USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 774 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 81 LYS NZ :NH3+ 171:sc= -7.86! (180deg=-4.7!) USER MOD Set 1.2: A 93 TYR OH : rot 77:sc= -1.92! USER MOD Set 1.3: A 94 HIS : no HE2:sc= -38.2! C(o=-48!,f=-39!) USER MOD Set 2.1: A 39 SER OG : rot 174:sc= 0.827 USER MOD Set 2.2: A 46 THR OG1 : rot 67:sc= -3.66! USER MOD Set 2.3: A 65 HIS : no HE2:sc= -20.5! C(o=-23!,f=-36!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ 146:sc= 0.011! (180deg=-2.48!) USER MOD Set 3.2: A 64 TYR OH : rot -91:sc= -8.79! USER MOD Set 4.1: A 48 SER OG : rot -1:sc= -6.3! USER MOD Set 4.2: A 63 HIS : no HD1:sc= -16.7! C(o=-23!,f=-36!) USER MOD Set 5.1: A 13 ASN : amide:sc= -18.6! C(o=-48!,f=-44!) USER MOD Set 5.2: A 35 MET CE :methyl 168:sc= -29! (180deg=-28.6!) USER MOD Single : A 8 THR OG1 : rot -25:sc= 0.0966 USER MOD Single : A 9 TYR OH : rot 165:sc= -0.653 USER MOD Single : A 12 TYR OH : rot 180:sc= -2.47! USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= -2.27! (180deg=-4.15!) USER MOD Single : A 15 SER OG : rot 51:sc= -1.32! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= -5.13! (180deg=-5.78!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 80:sc= -4.98! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -175:sc= -7.14! USER MOD Single : A 44 THR OG1 : rot -166:sc= -2.77! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -158:sc= -0.343 (180deg=-0.634) USER MOD Single : A 69 THR OG1 : rot -109:sc= 1.12 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 121:sc= -1.76! USER MOD Single : A 82 TYR OH : rot 30:sc= -0.654 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -9.04! C(o=-9!,f=-3.1!) USER MOD Single : A 95 GLN : amide:sc= -10! C(o=-10!,f=-7.3!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 0:sc= -8.1! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 37:sc= 0.343 USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -6.863 8.318 5.664 1.00 0.00 N ATOM 36 CA LEU A 6 -5.657 7.583 6.030 1.00 0.00 C ATOM 37 C LEU A 6 -4.768 8.414 6.947 1.00 0.00 C ATOM 38 O LEU A 6 -5.091 8.634 8.115 1.00 0.00 O ATOM 39 CB LEU A 6 -4.872 7.188 4.779 1.00 0.00 C ATOM 40 CG LEU A 6 -5.638 6.336 3.769 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.676 5.458 2.989 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.689 5.489 4.470 1.00 0.00 C ATOM 0 HA LEU A 6 -5.965 6.683 6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.534 8.096 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.980 6.643 5.087 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.148 6.999 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.233 4.855 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.961 6.085 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.142 4.802 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.224 4.889 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.204 4.831 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.393 6.139 4.989 1.00 0.00 H new ATOM 54 N GLU A 7 -3.646 8.868 6.405 1.00 0.00 N ATOM 55 CA GLU A 7 -2.697 9.671 7.161 1.00 0.00 C ATOM 56 C GLU A 7 -2.654 9.234 8.617 1.00 0.00 C ATOM 57 O GLU A 7 -3.427 9.712 9.448 1.00 0.00 O ATOM 58 CB GLU A 7 -3.061 11.152 7.067 1.00 0.00 C ATOM 59 CG GLU A 7 -4.554 11.394 6.945 1.00 0.00 C ATOM 60 CD GLU A 7 -4.879 12.697 6.242 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.887 13.748 6.915 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.125 12.666 5.018 1.00 0.00 O ATOM 0 H GLU A 7 -3.371 8.692 5.439 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.707 9.522 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.687 11.668 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.557 11.589 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.009 10.568 6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.999 11.402 7.940 1.00 0.00 H new ATOM 69 N THR A 8 -1.741 8.321 8.911 1.00 0.00 N ATOM 70 CA THR A 8 -1.572 7.797 10.260 1.00 0.00 C ATOM 71 C THR A 8 -0.970 6.398 10.213 1.00 0.00 C ATOM 72 O THR A 8 -0.461 5.895 11.214 1.00 0.00 O ATOM 73 CB THR A 8 -2.914 7.764 10.990 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.756 7.266 12.306 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.952 6.910 10.296 1.00 0.00 C ATOM 0 H THR A 8 -1.099 7.923 8.226 1.00 0.00 H new ATOM 0 HA THR A 8 -0.893 8.454 10.803 1.00 0.00 H new ATOM 0 HB THR A 8 -3.264 8.796 10.998 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.964 6.691 12.345 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.880 6.930 10.867 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.133 7.300 9.294 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.591 5.884 10.226 1.00 0.00 H new ATOM 83 N TYR A 9 -1.037 5.775 9.041 1.00 0.00 N ATOM 84 CA TYR A 9 -0.503 4.433 8.856 1.00 0.00 C ATOM 85 C TYR A 9 0.950 4.474 8.430 1.00 0.00 C ATOM 86 O TYR A 9 1.302 5.137 7.455 1.00 0.00 O ATOM 87 CB TYR A 9 -1.317 3.684 7.811 1.00 0.00 C ATOM 88 CG TYR A 9 -2.789 3.712 8.119 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.313 2.892 9.104 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.650 4.572 7.447 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.653 2.921 9.416 1.00 0.00 C ATOM 92 CE2 TYR A 9 -4.998 4.603 7.752 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.493 3.777 8.737 1.00 0.00 C ATOM 94 OH TYR A 9 -6.834 3.809 9.046 1.00 0.00 O ATOM 0 H TYR A 9 -1.457 6.180 8.204 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.569 3.914 9.812 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.143 4.126 6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.977 2.650 7.759 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.659 2.218 9.637 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.261 5.223 6.678 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.044 2.276 10.189 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.660 5.271 7.221 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.239 4.614 8.661 1.00 0.00 H new ATOM 104 N GLU A 10 1.791 3.748 9.148 1.00 0.00 N ATOM 105 CA GLU A 10 3.201 3.698 8.810 1.00 0.00 C ATOM 106 C GLU A 10 3.351 3.593 7.307 1.00 0.00 C ATOM 107 O GLU A 10 4.336 4.046 6.733 1.00 0.00 O ATOM 108 CB GLU A 10 3.866 2.487 9.458 1.00 0.00 C ATOM 109 CG GLU A 10 2.872 1.476 9.978 1.00 0.00 C ATOM 110 CD GLU A 10 3.531 0.345 10.743 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.720 0.065 10.481 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.859 -0.261 11.603 1.00 0.00 O ATOM 0 H GLU A 10 1.525 3.191 9.960 1.00 0.00 H new ATOM 0 HA GLU A 10 3.680 4.606 9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.519 2.005 8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.498 2.823 10.280 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.155 1.979 10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.309 1.063 9.141 1.00 0.00 H new ATOM 119 N TRP A 11 2.367 2.958 6.685 1.00 0.00 N ATOM 120 CA TRP A 11 2.379 2.739 5.254 1.00 0.00 C ATOM 121 C TRP A 11 1.863 3.931 4.452 1.00 0.00 C ATOM 122 O TRP A 11 2.330 4.175 3.341 1.00 0.00 O ATOM 123 CB TRP A 11 1.542 1.511 4.932 1.00 0.00 C ATOM 124 CG TRP A 11 0.237 1.438 5.682 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.026 0.753 6.840 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.999 2.044 5.293 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.353 0.892 7.180 1.00 0.00 N ATOM 128 CE2 TRP A 11 -1.968 1.683 6.247 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.376 2.855 4.230 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.292 2.107 6.160 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.687 3.277 4.141 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.633 2.902 5.100 1.00 0.00 C ATOM 0 H TRP A 11 1.545 2.584 7.159 1.00 0.00 H new ATOM 0 HA TRP A 11 3.419 2.595 4.962 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.334 1.497 3.862 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.126 0.618 5.155 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.701 0.187 7.403 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.804 0.474 7.994 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.653 3.151 3.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.022 1.819 6.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.987 3.907 3.317 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.652 3.246 5.002 1.00 0.00 H new ATOM 143 N TYR A 12 0.885 4.656 4.983 1.00 0.00 N ATOM 144 CA TYR A 12 0.325 5.784 4.249 1.00 0.00 C ATOM 145 C TYR A 12 1.278 6.963 4.166 1.00 0.00 C ATOM 146 O TYR A 12 1.942 7.326 5.138 1.00 0.00 O ATOM 147 CB TYR A 12 -0.995 6.252 4.849 1.00 0.00 C ATOM 148 CG TYR A 12 -1.726 7.219 3.943 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.404 6.763 2.822 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.728 8.586 4.199 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.067 7.637 1.983 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.390 9.467 3.366 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.058 8.988 2.259 1.00 0.00 C ATOM 154 OH TYR A 12 -3.718 9.862 1.426 1.00 0.00 O ATOM 0 H TYR A 12 0.471 4.488 5.900 1.00 0.00 H new ATOM 0 HA TYR A 12 0.151 5.413 3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.630 5.388 5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.806 6.730 5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.414 5.706 2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.203 8.965 5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.590 7.264 1.115 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.384 10.525 3.581 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.614 10.776 1.763 1.00 0.00 H new ATOM 164 N ASN A 13 1.310 7.566 2.986 1.00 0.00 N ATOM 165 CA ASN A 13 2.142 8.728 2.724 1.00 0.00 C ATOM 166 C ASN A 13 1.440 9.655 1.741 1.00 0.00 C ATOM 167 O ASN A 13 1.483 9.443 0.530 1.00 0.00 O ATOM 168 CB ASN A 13 3.500 8.297 2.181 1.00 0.00 C ATOM 169 CG ASN A 13 4.575 8.357 3.247 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.421 9.040 4.260 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.669 7.645 3.028 1.00 0.00 N ATOM 0 H ASN A 13 0.759 7.262 2.184 1.00 0.00 H new ATOM 0 HA ASN A 13 2.305 9.266 3.658 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.430 7.281 1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.779 8.940 1.346 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.425 7.649 3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.756 7.093 2.175 1.00 0.00 H new ATOM 178 N LYS A 14 0.771 10.670 2.274 1.00 0.00 N ATOM 179 CA LYS A 14 0.032 11.619 1.451 1.00 0.00 C ATOM 180 C LYS A 14 0.946 12.357 0.474 1.00 0.00 C ATOM 181 O LYS A 14 2.138 12.529 0.726 1.00 0.00 O ATOM 182 CB LYS A 14 -0.698 12.630 2.337 1.00 0.00 C ATOM 183 CG LYS A 14 0.209 13.332 3.334 1.00 0.00 C ATOM 184 CD LYS A 14 -0.551 14.366 4.147 1.00 0.00 C ATOM 185 CE LYS A 14 -1.266 13.730 5.329 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.507 12.572 5.878 1.00 0.00 N ATOM 0 H LYS A 14 0.725 10.857 3.276 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.693 11.050 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.175 13.378 1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.493 12.118 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.653 12.596 4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.029 13.816 2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.141 15.128 4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.277 14.870 3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.408 14.475 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.258 13.400 5.