 6.907 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.450 -0.912 8.016 1.00 1.00 N ATOM 1607 CA GLY A 100 -4.252 -1.411 8.751 1.00 1.00 C ATOM 1608 C GLY A 100 -3.685 -2.637 8.032 1.00 1.00 C ATOM 1609 O GLY A 100 -3.208 -2.548 6.918 1.00 1.00 O ATOM 0 H GLY A 100 -5.849 -1.565 7.342 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.496 -0.628 8.809 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.522 -1.669 9.775 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.733 -3.781 8.663 1.00 1.00 N ATOM 1614 CA VAL A 101 -3.195 -5.019 8.023 1.00 1.00 C ATOM 1615 C VAL A 101 -4.187 -6.166 8.228 1.00 1.00 C ATOM 1616 O VAL A 101 -5.017 -6.131 9.114 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.855 -5.383 8.667 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -2.046 -5.571 10.173 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -1.334 -6.684 8.053 1.00 1.00 C ATOM 0 H VAL A 101 -4.123 -3.912 9.597 1.00 1.00 H new ATOM 0 HA VAL A 101 -3.051 -4.847 6.956 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.137 -4.582 8.490 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -1.092 -5.830 10.631 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -2.419 -4.645 10.611 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -2.764 -6.372 10.352 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -0.380 -6.945 8.510 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -2.053 -7.484 8.231 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -1.198 -6.551 6.980 1.00 1.00 H new ATOM 1629 N GLY A 102 -4.111 -7.182 7.413 1.00 1.00 N ATOM 1630 CA GLY A 102 -5.052 -8.328 7.561 1.00 1.00 C ATOM 1631 C GLY A 102 -6.487 -7.837 7.365 1.00 1.00 C ATOM 1632 O GLY A 102 -6.723 -6.790 6.796 1.00 1.00 O ATOM 0 H GLY A 102 -3.438 -7.268 6.651 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -4.818 -9.102 6.830 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.942 -8.778 8.548 1.00 1.00 H new ATOM 1636 N SER A 103 -7.450 -8.585 7.831 1.00 1.00 N ATOM 1637 CA SER A 103 -8.868 -8.160 7.668 1.00 1.00 C ATOM 1638 C SER A 103 -9.219 -7.121 8.736 1.00 1.00 C ATOM 1639 O SER A 103 -8.366 -6.649 9.460 1.00 1.00 O ATOM 1640 CB SER A 103 -9.784 -9.375 7.819 1.00 1.00 C ATOM 1641 OG SER A 103 -11.139 -8.954 7.743 1.00 1.00 O ATOM 0 H SER A 103 -7.315 -9.472 8.317 1.00 1.00 H new ATOM 0 HA SER A 103 -9.003 -7.722 6.679 1.00 1.00 H new ATOM 0 HB2 SER A 103 -9.573 -10.103 7.036 1.00 1.00 H new ATOM 0 HB3 SER A 103 -9.598 -9.869 8.773 1.00 1.00 H new ATOM 0 HG SER A 103 -11.729 -9.731 7.838 1.00 1.00 H new