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.846 12.358 6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.650 11.742 5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.506 12.806 5.913 1.00 0.00 H new ATOM 200 N SER A 15 0.364 12.804 -0.637 1.00 0.00 N ATOM 201 CA SER A 15 1.100 13.545 -1.661 1.00 0.00 C ATOM 202 C SER A 15 2.225 12.715 -2.276 1.00 0.00 C ATOM 203 O SER A 15 2.935 13.189 -3.163 1.00 0.00 O ATOM 204 CB SER A 15 1.672 14.832 -1.066 1.00 0.00 C ATOM 205 OG SER A 15 2.046 14.649 0.287 1.00 0.00 O ATOM 0 H SER A 15 -0.623 12.665 -0.853 1.00 0.00 H new ATOM 0 HA SER A 15 0.396 13.786 -2.457 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.539 15.150 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.932 15.629 -1.137 1.00 0.00 H new ATOM 0 HG SER A 15 2.619 13.857 0.364 1.00 0.00 H new ATOM 211 N ILE A 16 2.395 11.486 -1.804 1.00 0.00 N ATOM 212 CA ILE A 16 3.445 10.617 -2.316 1.00 0.00 C ATOM 213 C ILE A 16 3.181 10.173 -3.748 1.00 0.00 C ATOM 214 O ILE A 16 2.042 10.159 -4.215 1.00 0.00 O ATOM 215 CB ILE A 16 3.602 9.351 -1.459 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.883 9.422 -0.639 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.608 8.116 -2.349 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.530 8.072 -0.427 1.00 0.00 C ATOM 0 H ILE A 16 1.821 11.071 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 16 4.357 11.214 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 16 2.758 9.284 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.591 10.082 -1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.662 9.868 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.720 7.224 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.670 8.061 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.439 8.178 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.438 8.192 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.838 7.416 0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.782 7.633 -1.393 1.00 0.00 H new ATOM 230 N SER A 17 4.254 9.778 -4.422 1.00 0.00 N ATOM 231 CA SER A 17 4.175 9.288 -5.788 1.00 0.00 C ATOM 232 C SER A 17 4.827 7.913 -5.876 1.00 0.00 C ATOM 233 O SER A 17 5.033 7.251 -4.859 1.00 0.00 O ATOM 234 CB SER A 17 4.855 10.261 -6.749 1.00 0.00 C ATOM 235 OG SER A 17 4.190 10.292 -8.000 1.00 0.00 O ATOM 0 H SER A 17 5.199 9.789 -4.037 1.00 0.00 H new ATOM 0 HA SER A 17 3.126 9.206 -6.074 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.864 11.260 -6.314 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.895 9.967 -6.894 1.00 0.00 H new ATOM 0 HG SER A 17 4.644 10.924 -8.596 1.00 0.00 H new ATOM 241 N ARG A 18 5.155 7.486 -7.087 1.00 0.00 N ATOM 242 CA ARG A 18 5.788 6.189 -7.287 1.00 0.00 C ATOM 243 C ARG A 18 7.255 6.216 -6.859 1.00 0.00 C ATOM 244 O ARG A 18 7.744 5.285 -6.219 1.00 0.00 O ATOM 245 CB ARG A 18 5.681 5.766 -8.753 1.00 0.00 C ATOM 246 CG ARG A 18 5.720 6.932 -9.727 1.00 0.00 C ATOM 247 CD ARG A 18 6.469 6.570 -10.999 1.00 0.00 C ATOM 248 NE ARG A 18 6.679 7.731 -11.860 1.00 0.00 N ATOM 249 CZ ARG A 18 7.611 7.787 -12.805 1.00 0.00 C ATOM 250 NH1 ARG A 18 8.414 6.752 -13.010 1.00 0.00 N ATOM 251 NH2 ARG A 18 7.741 8.877 -13.548 1.00 0.00 N ATOM 0 H ARG A 18 4.994 8.016 -7.944 1.00 0.00 H new ATOM 0 HA ARG A 18 5.264 5.463 -6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.497 5.082 -8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.752 5.214 -8.896 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.703 7.234 -9.976 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.199 7.788 -9.252 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.433 6.132 -10.740 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.910 5.810 -11.545 1.00 0.00 H new ATOM 0 HE ARG A 18 6.077 8.544 -11.728 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.317 5.911 -12.442 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.129 6.797 -13.736 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.125 9.675 -13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.457 8.918 -14.273 1.00 0.00 H new ATOM 265 N ASP A 19 7.956 7.283 -7.234 1.00 0.00 N ATOM 266 CA ASP A 19 9.373 7.431 -6.911 1.00 0.00 C ATOM 267 C ASP A 19 9.606 7.753 -5.434 1.00 0.00 C ATOM 268 O ASP A 19 10.534 7.230 -4.819 1.00 0.00 O ATOM 269 CB ASP A 19 9.995 8.526 -7.778 1.00 0.00 C ATOM 270 CG ASP A 19 10.226 8.072 -9.205 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.292 8.190 -10.026 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.343 7.600 -9.505 1.00 0.00 O ATOM 0 H ASP A 19 7.564 8.061 -7.764 1.00 0.00 H new ATOM 0 HA ASP A 19 9.850 6.473 -7.117 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.343 9.399 -7.779 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.944 8.837 -7.341 1.00 0.00 H new ATOM 277 N LYS A 20 8.778 8.629 -4.876 1.00 0.00 N ATOM 278 CA LYS A 20 8.923 9.030 -3.478 1.00 0.00 C ATOM 279 C LYS A 20 8.881 7.827 -2.544 1.00 0.00 C ATOM 280 O LYS A 20 9.751 7.664 -1.684 1.00 0.00 O ATOM 281 CB LYS A 20 7.830 10.024 -3.088 1.00 0.00 C ATOM 282 CG LYS A 20 7.733 11.216 -4.022 1.00 0.00 C ATOM 283 CD LYS A 20 6.925 10.878 -5.261 1.00 0.00 C ATOM 284 CE LYS A 20 7.753 11.024 -6.528 1.00 0.00 C ATOM 285 NZ LYS A 20 9.209 11.132 -6.235 1.00 0.00 N ATOM 0 H LYS A 20 8.002 9.074 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 20 9.897 9.508 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.870 9.508 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.019 10.381 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.270 12.054 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.734 11.536 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.552 9.856 -5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.054 11.532 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.577 10.166 -7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.427 11.909 -7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.745 11.111 -7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.398 12.026 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.502 10.335 -5.635 1.00 0.00 H new ATOM 299 N ALA A 21 7.866 6.987 -2.700 1.00 0.00 N ATOM 300 CA ALA A 21 7.742 5.818 -1.847 1.00 0.00 C ATOM 301 C ALA A 21 8.873 4.823 -2.116 1.00 0.00 C ATOM 302 O ALA A 21 9.421 4.221 -1.191 1.00 0.00 O ATOM 303 CB ALA A 21 6.380 5.163 -2.000 1.00 0.00 C ATOM 0 H ALA A 21 7.129 7.092 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 21 7.828 6.149 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.320 4.291 -1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.601 5.875 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.240 4.852 -3.035 1.00 0.00 H new ATOM 309 N GLU A 22 9.254 4.674 -3.376 1.00 0.00 N ATOM 310 CA GLU A 22 10.351 3.779 -3.711 1.00 0.00 C ATOM 311 C GLU A 22 11.610 4.268 -3.004 1.00 0.00 C ATOM 312 O GLU A 22 12.266 3.523 -2.263 1.00 0.00 O ATOM 313 CB GLU A 22 10.573 3.734 -5.224 1.00 0.00 C ATOM 314 CG GLU A 22 9.460 3.027 -5.981 1.00 0.00 C ATOM 315 CD GLU A 22 9.695 3.008 -7.478 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.616 3.713 -7.944 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.960 2.287 -8.186 1.00 0.00 O ATOM 0 H GLU A 22 8.829 5.152 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 22 10.109 2.768 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.666 4.753 -5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.518 3.231 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.372 2.003 -5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.512 3.522 -5.772 1.00 0.00 H new ATOM 324 N LYS A 23 11.914 5.545 -3.217 1.00 0.00 N ATOM 325 CA LYS A 23 13.065 6.177 -2.593 1.00 0.00 C ATOM 326 C LYS A 23 12.914 6.144 -1.079 1.00 0.00 C ATOM 327 O LYS A 23 13.805 5.681 -0.367 1.00 0.00 O ATOM 328 CB LYS A 23 13.198 7.622 -3.070 1.00 0.00 C ATOM 329 CG LYS A 23 11.931 8.436 -2.874 1.00 0.00 C ATOM 330 CD LYS A 23 12.109 9.492 -1.795 1.00 0.00 C ATOM 331 CE LYS A 23 10.832 10.286 -1.574 1.00 0.00 C ATOM 332 NZ LYS A 23 10.822 10.964 -0.249 1.00 0.00 N ATOM 0 H LYS A 23 11.373 6.163 -3.822 1.00 0.00 H new ATOM 0 HA LYS A 23 13.964 5.629 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.017 8.101 -2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.465 7.626 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.657 8.916 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.109 7.773 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.407 9.013 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.915 10.169 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.726 11.030 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.973 9.619 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.935 11.495 -0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.897 10.252 0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.627 11.619 -0.188 1.00 0.00 H new ATOM 346 N LEU A 24 11.767 6.617 -0.587 1.00 0.00 N ATOM 347 CA LEU A 24 11.512 6.610 0.846 1.00 0.00 C ATOM 348 C LEU A 24 11.556 5.179 1.356 1.00 0.00 C ATOM 349 O LEU A 24 12.018 4.917 2.467 1.00 0.00 O ATOM 350 CB LEU A 24 10.160 7.254 1.165 1.00 0.00 C ATOM 351 CG LEU A 24 9.071 6.287 1.631 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.806 7.045 1.981 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.792 5.258 0.555 1.00 0.00 C ATOM 0 H LEU A 24 11.013 7.004 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 24 12.283 7.196 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.308 8.008 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.805 7.774 0.276 1.00 0.00 H new ATOM 0 HG LEU A 24 9.421 5.770 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.040 6.343 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.017 7.754 2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.450 7.584 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.015 4.575 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.458 5.762 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.702 4.696 0.344 1.00 0.00 H new ATOM 365 N LEU A 25 11.093 4.248 0.522 1.00 0.00 N ATOM 366 CA LEU A 25 11.103 2.837 0.881 1.00 0.00 C ATOM 367 C LEU A 25 12.531 2.326 0.952 1.00 0.00 C ATOM 368 O LEU A 25 12.946 1.744 1.953 1.00 0.00 O ATOM 369 CB LEU A 25 10.321 2.010 -0.135 1.00 0.00 C ATOM 370 CG LEU A 25 8.892 1.675 0.283 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.102 1.123 -0.894 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.914 0.687 1.435 1.00 0.00 C ATOM 0 H LEU A 25 10.709 4.448 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 25 10.628 2.735 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.291 2.553 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.859 1.080 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 25 8.396 2.587 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.086 0.891 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.070 1.866 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.583 0.216 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.892 0.450 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.422 -0.225 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.444 1.126 2.280 1.00 0.00 H new ATOM 384 N LEU A 26 13.282 2.551 -0.121 1.00 0.00 N ATOM 385 CA LEU A 26 14.667 2.112 -0.170 1.00 0.00 C ATOM 386 C LEU A 26 15.422 2.595 1.064 1.00 0.00 C ATOM 387 O LEU A 26 16.466 2.052 1.420 1.00 0.00 O ATOM 388 CB LEU A 26 15.349 2.641 -1.429 1.00 0.00 C ATOM 389 CG LEU A 26 15.132 1.800 -2.687 1.00 0.00 C ATOM 390 CD1 LEU A 26 13.655 1.494 -2.877 1.00 0.00 C ATOM 391 CD2 LEU A 26 15.691 2.515 -3.908 1.00 0.00 C ATOM 0 H LEU A 26 12.956 3.031 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 26 14.679 1.022 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.990 3.652 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.420 2.714 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 26 15.664 0.857 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.520 0.895 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.284 0.941 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.100 2.427 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.528 1.902 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.186 3.473 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.760 2.682 -3.774 1.00 0.00 H new ATOM 403 N ASP A 27 14.880 3.623 1.711 1.00 0.00 N ATOM 404 CA ASP A 27 15.496 4.186 2.905 1.00 0.00 C ATOM 405 C ASP A 27 15.807 3.092 3.919 1.00 0.00 C ATOM 406 O ASP A 27 16.910 3.030 4.462 1.00 0.00 O ATOM 407 CB ASP A 27 14.576 5.234 3.533 1.00 0.00 C ATOM 408 CG ASP A 27 15.066 5.693 4.893 1.00 0.00 C ATOM 409 OD1 ASP A 27 14.906 4.932 5.869 1.00 0.00 O ATOM 410 OD2 ASP A 27 15.610 6.815 4.980 1.00 0.00 O ATOM 0 H ASP A 27 14.015 4.082 1.427 1.00 0.00 H new ATOM 0 HA ASP A 27 16.431 4.664 2.613 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.502 6.094 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.573 4.820 3.632 1.00 0.00 H new ATOM 415 N THR A 28 14.831 2.224 4.167 1.00 0.00 N ATOM 416 CA THR A 28 15.013 1.128 5.113 1.00 0.00 C ATOM 417 C THR A 28 15.496 -0.118 4.405 1.00 0.00 C ATOM 418 O THR A 28 16.496 -0.726 4.784 1.00 0.00 O ATOM 419 CB THR A 28 13.703 0.786 5.825 1.00 0.00 C ATOM 420 OG1 THR A 28 13.724 -0.556 6.278 1.00 0.00 O ATOM 421 CG2 THR A 28 12.471 0.955 4.961 1.00 0.00 C ATOM 0 H THR A 28 13.911 2.257 3.729 1.00 0.00 H new ATOM 0 HA THR A 28 15.753 1.460 5.841 1.00 0.00 H new ATOM 0 HB THR A 28 13.637 1.493 6.652 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.236 -0.612 7.112 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.584 0.693 5.537 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.397 1.991 4.632 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.544 0.302 4.091 1.00 0.00 H new ATOM 429 N GLY A 29 14.738 -0.510 3.400 1.00 0.00 N ATOM 430 CA GLY A 29 15.051 -1.714 2.663 1.00 0.00 C ATOM 431 C GLY A 29 14.263 -2.868 3.228 1.00 0.00 C ATOM 432 O GLY A 29 14.614 -4.035 3.055 1.00 0.00 O ATOM 0 H GLY A 29 13.907 -0.015 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.813 -1.579 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.119 -1.924 2.725 1.00 0.00 H new ATOM 436 N LYS A 30 13.198 -2.510 3.935 1.00 0.00 N ATOM 437 CA LYS A 30 12.321 -3.468 4.584 1.00 0.00 C ATOM 438 C LYS A 30 11.953 -4.620 3.673 1.00 0.00 C ATOM 439 O LYS A 30 11.765 -4.442 2.469 1.00 0.00 O ATOM 440 CB LYS A 30 11.034 -2.776 5.045 1.00 0.00 C ATOM 441 CG LYS A 30 11.265 -1.586 5.956 1.00 0.00 C ATOM 442 CD LYS A 30 11.631 -2.038 7.354 1.00 0.00 C ATOM 443 CE LYS A 30 12.212 -3.435 7.328 1.00 0.00 C ATOM 444 NZ LYS A 30 12.143 -4.095 8.662 1.00 0.00 N ATOM 0 H LYS A 30 12.919 -1.539 4.073 1.00 0.00 H new ATOM 0 HA LYS A 30 12.868 -3.868 5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.477 -2.446 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.409 -3.502 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.062 -0.962 5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.366 -0.971 5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.353 -1.346 7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.747 -2.018 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.673 -4.038 6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.250 -3.389 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.552 -5.049 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.679 -3.534 9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.150 -4.163 8.965 1.00 0.00 H new ATOM 458 N GLU A 31 11.804 -5.799 4.266 1.00 0.00 N ATOM 459 CA GLU A 31 11.404 -6.959 3.502 1.00 0.00 C ATOM 460 C GLU A 31 9.888 -6.969 3.407 1.00 0.00 C ATOM 461 O GLU A 31 9.190 -7.231 4.386 1.00 0.00 O ATOM 462 CB GLU A 31 11.903 -8.244 4.168 1.00 0.00 C ATOM 463 CG GLU A 31 10.891 -9.377 4.138 1.00 0.00 C ATOM 464 CD GLU A 31 11.340 -10.580 4.943 1.00 0.00 C ATOM 465 OE1 GLU A 31 11.157 -10.570 6.179 1.00 0.00 O ATOM 466 OE2 GLU A 31 11.876 -11.534 4.339 1.00 0.00 O ATOM 0 H GLU A 31 11.953 -5.969 5.261 1.00 0.00 H new ATOM 0 HA GLU A 31 11.842 -6.911 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.816 -8.570 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.164 -8.029 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.938 -9.019 4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.720 -9.679 3.105 1.00 0.00 H new ATOM 473 N GLY A 32 9.391 -6.652 2.226 1.00 0.00 N ATOM 474 CA GLY A 32 7.960 -6.596 2.015 1.00 0.00 C ATOM 475 C GLY A 32 7.374 -5.338 2.617 1.00 0.00 C ATOM 476 O GLY A 32 6.275 -5.354 3.172 1.00 0.00 O ATOM 0 H GLY A 32 9.954 -6.431 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.744 -6.627 0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.488 -7.471 2.461 1.00 0.00 H new ATOM 480 N ALA A 33 8.122 -4.244 2.508 1.00 0.00 N ATOM 481 CA ALA A 33 7.690 -2.964 3.049 1.00 0.00 C ATOM 482 C ALA A 33 6.420 -2.482 2.358 1.00 0.00 C ATOM 483 O ALA A 33 6.249 -2.676 1.155 1.00 0.00 O ATOM 484 CB ALA A 33 8.804 -1.938 2.911 1.00 0.00 C ATOM 0 H ALA A 33 9.032 -4.221 2.048 1.00 0.00 H new ATOM 0 HA ALA A 33 7.463 -3.093 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.472 -0.983 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.683 -2.280 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.057 -1.815 1.858 1.00 0.00 H new ATOM 490 N PHE A 34 5.522 -1.870 3.125 1.00 0.00 N ATOM 491 CA PHE A 34 4.265 -1.388 2.573 1.00 0.00 C ATOM 492 C PHE A 34 4.058 0.105 2.795 1.00 0.00 C ATOM 493 O PHE A 34 4.321 0.631 3.871 1.00 0.00 O ATOM 494 CB PHE A 34 3.101 -2.133 3.195 1.00 0.00 C ATOM 495 CG PHE A 34 1.824 -1.373 3.081 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.310 -1.058 1.838 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.129 -0.979 4.204 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.130 -0.359 1.720 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.043 -0.289 4.088 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.548 0.029 2.851 1.00 0.00 C ATOM 0 H PHE A 34 5.642 -1.698 4.123 1.00 0.00 H new ATOM 0 HA PHE A 34 4.311 -1.568 1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.990 -3.102 2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.315 -2.326 4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.840 -1.364 0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.515 -1.218 5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.261 -0.117 0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.578 0.010 4.977 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.473 0.581 2.767 1.00 0.00 H new ATOM 510 N MET A 35 3.557 0.775 1.766 1.00 0.00 N ATOM 511 CA MET A 35 3.281 2.202 1.843 1.00 0.00 C ATOM 512 C MET A 35 2.017 2.539 1.062 1.00 0.00 C ATOM 513 O MET A 35 1.554 1.742 0.250 1.00 0.00 O ATOM 514 CB MET A 35 4.465 2.998 1.300 1.00 0.00 C ATOM 515 CG MET A 35 4.184 4.479 1.139 1.00 0.00 C ATOM 516 SD MET A 35 4.421 5.383 2.676 1.00 0.00 S ATOM 517 CE MET A 35 6.088 4.883 3.093 1.00 0.00 C ATOM 0 H MET A 35 3.333 0.351 0.866 1.00 0.00 H new ATOM 0 HA MET A 35 3.127 2.472 2.888 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.315 2.870 1.970 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.756 2.586 0.334 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.840 4.891 0.372 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.160 4.618 0.791 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.466 5.513 3.898 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.085 3.842 3.417 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.729 4.989 2.218 1.00 0.00 H new ATOM 527 N VAL A 36 1.466 3.723 1.303 1.00 0.00 N ATOM 528 CA VAL A 36 0.260 4.155 0.601 1.00 0.00 C ATOM 529 C VAL A 36 0.332 5.628 0.237 1.00 0.00 C ATOM 530 O VAL A 36 0.978 6.418 0.926 1.00 0.00 O ATOM 531 CB VAL A 36 -1.020 3.904 1.415 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.236 4.441 0.675 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.176 2.422 1.696 1.00 0.00 C ATOM 0 H VAL A 36 1.831 4.398 1.975 1.00 0.00 H new ATOM 0 HA VAL A 36 0.212 3.553 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.940 4.432 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.133 4.255 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.122 5.513 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.326 3.940 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.086 2.255 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.239 1.878 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.316 2.067 2.264 1.00 0.00 H new ATOM 543 N ARG A 37 -0.324 5.991 -0.856 1.00 0.00 N ATOM 544 CA ARG A 37 -0.322 7.370 -1.316 1.00 0.00 C ATOM 545 C ARG A 37 -1.625 7.717 -2.030 1.00 0.00 C ATOM 546 O ARG A 37 -2.078 6.988 -2.912 1.00 0.00 O ATOM 547 CB ARG A 37 0.880 7.598 -2.231 1.00 0.00 C ATOM 548 CG ARG A 37 0.542 7.634 -3.709 1.00 0.00 C ATOM 549 CD ARG A 37 1.466 6.717 -4.492 1.00 0.00 C ATOM 550 NE ARG A 37 1.665 7.166 -5.869 1.00 0.00 N ATOM 551 CZ ARG A 37 0.679 7.538 -6.683 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.580 7.495 -6.275 1.00 0.00 N ATOM 553 NH2 ARG A 37 0.957 7.945 -7.914 1.00 0.00 N ATOM 0 H ARG A 37 -0.863 5.350 -1.439 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.243 8.029 -0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.357 8.539 -1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.610 6.807 -2.056 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.494 7.329 -3.858 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.631 8.654 -4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.431 6.662 -3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.052 5.709 -4.498 1.00 0.00 H new ATOM 0 HE ARG A 37 2.619 7.196 -6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.800 7.175 -5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.330 7.782 -6.904 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.925 7.973 -8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.203 8.230 -8.539 1.00 0.00 H new ATOM 567 N ASP A 38 -2.226 8.831 -1.630 1.00 0.00 N ATOM 568 CA ASP A 38 -3.484 9.280 -2.215 1.00 0.00 C ATOM 569 C ASP A 38 -3.343 9.539 -3.710 1.00 0.00 C ATOM 570 O ASP A 38 -2.277 9.932 -4.187 1.00 0.00 O ATOM 571 CB ASP A 38 -3.978 10.545 -1.509 1.00 0.00 C ATOM 572 CG ASP A 38 -5.184 11.156 -2.196 1.00 0.00 C ATOM 573 OD1 ASP A 38 -4.993 11.906 -3.176 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.319 10.884 -1.752 1.00 0.00 O ATOM 0 H ASP A 38 -1.861 9.442 -0.900 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.216 8.484 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.234 10.306 -0.477 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.172 11.278 -1.476 1.00 0.00 H new ATOM 579 N SER A 39 -4.428 9.310 -4.444 1.00 0.00 N ATOM 580 CA SER A 39 -4.435 9.511 -5.886 1.00 0.00 C ATOM 581 C SER A 39 -5.655 10.318 -6.321 1.00 0.00 C ATOM 582 O SER A 39 -6.474 10.722 -5.495 1.00 0.00 O ATOM 583 CB SER A 39 -4.430 8.159 -6.598 1.00 0.00 C ATOM 584 OG SER A 39 -3.107 7.686 -6.787 1.00 0.00 O ATOM 0 H SER A 39 -5.315 8.984 -4.061 1.00 0.00 H new ATOM 0 HA SER A 39 -3.539 10.070 -6.157 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.998 7.435 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.928 8.251 -7.563 1.00 0.00 H new ATOM 0 HG SER A 39 -3.134 6.780 -7.160 1.00 0.00 H new ATOM 590 N ARG A 40 -5.771 10.545 -7.626 1.00 0.00 N ATOM 591 CA ARG A 40 -6.893 11.297 -8.178 1.00 0.00 C ATOM 592 C ARG A 40 -7.829 10.374 -8.951 1.00 0.00 C ATOM 593 O ARG A 40 -7.918 10.445 -10.177 1.00 0.00 O ATOM 594 CB ARG A 40 -6.386 12.415 -9.093 1.00 0.00 C ATOM 595 CG ARG A 40 -6.131 13.725 -8.369 1.00 0.00 C ATOM 596 CD ARG A 40 -7.408 14.288 -7.767 1.00 0.00 C ATOM 597 NE ARG A 40 -7.621 15.683 -8.140 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.880 16.689 -7.684 1.00 0.00 C ATOM 599 NH1 ARG A 40 -5.884 16.451 -6.842 1.00 0.00 N ATOM 600 NH2 ARG A 40 -7.134 17.931 -8.070 1.00 0.00 N ATOM 0 H ARG A 40 -5.101 10.218 -8.322 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.447 11.742 -7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.463 12.089 -9.573 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.115 12.583 -9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.394 13.569 -7.581 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.705 14.449 -9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.258 13.691 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.363 14.206 -6.681 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.380 15.898 -8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.686 15.496 -6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.316 17.223 -6.493 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.899 18.117 -8.718 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.564 18.701 -7.719 1.00 0.00 H new ATOM 614 N THR A 41 -8.517 9.501 -8.225 1.00 0.00 N ATOM 615 CA THR A 41 -9.440 8.550 -8.833 1.00 0.00 C ATOM 616 C THR A 41 -10.712 8.423 -7.988 1.00 0.00 C ATOM 617 O THR A 41 -11.003 9.296 -7.171 1.00 0.00 O ATOM 618 CB THR A 41 -8.741 7.198 -8.987 1.00 0.00 C ATOM 619 OG1 THR A 41 -9.216 6.508 -10.129 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.909 6.294 -7.787 1.00 0.00 C ATOM 0 H THR A 41 -8.453 9.432 -7.209 1.00 0.00 H new ATOM 0 HA THR A 41 -9.735 8.907 -9.819 1.00 0.00 H new ATOM 0 HB THR A 41 -7.682 7.434 -9.090 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.813 5.615 -10.163 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.388 5.353 -7.965 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.491 6.779 -6.905 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.969 6.097 -7.625 1.00 0.00 H new ATOM 628 N PRO A 42 -11.499 7.344 -8.173 1.00 0.00 N ATOM 629 CA PRO A 42 -12.741 7.132 -7.424 1.00 0.00 C ATOM 630 C PRO A 42 -12.646 7.538 -5.952 1.00 0.00 C ATOM 631 O PRO A 42 -13.653 7.556 -5.244 1.00 0.00 O ATOM 632 CB PRO A 42 -12.957 5.630 -7.561 1.00 0.00 C ATOM 633 CG PRO A 42 -12.422 5.314 -8.914 1.00 0.00 C ATOM 634 CD PRO A 42 -11.255 6.246 -9.133 1.00 0.00 C ATOM 0 HA PRO A 42 -13.557 7.744 -7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.429 5.078 -6.784 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.012 5.369 -7.477 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.105 4.273 -8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.185 5.460 -9.678 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.304 5.749 -8.940 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.221 6.611 -10.159 1.00 0.00 H new ATOM 642 N GLY A 43 -11.443 7.875 -5.496 1.00 0.00 N ATOM 643 CA GLY A 43 -11.269 8.284 -4.112 1.00 0.00 C ATOM 644 C GLY A 43 -10.458 7.301 -3.298 1.00 0.00 C ATOM 645 O GLY A 43 -10.475 7.336 -2.068 1.00 0.00 O ATOM 0 H GLY A 43 -10.590 7.873 -6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.780 9.258 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.249 8.407 -3.650 1.00 0.00 H new ATOM 649 N THR A 44 -9.750 6.425 -3.987 1.00 0.00 N ATOM 650 CA THR A 44 -8.925 5.419 -3.332 1.00 0.00 C ATOM 651 C THR A 44 -7.564 5.980 -2.945 1.00 0.00 C ATOM 652 O THR A 44 -7.349 7.192 -2.947 1.00 0.00 O ATOM 653 CB THR A 44 -8.723 4.228 -4.259 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.378 3.787 -4.221 1.00 0.00 O ATOM 655 CG2 THR A 44 -9.061 4.536 -5.699 1.00 0.00 C ATOM 0 H THR A 44 -9.728 6.388 -5.006 1.00 0.00 H new ATOM 0 HA THR A 44 -9.444 5.107 -2.426 1.00 0.00 H new ATOM 0 HB THR A 44 -9.402 3.456 -3.896 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.214 3.173 -4.967 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.897 3.648 -6.309 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.106 4.837 -5.771 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.425 5.345 -6.057 1.00 0.00 H new ATOM 663 N TYR A 45 -6.648 5.073 -2.630 1.00 0.00 N ATOM 664 CA TYR A 45 -5.294 5.443 -2.256 1.00 0.00 C ATOM 665 C TYR A 45 -4.288 4.494 -2.894 1.00 0.00 C ATOM 666 O TYR A 45 -4.632 3.378 -3.291 1.00 0.00 O ATOM 667 CB TYR A 45 -5.133 5.433 -0.738 1.00 0.00 C ATOM 668 CG TYR A 45 -6.260 6.126 -0.015 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.522 5.556 0.034 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.065 7.348 0.615 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.563 6.180 0.690 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.101 7.983 1.273 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.349 7.395 1.308 1.00 0.00 C ATOM 674 OH TYR A 45 -9.383 8.022 1.963 1.00 0.00 O ATOM 0 H TYR A 45 -6.823 4.068 -2.627 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.104 6.453 -2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.069 4.401 -0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.191 5.915 -0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.694 4.606 -0.450 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.089 7.809 0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.540 5.720 0.720 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.935 8.934 1.757 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.064 8.867 2.344 1.00 0.00 H new ATOM 684 N THR A 46 -3.045 4.943 -2.997 1.00 0.00 N ATOM 685 CA THR A 46 -1.989 4.133 -3.589 1.00 0.00 C ATOM 686 C THR A 46 -1.221 3.385 -2.504 1.00 0.00 C ATOM 687 O THR A 46 -1.165 3.835 -1.362 1.00 0.00 O ATOM 688 CB THR A 46 -1.039 5.017 -4.390 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.766 5.937 -5.186 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.134 4.229 -5.310 1.00 0.00 C ATOM 0 H THR A 46 -2.743 5.864 -2.678 1.00 0.00 H new ATOM 0 HA THR A 46 -2.443 3.403 -4.259 1.00 0.00 H new ATOM 0 HB THR A 46 -0.424 5.533 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.225 6.580 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.518 4.913 -5.853 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.472 3.540 -4.722 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.739 3.665 -6.020 1.00 0.00 H new ATOM 698 N VAL A 47 -0.637 2.240 -2.858 1.00 0.00 N ATOM 699 CA VAL A 47 0.117 1.445 -1.895 1.00 0.00 C ATOM 700 C VAL A 47 1.517 1.133 -2.394 1.00 0.00 C ATOM 701 O VAL A 47 1.691 0.377 -3.347 1.00 0.00 O ATOM 702 CB VAL A 47 -0.579 0.111 -1.572 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.393 -0.828 -0.865 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.826 0.342 -0.731 1.00 0.00 C ATOM 0 H VAL A 47 -0.672 1.846 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 47 0.172 2.055 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.892 -0.356 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.109 -1.769 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.250 -1.019 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.733 -0.368 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.301 -0.615 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.549 0.829 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.522 0.977 -1.279 1.00 0.00 H new ATOM 714 N SER A 48 2.518 1.684 -1.722 1.00 0.00 N ATOM 715 CA SER A 48 3.896 1.415 -2.089 1.00 0.00 C ATOM 716 C SER A 48 4.381 0.189 -1.332 1.00 0.00 C ATOM 717 O SER A 48 4.536 0.224 -0.111 1.00 0.00 O ATOM 718 CB SER A 48 4.817 2.610 -1.794 1.00 0.00 C ATOM 719 OG SER A 48 5.137 3.310 -2.983 1.00 0.00 O ATOM 0 H SER A 48 2.401 2.314 -0.928 1.00 0.00 H new ATOM 0 HA SER A 48 3.932 1.237 -3.164 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.329 3.285 -1.091 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.732 2.259 -1.317 1.00 0.00 H new ATOM 0 HG SER A 48 4.717 2.864 -3.748 1.00 0.00 H new ATOM 725 N VAL A 49 4.614 -0.895 -2.056 1.00 0.00 N ATOM 726 CA VAL A 49 5.078 -2.126 -1.441 1.00 0.00 C ATOM 727 C VAL A 49 6.532 -2.358 -1.799 1.00 0.00 C ATOM 728 O VAL A 49 6.879 -2.564 -2.965 1.00 0.00 O ATOM 729 CB VAL A 49 4.234 -3.338 -1.875 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.749 -3.020 -1.763 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.596 -3.761 -3.290 1.00 0.00 C ATOM 0 H VAL A 49 4.489 -0.946 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 49 4.973 -2.020 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 49 4.453 -4.171 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.167 -3.887 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.507 -2.772 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.509 -2.173 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.989 -4.619 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.408 -2.935 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.651 -4.032 -3.330 1.00 0.00 H new ATOM 741 N PHE A 50 7.385 -2.276 -0.790 1.00 0.00 N ATOM 742 CA PHE A 50 8.814 -2.428 -0.983 1.00 0.00 C ATOM 743 C PHE A 50 9.311 -3.814 -0.591 1.00 0.00 C ATOM 744 O PHE A 50 8.970 -4.341 0.471 1.00 0.00 O ATOM 745 CB PHE A 50 9.551 -1.371 -0.173 1.00 0.00 C ATOM 746 CG PHE A 50 11.024 -1.591 -0.118 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.544 -2.642 0.610 1.00 0.00 C ATOM 748 CD2 PHE A 50 11.889 -0.749 -0.796 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.900 -2.853 0.665 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.249 -0.954 -0.746 1.00 0.00 C ATOM 751 CZ PHE A 50 13.755 -2.006 -0.017 1.00 0.00 C ATOM 0 H PHE A 50 7.107 -2.104 0.176 1.00 0.00 H new ATOM 0 HA PHE A 50 9.016 -2.301 -2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.353 -0.390 -0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.154 -1.359 0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.878 -3.305 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.493 0.076 -1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.297 -3.677 1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.917 -0.292 -1.277 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.822 -2.171 0.023 1.00 0.00 H new ATOM 761 N THR A 51 10.138 -4.382 -1.460 1.00 0.00 N ATOM 762 CA THR A 51 10.719 -5.697 -1.237 1.00 0.00 C ATOM 763 C THR A 51 12.129 -5.566 -0.673 1.00 0.00 C ATOM 764 O THR A 51 13.025 -5.060 -1.345 1.00 0.00 O ATOM 765 CB THR A 51 10.762 -6.466 -2.555 1.00 0.00 C ATOM 766 OG1 THR A 51 9.559 -7.186 -2.760 1.00 0.00 O ATOM 767 CG2 THR A 51 11.908 -7.449 -2.638 1.00 0.00 C ATOM 0 H THR A 51 10.423 -3.944 -2.336 1.00 0.00 H new ATOM 0 HA THR A 51 10.103 -6.237 -0.518 1.00 0.00 H new ATOM 0 HB THR A 51 10.900 -5.707 -3.325 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.608 -7.670 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.879 -7.961 -3.600 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.853 -6.915 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.819 -8.180 -1.835 1.00 0.00 H new ATOM 899 N CYS A 60 12.388 -5.094 -5.092 1.00 0.00 N ATOM 900 CA CYS A 60 11.639 -4.105 -5.860 1.00 0.00 C ATOM 901 C CYS A 60 10.487 -3.510 -5.056 1.00 0.00 C ATOM 902 O CYS A 60 9.935 -4.155 -4.165 1.00 0.00 O ATOM 903 CB CYS A 60 11.086 -4.749 -7.132 1.00 0.00 C ATOM 904 SG CYS A 60 11.139 -3.679 -8.588 1.00 0.00 S ATOM 0 HA CYS A 60 12.326 -3.297 -6.112 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.652 -5.657 -7.342 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.054 -5.050 -6.954 1.00 0.00 H new ATOM 0 HG CYS A 60 10.652 -4.315 -9.612 1.00 0.00 H new ATOM 910 N ILE A 61 10.110 -2.281 -5.405 1.00 0.00 N ATOM 911 CA ILE A 61 9.000 -1.599 -4.750 1.00 0.00 C ATOM 912 C ILE A 61 7.839 -1.463 -5.721 1.00 0.00 C ATOM 913 O ILE A 61 7.982 -0.872 -6.792 1.00 0.00 O ATOM 914 CB ILE A 61 9.393 -0.199 -4.241 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.496 -0.314 -3.189 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.175 0.523 -3.672 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.771 -0.930 -3.720 1.00 0.00 C ATOM 0 H ILE A 61 10.560 -1.737 -6.141 1.00 0.00 H new ATOM 0 HA ILE A 61 8.713 -2.202 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 61 9.773 0.386 -5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.717 0.678 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.131 -0.914 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.470 1.510 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.418 0.628 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.765 -0.053 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.511 -0.981 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.564 -1.935 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.159 -0.318 -4.535 1.00 0.00 H new ATOM 929 N LYS A 62 6.698 -2.024 -5.356 1.00 0.00 N ATOM 930 CA LYS A 62 5.527 -1.972 -6.220 1.00 0.00 C ATOM 931 C LYS A 62 4.454 -1.053 -5.649 1.00 0.00 C ATOM 932 O LYS A 62 4.120 -1.127 -4.466 1.00 0.00 O ATOM 933 CB LYS A 62 4.962 -3.377 -6.427 1.00 0.00 C ATOM 934 CG LYS A 62 6.032 -4.444 -6.588 1.00 0.00 C ATOM 935 CD LYS A 62 5.480 -5.691 -7.262 1.00 0.00 C ATOM 936 CE LYS A 62 4.589 -5.339 -8.443 1.00 0.00 C ATOM 937 NZ LYS A 62 3.145 -5.510 -8.120 1.00 0.00 N ATOM 0 H LYS A 62 6.556 -2.517 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 62 5.839 -1.565 -7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.329 -3.634 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.325 -3.377 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.858 -4.046 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.436 -4.706 -5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.305 -6.318 -7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.912 -6.276 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.774 -4.308 -8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.848 -5.969 -9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.589 -4.790 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.833 -6.457 -8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.003 -5.403 -7.095 1.00 0.00 H new ATOM 951 N HIS A 63 3.913 -0.189 -6.502 1.00 0.00 N ATOM 952 CA HIS A 63 2.876 0.741 -6.088 1.00 0.00 C ATOM 953 C HIS A 63 1.494 0.161 -6.362 1.00 0.00 C ATOM 954 O HIS A 63 1.038 0.121 -7.504 1.00 0.00 O ATOM 955 CB HIS A 63 3.039 2.071 -6.823 1.00 0.00 C ATOM 956 CG HIS A 63 4.376 2.710 -6.613 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.786 3.257 -5.418 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.409 2.881 -7.477 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.027 3.734 -5.589 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.451 3.530 -6.821 1.00 0.00 N ATOM 0 H HIS A 63 4.178 -0.116 -7.484 1.00 0.00 H new ATOM 0 HA HIS A 63 2.974 0.912 -5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.887 1.908 -7.890 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.261 2.758 -6.491 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.420 2.564 -8.509 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.605 4.222 -4.818 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.355 3.793 -7.212 1.00 0.00 H new ATOM 968 N TYR A 64 0.835 -0.292 -5.303 1.00 0.00 N ATOM 969 CA TYR A 64 -0.494 -0.875 -5.415 1.00 0.00 C ATOM 970 C TYR A 64 -1.568 0.144 -5.088 1.00 0.00 C ATOM 971 O TYR A 64 -1.625 0.661 -3.975 1.00 0.00 O ATOM 972 CB TYR A 64 -0.623 -2.069 -4.475 1.00 0.00 C ATOM 973 CG TYR A 64 0.476 -3.073 -4.654 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.276 -3.043 -5.781 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.710 -4.047 -3.702 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.287 -3.962 -5.959 1.00 0.00 C ATOM 977 CE2 TYR A 64 1.720 -4.975 -3.866 1.00 0.00 C ATOM 978 CZ TYR A 64 2.507 -4.929 -4.999 1.00 0.00 C ATOM 979 OH TYR A 64 3.514 -5.850 -5.171 1.00 0.00 O ATOM 0 H TYR A 64 1.203 -0.266 -4.352 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.630 -1.203 -6.445 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.621 -1.715 -3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.584 -2.555 -4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.106 -2.287 -6.534 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.094 -4.083 -2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.904 -3.926 -6.845 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.892 -5.730 -3.114 1.00 0.00 H new ATOM 0 HH TYR A 64 3.160 -6.640 -5.630 1.00 0.00 H new ATOM 989 N HIS A 65 -2.430 0.419 -6.054 1.00 0.00 N ATOM 990 CA HIS A 65 -3.506 1.362 -5.830 1.00 0.00 C ATOM 991 C HIS A 65 -4.727 0.646 -5.310 1.00 0.00 C ATOM 992 O HIS A 65 -5.015 -0.483 -5.704 1.00 0.00 O ATOM 993 CB HIS A 65 -3.868 2.130 -7.094 1.00 0.00 C ATOM 994 CG HIS A 65 -4.171 3.552 -6.808 1.00 0.00 C ATOM 995 ND1 HIS A 65 -4.147 4.085 -5.548 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.512 4.559 -7.638 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.466 5.374 -5.644 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.699 5.718 -6.895 1.00 0.00 N ATOM 0 H HIS A 65 -2.405 0.008 -6.987 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.154 2.081 -5.090 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.043 2.070 -7.804 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.731 1.663 -7.568 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.924 3.584 -4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.622 4.477 -8.709 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.526 6.051 -4.805 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.449 1.306 -4.425 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.645 0.709 -3.867 1.00 0.00 C ATOM 1008 C ILE A 66 -7.833 0.985 -4.772 1.00 0.00 C ATOM 1009 O ILE A 66 -8.353 2.095 -4.814 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.942 1.234 -2.448 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.646 1.616 -1.729 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.695 0.186 -1.644 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.418 0.932 -2.286 1.00 0.00 C ATOM 0 H ILE A 66 -5.232 2.242 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.474 -0.365 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.563 2.125 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.510 2.696 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.741 1.369 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.898 0.571 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.637 -0.047 -2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.091 -0.718 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.539 1.251 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.532 -0.148 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.297 1.199 -3.336 1.00 0.00 H new ATOM 1025 N LYS A 67 -8.265 -0.034 -5.497 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.395 0.109 -6.394 1.00 0.00 C ATOM 1027 C LYS A 67 -10.680 0.193 -5.587 1.00 0.00 C ATOM 1028 O LYS A 67 -10.764 -0.371 -4.496 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.455 -1.063 -7.374 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.540 -0.919 -8.428 1.00 0.00 C ATOM 1031 CD LYS A 67 -10.200 0.171 -9.431 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.711 0.476 -9.440 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.935 -0.573 -10.159 1.00 0.00 N ATOM 0 H LYS A 67 -7.850 -0.966 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.276 1.026 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.489 -1.161 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.622 -1.984 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.670 -1.867 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.489 -0.688 -7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.515 -0.139 -10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.756 1.076 -9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.541 1.443 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.350 0.556 -8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.945 -0.550 -9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.343 -1.508 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.975 -0.394 -11.183 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.669 0.903 -6.124 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.955 1.081 -5.453 1.00 0.00 C ATOM 1049 C GLU A 68 -14.068 0.410 -6.248 1.00 0.00 C ATOM 1050 O GLU A 68 -14.127 0.532 -7.472 1.00 0.00 O ATOM 1051 CB GLU A 68 -13.260 2.578 -5.315 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.890 3.165 -3.964 1.00 0.00 C ATOM 1053 CD GLU A 68 -11.484 2.801 -3.530 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -10.767 2.155 -4.321 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -11.099 3.165 -2.399 1.00 0.00 O ATOM 0 H GLU A 68 -11.603 1.368 -7.029 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.900 0.623 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.724 3.120 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.324 2.739 -5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.982 4.250 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.599 2.814 -3.214 1.00 0.00 H new ATOM 1062 N THR A 69 -14.949 -0.298 -5.550 1.00 0.00 N ATOM 1063 CA THR A 69 -16.057 -0.981 -6.200 1.00 0.00 C ATOM 1064 C THR A 69 -17.385 -0.418 -5.720 1.00 0.00 C ATOM 1065 O THR A 69 -17.461 0.725 -5.269 1.00 0.00 O ATOM 1066 CB THR A 69 -15.994 -2.483 -5.919 1.00 0.00 C ATOM 1067 OG1 THR A 69 -17.064 -2.883 -5.083 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.705 -2.915 -5.254 1.00 0.00 C ATOM 0 H THR A 69 -14.916 -0.413 -4.537 1.00 0.00 H new ATOM 0 HA THR A 69 -15.977 -0.819 -7.275 1.00 0.00 H new ATOM 0 HB THR A 69 -16.057 -2.961 -6.896 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.718 -3.110 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.727 -3.991 -5.083 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.862 -2.667 -5.899 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.597 -2.399 -4.300 1.00 0.00 H new ATOM 1127 N LYS A 74 -16.542 -3.491 0.970 1.00 0.00 N ATOM 1128 CA LYS A 74 -15.942 -4.136 -0.191 1.00 0.00 C ATOM 1129 C LYS A 74 -15.906 -3.202 -1.388 1.00 0.00 C ATOM 1130 O LYS A 74 -16.298 -3.572 -2.493 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.708 -5.414 -0.534 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.093 -6.669 0.060 1.00 0.00 C ATOM 1133 CD LYS A 74 -16.866 -7.143 1.280 1.00 0.00 C ATOM 1134 CE LYS A 74 -18.196 -7.764 0.887 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.322 -7.227 1.699 1.00 0.00 N ATOM 0 HA LYS A 74 -14.913 -4.393 0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.734 -5.319 -0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.754 -5.520 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -16.077 -7.458 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.058 -6.472 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.270 -7.872 1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.040 -6.302 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.387 -7.574 -0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.142 -8.846 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.211 -7.676 1.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.153 -7.431 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.390 -6.198 1.561 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.414 -1.995 -1.164 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.309 -1.015 -2.227 1.00 0.00 C ATOM 1151 C ARG A 75 -13.889 -0.955 -2.773 1.00 0.00 C ATOM 1152 O ARG A 75 -13.675 -0.998 -3.982 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.697 0.370 -1.720 1.00 0.00 C ATOM 1154 CG ARG A 75 -17.163 0.695 -1.921 1.00 0.00 C ATOM 1155 CD ARG A 75 -17.538 2.016 -1.270 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.080 3.161 -2.053 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.583 4.385 -1.931 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.555 4.620 -1.061 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -17.114 5.374 -2.678 1.00 0.00 N ATOM 0 H ARG A 75 -15.082 -1.672 -0.255 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.990 -1.320 -3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.459 0.440 -0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.093 1.119 -2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.384 0.739 -2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.774 -0.104 -1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -18.620 2.067 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.105 2.064 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.333 3.013 -2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.918 3.861 -0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.940 5.560 -0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.366 5.196 -3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.501 6.313 -2.583 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.923 -0.811 -1.871 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.527 -0.687 -2.269 1.00 0.00 C ATOM 1175 C TYR A 76 -10.815 -2.035 -2.330 1.00 0.00 C ATOM 1176 O TYR A 76 -11.118 -2.946 -1.566 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.808 0.243 -1.302 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.666 1.407 -0.890 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.877 1.639 -1.520 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -11.279 2.258 0.131 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.684 2.687 -1.149 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -12.080 3.319 0.511 1.00 0.00 C ATOM 1183 CZ TYR A 76 -13.284 3.529 -0.132 1.00 0.00 C ATOM 1184 OH TYR A 76 -14.089 4.581 0.244 1.00 0.00 O ATOM 0 H TYR A 76 -13.081 -0.778 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.505 -0.272 -3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.509 -0.317 -0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.895 0.614 -1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.193 0.984 -2.318 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.340 2.091 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.626 2.851 -1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.766 3.979 1.306 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.662 5.075 0.975 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.851 -2.137 -3.241 1.00 0.00 N ATOM 1195 CA TYR A 77 -9.062 -3.366 -3.414 1.00 0.00 C ATOM 1196 C TYR A 77 -7.846 -3.104 -4.300 1.00 0.00 C ATOM 1197 O TYR A 77 -7.697 -2.020 -4.851 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.910 -4.493 -4.017 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.273 -4.275 -5.465 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.109 -3.225 -5.827 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.788 -5.113 -6.472 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.454 -3.008 -7.144 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.135 -4.891 -7.797 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.964 -3.840 -8.124 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.308 -3.625 -9.439 1.00 0.00 O ATOM 0 H TYR A 77 -9.592 -1.382 -3.877 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.724 -3.680 -2.427 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.365 -5.433 -3.926 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.825 -4.598 -3.435 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.495 -2.567 -5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.139 -5.938 -6.218 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.106 -2.188 -7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.756 -5.541 -8.571 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.497 -3.474 -9.969 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.980 -4.103 -4.441 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.787 -3.959 -5.272 1.00 0.00 C ATOM 1217 C VAL A 78 -5.454 -5.254 -5.983 1.00 0.00 C ATOM 1218 O VAL A 78 -4.402 -5.847 -5.745 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.556 -3.550 -4.453 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.747 -2.178 -3.829 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.260 -4.603 -3.398 1.00 0.00 C ATOM 0 H VAL A 78 -7.080 -5.015 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.021 -3.176 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.698 -3.484 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.860 -1.913 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.904 -1.439 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.615 -2.196 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.385 -4.304 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.117 -4.701 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.066 -5.560 -3.883 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.344 -5.694 -6.853 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.122 -6.925 -7.585 1.00 0.00 C ATOM 1233 C ALA A 79 -7.432 -7.667 -7.813 1.00 0.00 C ATOM 1234 O ALA A 79 -7.490 -8.885 -7.650 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.148 -7.813 -6.819 1.00 0.00 C ATOM 0 H ALA A 79 -7.221 -5.221 -7.068 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.697 -6.675 -8.557 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.985 -8.737 -7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.199 -7.291 -6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.563 -8.047 -5.839 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.492 -6.937 -8.168 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.788 -7.576 -8.372 1.00 0.00 C ATOM 1243 C GLU A 80 -9.821 -8.799 -7.485 1.00 0.00 C ATOM 1244 O GLU A 80 -10.301 -9.867 -7.866 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.979 -7.969 -9.838 1.00 0.00 C ATOM 1246 CG GLU A 80 -10.504 -6.838 -10.707 1.00 0.00 C ATOM 1247 CD GLU A 80 -11.741 -7.232 -11.492 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -11.889 -8.432 -11.803 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -12.561 -6.339 -11.794 1.00 0.00 O ATOM 0 H GLU A 80 -8.479 -5.928 -8.317 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.597 -6.890 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.026 -8.313 -10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.671 -8.810 -9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.736 -5.979 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.723 -6.524 -11.400 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.219 -8.629 -6.317 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.065 -9.696 -5.361 1.00 0.00 C ATOM 1258 C LYS A 81 -9.864 -9.485 -4.073 1.00 0.00 C ATOM 1259 O LYS A 81 -10.765 -10.263 -3.764 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.573 -9.819 -5.084 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.958 -8.651 -4.326 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.490 -8.897 -4.043 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.857 -7.695 -3.386 1.00 0.00 C ATOM 1264 NZ LYS A 81 -5.854 -6.916 -2.600 1.00 0.00 N ATOM 0 H LYS A 81 -8.824 -7.739 -6.012 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.471 -10.618 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.399 -10.733 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.051 -9.930 -6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.071 -7.736 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.492 -8.501 -3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.382 -9.768 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.970 -9.123 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.049 -8.020 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.412 -7.055 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.364 -6.189 -2.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.527 -6.459 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.369 -7.555 -1.962 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.535 -8.439 -3.321 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.232 -8.154 -2.074 1.00 0.00 C ATOM 1280 C TYR A 82 -10.583 -6.679 -1.995 1.00 0.00 C ATOM 1281 O TYR A 82 -9.705 -5.820 -2.062 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.394 -8.520 -0.834 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.414 -9.671 -0.988 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.945 -10.084 -2.227 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -7.941 -10.333 0.138 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.037 -11.119 -2.342 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.032 -11.367 0.032 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.584 -11.755 -1.210 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.678 -12.785 -1.321 1.00 0.00 O ATOM 0 H TYR A 82 -8.793 -7.778 -3.553 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.133 -8.767 -2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.835 -7.636 -0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.078 -8.762 -0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.297 -9.587 -3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.291 -10.033 1.115 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.685 -11.427 -3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.675 -11.869 0.919 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.118 -12.644 -2.113 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.863 -6.388 -1.837 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.310 -5.011 -1.737 1.00 0.00 C ATOM 1301 C VAL A 83 -12.737 -4.689 -0.315 1.00 0.00 C ATOM 1302 O VAL A 83 -13.373 -5.504 0.353 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.471 -4.722 -2.696 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.003 -4.841 -4.138 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.629 -5.663 -2.413 1.00 0.00 C ATOM 0 H VAL A 83 -12.607 -7.083 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.467 -4.378 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.819 -3.701 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.836 -4.634 -4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.202 -4.124 -4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.634 -5.851 -4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.448 -5.449 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.302 -6.694 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.970 -5.523 -1.387 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.377 -3.500 0.150 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.719 -3.084 1.498 1.00 0.00 C ATOM 1317 C PHE A 84 -13.344 -1.694 1.504 1.00 0.00 C ATOM 1318 O PHE A 84 -13.694 -1.150 0.455 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.472 -3.093 2.386 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.748 -4.409 2.401 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.854 -4.740 1.391 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.962 -5.315 3.425 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.185 -5.952 1.406 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.300 -6.529 3.445 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.411 -6.847 2.435 1.00 0.00 C ATOM 0 H PHE A 84 -11.850 -2.811 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.449 -3.791 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.788 -2.316 2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.761 -2.836 3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.679 -4.044 0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.654 -5.071 4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.489 -6.197 0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.477 -7.228 4.249 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.893 -7.795 2.450 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.479 -1.128 2.698 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.060 0.198 2.860 1.00 0.00 C ATOM 1337 C ASP A 85 -12.975 1.263 2.934 1.00 0.00 C ATOM 1338 O ASP A 85 -13.269 2.458 2.965 1.00 0.00 O ATOM 1339 CB ASP A 85 -14.916 0.252 4.127 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.053 1.249 4.015 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.482 1.535 2.877 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -16.514 1.743 5.065 1.00 0.00 O ATOM 0 H ASP A 85 -13.192 -1.570 3.571 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.687 0.397 1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.324 -0.738 4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.286 0.517 4.976 1.00 0.00 H new ATOM 1347 N SER A 86 -11.720 0.828 2.969 1.00 0.00 N ATOM 1348 CA SER A 86 -10.605 1.762 3.049 1.00 0.00 C ATOM 1349 C SER A 86 -9.256 1.052 2.957 1.00 0.00 C ATOM 1350 O SER A 86 -9.135 -0.155 3.226 1.00 0.00 O ATOM 1351 CB SER A 86 -10.681 2.562 4.349 1.00 0.00 C ATOM 1352 OG SER A 86 -10.797 3.950 4.089 1.00 0.00 O ATOM 0 H SER A 86 -11.452 -0.156 2.943 1.00 0.00 H new ATOM 0 HA SER A 86 -10.684 2.437 2.197 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.536 2.226 4.936 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.790 2.374 4.947 1.00 0.00 H new ATOM 0 HG SER A 86 -10.846 4.439 4.937 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.238 1.819 2.583 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.894 1.287 2.462 1.00 0.00 C ATOM 1360 C ILE A 87 -6.471 0.597 3.751 1.00 0.00 C ATOM 1361 O ILE A 87 -5.928 -0.501 3.720 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.865 2.385 2.143 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.102 2.993 0.759 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.457 1.817 2.235 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.369 2.525 0.086 1.00 0.00 C ATOM 0 H ILE A 87 -8.322 2.811 2.359 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.917 0.573 1.639 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.983 3.181 2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.133 4.079 0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.254 2.752 0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.733 2.600 2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.281 1.442 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.346 1.002 1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.461 3.003 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.335 1.443 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.228 2.790 0.703 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.714 1.229 4.914 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.339 0.650 6.202 1.00 0.00 C ATOM 1379 C PRO A 88 -6.871 -0.764 6.349 1.00 0.00 C ATOM 1380 O PRO A 88 -6.120 -1.680 6.678 1.00 0.00 O ATOM 1381 CB PRO A 88 -6.974 1.585 7.238 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.890 2.484 6.470 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.356 2.539 5.067 1.00 0.00 C ATOM 0 HA PRO A 88 -5.258 0.571 6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.523 1.019 7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.212 2.160 7.764 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.910 2.100 6.482 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.919 3.479 6.914 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.151 2.688 4.337 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.646 3.356 4.936 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.152 -0.961 6.054 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.718 -2.297 6.108 1.00 0.00 C ATOM 1393 C LEU A 89 -8.099 -3.091 4.978 1.00 0.00 C ATOM 1394 O LEU A 89 -7.580 -4.196 5.173 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.241 -2.280 5.966 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.921 -0.955 6.301 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -10.834 -0.006 5.119 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.373 -1.196 6.686 1.00 0.00 C ATOM 0 H LEU A 89 -8.804 -0.226 5.781 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.500 -2.746 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.495 -2.549 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.657 -3.054 6.611 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.408 -0.499 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.323 0.935 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.787 0.182 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.329 -0.452 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.849 -0.245 6.923 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.897 -1.667 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.415 -1.850 7.557 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.115 -2.485 3.790 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.516 -3.102 2.623 1.00 0.00 C ATOM 1412 C LEU A 90 -6.074 -3.475 2.950 1.00 0.00 C ATOM 1413 O LEU A 90 -5.583 -4.533 2.556 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.566 -2.136 1.439 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.372 -2.778 0.067 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.435 -2.285 -0.901 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.980 -2.481 -0.466 1.00 0.00 C ATOM 0 H LEU A 90 -8.536 -1.572 3.619 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.069 -4.001 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.528 -1.623 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.798 -1.376 1.578 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.475 -3.858 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.284 -2.751 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.423 -2.548 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.361 -1.202 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.858 -2.946 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.848 -1.403 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.234 -2.881 0.221 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.420 -2.599 3.709 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.046 -2.815 4.143 1.00 0.00 C ATOM 1431 C ILE A 91 -4.031 -3.775 5.318 1.00 0.00 C ATOM 1432 O ILE A 91 -3.224 -4.703 5.372 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.369 -1.497 4.574 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.414 -0.477 3.441 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -1.928 -1.754 4.995 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.800 -0.988 2.165 1.00 0.00 C ATOM 0 H ILE A 91 -5.827 -1.724 4.038 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.494 -3.228 3.299 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.915 -1.092 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.450 -0.197 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.891 0.427 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.464 -0.815 5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.913 -2.451 5.833 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.375 -2.180 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.862 -0.217 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.755 -1.242 2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.338 -1.876 1.832 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.944 -3.544 6.254 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.058 -4.386 7.430 1.00 0.00 C ATOM 1450 C GLN A 92 -5.297 -5.826 7.012 1.00 0.00 C ATOM 1451 O GLN A 92 -4.817 -6.756 7.659 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.190 -3.896 8.333 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.810 -2.690 9.178 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.330 -2.658 9.516 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.948 -2.743 10.683 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.489 -2.534 8.494 1.00 0.00 N ATOM 0 H GLN A 92 -5.616 -2.778 6.218 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.126 -4.332 7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.052 -3.641 7.717 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.498 -4.709 8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.077 -1.778 8.644 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.390 -2.700 10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.849 -2.467 7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.483 -2.506 8.662 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.022 -6.009 5.910 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.284 -7.343 5.410 1.00 0.00 C ATOM 1467 C TYR A 93 -4.988 -7.944 4.882 1.00 0.00 C ATOM 1468 O TYR A 93 -4.684 -9.108 5.143 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.348 -7.310 4.319 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.853 -7.803 2.985 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.404 -9.106 2.824 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.838 -6.962 1.884 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -5.953 -9.557 1.599 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.390 -7.404 0.658 1.00 0.00 C ATOM 1475 CZ TYR A 93 -5.949 -8.703 0.519 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.501 -9.147 -0.704 1.00 0.00 O ATOM 0 H TYR A 93 -6.431 -5.256 5.357 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.662 -7.964 6.222 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.196 -7.919 4.631 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.712 -6.289 4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.407 -9.778 3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.183 -5.944 1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.605 -10.574 1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.384 -6.736 -0.190 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.193 -9.698 -1.125 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.206 -7.135 4.164 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.928 -7.597 3.644 1.00 0.00 C ATOM 1488 C HIS A 94 -1.918 -7.681 4.777 1.00 0.00 C ATOM 1489 O HIS A 94 -1.166 -8.648 4.893 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.386 -6.648 2.580 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.265 -6.475 1.388 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.463 -7.464 0.453 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -3.978 -5.407 0.963 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.257 -7.012 -0.497 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.585 -5.766 -0.212 1.00 0.00 N ATOM 0 H HIS A 94 -4.436 -6.168 3.934 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.085 -8.578 3.195 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.219 -5.672 3.035 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.415 -7.015 2.247 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.059 -8.400 0.489 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.055 -4.450 1.457 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.584 -7.568 -1.363 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.915 -6.645 5.612 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.004 -6.572 6.743 1.00 0.00 C ATOM 1506 C GLN A 95 -1.027 -7.878 7.530 1.00 0.00 C ATOM 1507 O GLN A 95 -0.002 -8.328 8.043 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.399 -5.412 7.660 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.724 -4.097 7.308 1.00 0.00 C ATOM 1510 CD GLN A 95 0.681 -4.003 7.862 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.904 -3.433 8.930 1.00 0.00 O ATOM 1512 NE2 GLN A 95 1.640 -4.562 7.135 1.00 0.00 N ATOM 0 H GLN A 95 -2.538 -5.842 5.523 1.00 0.00 H new ATOM 0 HA GLN A 95 0.005 -6.405 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.480 -5.278 7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.151 -5.673 8.689 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.692 -3.987 6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.320 -3.271 7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.409 -5.024 6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.608 -4.530 7.456 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.210 -8.477 7.622 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.384 -9.730 8.345 1.00 0.00 C ATOM 1523 C TYR A 96 -2.535 -10.902 7.381 1.00 0.00 C ATOM 1524 O TYR A 96 -1.575 -11.309 6.728 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.611 -9.643 9.255 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.355 -8.899 10.545 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -3.010 -7.554 10.532 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.459 -9.540 11.772 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.775 -6.868 11.707 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.226 -8.860 12.953 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.885 -7.525 12.915 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.651 -6.844 14.088 1.00 0.00 O ATOM 0 H TYR A 96 -3.065 -8.112 7.203 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.495 -9.899 8.952 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.419 -9.150 8.715 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.952 -10.652 9.488 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.924 -7.036 9.588 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.726 -10.586 11.805 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.506 -5.822 11.680 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.311 -9.372 13.900 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.771 -7.451 14.848 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.750 -11.439 7.299 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.038 -12.566 6.419 1.00 0.00 C ATOM 1544 C ASN A 97 -2.889 -12.817 5.447 1.00 0.00 C ATOM 1545 O ASN A 97 -1.810 -13.256 5.845 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.331 -12.314 5.641 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.555 -12.317 6.536 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -7.122 -13.370 6.828 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.967 -11.135 6.979 1.00 0.00 N ATOM 0 H ASN A 97 -4.553 -11.109 7.834 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.159 -13.453 7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.262 -11.355 5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.444 -13.079 4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.784 -11.075 7.587 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.467 -10.287 6.712 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.129 -12.538 4.170 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.106 -12.741 3.161 1.00 0.00 C ATOM 1558 C GLY A 98 -2.601 -12.429 1.762 1.00 0.00 C ATOM 1559 O GLY A 98 -2.606 -13.297 0.889 1.00 0.00 O ATOM 0 H GLY A 98 -4.014 -12.175 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.246 -12.111 3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.762 -13.775 3.199 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.018 -11.185 1.548 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.512 -10.781 0.245 1.00 0.00 C ATOM 1565 C GLY A 99 -2.396 -10.587 -0.763 1.00 0.00 C ATOM 1566 O GLY A 99 -1.659 -9.604 -0.697 1.00 0.00 O ATOM 0 H GLY A 99 -3.022 -10.449 2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.206 -11.535 -0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.073 -9.852 0.345 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.272 -11.526 -1.698 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.234 -11.432 -2.709 1.00 0.00 C ATOM 1572 C GLY A 100 -0.199 -10.377 -2.374 1.00 0.00 C ATOM 1573 O GLY A 100 0.406 -10.411 -1.302 1.00 0.00 O ATOM 0 H GLY A 100 -2.871 -12.348 -1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.743 -12.399 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.688 -11.199 -3.672 1.00 0.00 H new ATOM 1577 N LEU A 101 0.002 -9.432 -3.286 1.00 0.00 N ATOM 1578 CA LEU A 101 0.967 -8.362 -3.069 1.00 0.00 C ATOM 1579 C LEU A 101 2.344 -8.935 -2.726 1.00 0.00 C ATOM 1580 O LEU A 101 2.444 -9.975 -2.077 1.00 0.00 O ATOM 1581 CB LEU A 101 0.472 -7.446 -1.946 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.595 -6.431 -2.361 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.894 -7.139 -2.722 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.826 -5.422 -1.244 1.00 0.00 C ATOM 0 H LEU A 101 -0.489 -9.386 -4.179 1.00 0.00 H new ATOM 0 HA LEU A 101 1.064 -7.782 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.070 -8.065 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.325 -6.906 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.242 -5.896 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.641 -6.401 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.717 -7.824 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.255 -7.699 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.587 -4.706 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.160 -5.943 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.104 -4.894 -1.032 1.00 0.00 H new ATOM 1596 N VAL A 102 3.402 -8.258 -3.175 1.00 0.00 N ATOM 1597 CA VAL A 102 4.765 -8.719 -2.917 1.00 0.00 C ATOM 1598 C VAL A 102 4.828 -9.577 -1.660 1.00 0.00 C ATOM 1599 O VAL A 102 5.584 -10.545 -1.594 1.00 0.00 O ATOM 1600 CB VAL A 102 5.758 -7.546 -2.767 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.751 -6.669 -4.010 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.446 -6.730 -1.520 1.00 0.00 C ATOM 0 H VAL A 102 3.342 -7.395 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 102 5.053 -9.314 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 102 6.760 -7.961 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.458 -5.850 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.039 -7.264 -4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.751 -6.264 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.158 -5.909 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.435 -6.328 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.521 -7.368 -0.639 1.00 0.00 H new ATOM 1612 N THR A 103 4.028 -9.215 -0.665 1.00 0.00 N ATOM 1613 CA THR A 103 3.993 -9.951 0.592 1.00 0.00 C ATOM 1614 C THR A 103 2.806 -9.507 1.439 1.00 0.00 C ATOM 1615 O THR A 103 2.916 -9.364 2.656 1.00 0.00 O ATOM 1616 CB THR A 103 5.297 -9.747 1.364 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.045 -9.607 2.751 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.074 -8.528 0.915 1.00 0.00 C ATOM 0 H THR A 103 3.395 -8.416 -0.704 1.00 0.00 H new ATOM 0 HA THR A 103 3.881 -11.012 0.366 1.00 0.00 H new ATOM 0 HB THR A 103 5.894 -10.636 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.081 -9.673 2.917 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.988 -8.442 1.503 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.329 -8.628 -0.140 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.465 -7.635 1.058 1.00 0.00 H new ATOM 1626 N ARG A 104 1.673 -9.288 0.783 1.00 0.00 N ATOM 1627 CA ARG A 104 0.463 -8.857 1.471 1.00 0.00 C ATOM 1628 C ARG A 104 0.802 -7.912 2.618 1.00 0.00 C ATOM 1629 O ARG A 104 0.598 -8.240 3.786 1.00 0.00 O ATOM 1630 CB ARG A 104 -0.308 -10.067 2.002 1.00 0.00 C ATOM 1631 CG ARG A 104 0.539 -11.010 2.841 1.00 0.00 C ATOM 1632 CD ARG A 104 0.249 -10.848 4.325 1.00 0.00 C ATOM 1633 NE ARG A 104 0.425 -12.099 5.057 1.00 0.00 N ATOM 1634 CZ ARG A 104 0.788 -12.161 6.333 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.013 -11.045 7.015 1.00 0.00 N ATOM 1636 NH2 ARG A 104 0.926 -13.336 6.929 1.00 0.00 N ATOM 0 H ARG A 104 1.567 -9.402 -0.225 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.163 -8.324 0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.148 -9.717 2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.725 -10.619 1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.344 -12.040 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.595 -10.817 2.652 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.909 -10.088 4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.772 -10.491 4.458 1.00 0.00 H new ATOM 0 HE ARG A 104 0.260 -12.975 4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.907 -10.139 6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.292 -11.094 7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.753 -14.196 6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.205 -13.381 7.909 1.00 0.00 H new ATOM 1650 N LEU A 105 1.321 -6.737 2.279 1.00 0.00 N ATOM 1651 CA LEU A 105 1.682 -5.748 3.285 1.00 0.00 C ATOM 1652 C LEU A 105 2.589 -6.367 4.340 1.00 0.00 C ATOM 1653 O LEU A 105 2.146 -6.706 5.437 1.00 0.00 O ATOM 1654 CB LEU A 105 0.423 -5.175 3.933 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.483 -4.405 2.982 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.076 -3.024 2.788 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.606 -5.114 1.642 1.00 0.00 C ATOM 0 H LEU A 105 1.500 -6.448 1.317 1.00 0.00 H new ATOM 0 HA LEU A 105 2.225 -4.938 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.147 -5.992 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.718 -4.514 4.748 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.481 -4.346 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.566 -2.464 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.121 -2.512 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.079 -3.093 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.259 -4.540 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.380 -5.203 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.027 -6.108 1.794 1.00 0.00 H new ATOM 1669 N ARG A 106 3.861 -6.520 3.990 1.00 0.00 N ATOM 1670 CA ARG A 106 4.838 -7.111 4.896 1.00 0.00 C ATOM 1671 C ARG A 106 5.215 -6.149 6.019 1.00 0.00 C ATOM 1672 O ARG A 106 5.402 -6.566 7.162 1.00 0.00 O ATOM 1673 CB ARG A 106 6.091 -7.526 4.124 1.00 0.00 C ATOM 1674 CG ARG A 106 6.581 -8.925 4.465 1.00 0.00 C ATOM 1675 CD ARG A 106 7.405 -8.930 5.742 1.00 0.00 C ATOM 1676 NE ARG A 106 7.114 -10.093 6.577 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.172 -11.346 6.138 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.507 -11.596 4.879 1.00 0.00 N ATOM 1679 NH2 ARG A 106 6.893 -12.351 6.957 1.00 0.00 N ATOM 0 H ARG A 106 4.240 -6.243 3.084 1.00 0.00 H new ATOM 0 HA ARG A 106 4.381 -7.992 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.883 -7.473 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.888 -6.811 4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.727 -9.593 4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.181 -9.312 3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.465 -8.921 5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.204 -8.019 6.306 1.00 0.00 H new ATOM 0 HE ARG A 106 6.852 -9.935 7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.721 -10.826 4.246 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.551 -12.559 4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.633 -12.163 7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.938 -13.312 6.619 1.00 0.00 H new ATOM 1693 N TYR A 107 5.332 -4.865 5.694 1.00 0.00 N ATOM 1694 CA TYR A 107 5.696 -3.868 6.694 1.00 0.00 C ATOM 1695 C TYR A 107 5.468 -2.446 6.192 1.00 0.00 C ATOM 1696 O TYR A 107 6.306 -1.885 5.486 1.00 0.00 O ATOM 1697 CB TYR A 107 7.161 -4.031 7.095 1.00 0.00 C ATOM 1698 CG TYR A 107 7.620 -3.000 8.101 1.00 0.00 C ATOM 1699 CD1 TYR A 107 7.031 -2.925 9.355 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.636 -2.100 7.796 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.438 -1.985 10.280 1.00 0.00 C ATOM 1702 CE2 TYR A 107 9.050 -1.158 8.717 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.449 -1.104 9.957 1.00 0.00 C ATOM 1704 OH TYR A 107 8.858 -0.165 10.877 1.00 0.00 O ATOM 0 H TYR A 107 5.182 -4.494 4.756 1.00 0.00 H new ATOM 0 HA TYR A 107 5.053 -4.031 7.559 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.308 -5.027 7.512 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.785 -3.963 6.204 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.240 -3.614 9.612 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.108 -2.139 6.825 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.968 -1.940 11.251 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.841 -0.467 8.467 1.00 0.00 H new ATOM 0 HH TYR A 107 9.579 0.377 10.493 1.00 0.00 H new ATOM 1714 N PRO A 108 4.333 -1.836 6.564 1.00 0.00 N ATOM 1715 CA PRO A 108 4.004 -0.470 6.168 1.00 0.00 C ATOM 1716 C PRO A 108 5.149 0.500 6.445 1.00 0.00 C ATOM 1717 O PRO A 108 5.497 0.749 7.599 1.00 0.00 O ATOM 1718 CB PRO A 108 2.790 -0.117 7.043 1.00 0.00 C ATOM 1719 CG PRO A 108 2.696 -1.206 8.058 1.00 0.00 C ATOM 1720 CD PRO A 108 3.281 -2.417 7.403 1.00 0.00 C ATOM 0 HA PRO A 108 3.809 -0.396 5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.921 0.854 7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.880 -0.058 6.446 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.244 -0.946 8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.661 -1.380 8.351 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.683 -3.120 8.132 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.542 -2.958 6.813 1.00 0.00 H new ATOM 1728 N VAL A 109 5.721 1.054 5.383 1.00 0.00 N ATOM 1729 CA VAL A 109 6.811 2.005 5.512 1.00 0.00 C ATOM 1730 C VAL A 109 6.254 3.411 5.639 1.00 0.00 C ATOM 1731 O VAL A 109 5.321 3.781 4.929 1.00 0.00 O ATOM 1732 CB VAL A 109 7.754 1.949 4.298 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.793 0.850 4.474 1.00 0.00 C ATOM 1734 CG2 VAL A 109 6.957 1.748 3.018 1.00 0.00 C ATOM 0 H VAL A 109 5.445 0.858 4.421 1.00 0.00 H new ATOM 0 HA VAL A 109 7.378 1.741 6.405 1.00 0.00 H new ATOM 0 HB VAL A 109 8.283 2.899 4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.450 0.828 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.383 1.047 5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.291 -0.112 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.638 1.710 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.401 0.813 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.261 2.577 2.889 1.00 0.00 H new ATOM 1744 N CYS A 110 6.820 4.192 6.545 1.00 0.00 N ATOM 1745 CA CYS A 110 6.363 5.552 6.751 1.00 0.00 C ATOM 1746 C CYS A 110 7.523 6.532 6.637 1.00 0.00 C ATOM 1747 O CYS A 110 8.159 6.887 7.629 1.00 0.00 O ATOM 1748 CB CYS A 110 5.682 5.677 8.116 1.00 0.00 C ATOM 1749 SG CYS A 110 6.822 5.907 9.500 1.00 0.00 S ATOM 0 H CYS A 110 7.593 3.907 7.146 1.00 0.00 H new ATOM 0 HA CYS A 110 5.637 5.797 5.976 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.990 6.518 8.088 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.088 4.781 8.296 1.00 0.00 H new ATOM 0 HG CYS A 110 7.812 6.662 9.126 1.00 0.00 H new ATOM 1755 N GLY A 111 7.790 6.961 5.410 1.00 0.00 N ATOM 1756 CA GLY A 111 8.873 7.897 5.169 1.00 0.00 C ATOM 1757 C GLY A 111 8.481 9.004 4.210 1.00 0.00 C ATOM 1758 O GLY A 111 9.259 9.378 3.332 1.00 0.00 O ATOM 0 H GLY A 111 7.276 6.678 4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.187 8.336 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.731 7.359 4.766 1.00 0.00 H new