USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 677 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 88 SER OG : rot 180:sc= 0.0795 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.0464 K(o=0.033,f=-0.96) USER MOD Set 2.1: A 84 HIS : no HD1:sc= -0.114 K(o=0.015,f=-2.5) USER MOD Set 2.2: A 86 THR OG1 : rot -91:sc= 0.129 USER MOD Set 3.1: A 52 SER OG : rot 17:sc= 0.504 USER MOD Set 3.2: A 67 TYR OH : rot -136:sc= 1.21 USER MOD Single : A 4 THR OG1 : rot 25:sc= 0.724 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0219 F(o=-1.1,f=-0.022) USER MOD Single : A 10 TYR OH : rot -119:sc= 0.191 USER MOD Single : A 11 SER OG : rot -113:sc= 0.135 USER MOD Single : A 13 HIS : no HD1:sc= -0.0772 X(o=-0.077,f=0) USER MOD Single : A 17 ASN : amide:sc= -3.86! C(o=-3.9!,f=-6.8!) USER MOD Single : A 19 LYS NZ :NH3+ -106:sc= -4.04! (180deg=-7.48!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.811 X(o=-0.81,f=-0.54) USER MOD Single : A 24 ASN : amide:sc= -2.05! C(o=-2.1!,f=-3.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc=-0.00915 USER MOD Single : A 31 HIS : no HD1:sc= 0.947 K(o=0.95,f=-4.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -0.0275 (180deg=-0.183) USER MOD Single : A 51 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.00086) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 31:sc= 1.3 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -17:sc= 0.405 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 73:sc= 1.02 USER MOD Single : A 83 ASN : amide:sc= 0.498 K(o=0.5,f=-11!) USER MOD Single : A 91 LYS NZ :NH3+ 132:sc= -0.146 (180deg=-0.711) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0498) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.168 -5.022 -4.147 1.00 0.00 N ATOM 37 CA ARG A 3 -16.295 -4.585 -5.221 1.00 0.00 C ATOM 38 C ARG A 3 -14.850 -4.875 -4.840 1.00 0.00 C ATOM 39 O ARG A 3 -14.469 -4.690 -3.683 1.00 0.00 O ATOM 40 CB ARG A 3 -16.510 -3.091 -5.482 1.00 0.00 C ATOM 41 CG ARG A 3 -15.545 -2.475 -6.496 1.00 0.00 C ATOM 42 CD ARG A 3 -16.109 -1.194 -7.104 1.00 0.00 C ATOM 43 NE ARG A 3 -16.558 -0.248 -6.082 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.192 1.032 -6.041 1.00 0.00 C ATOM 45 NH1 ARG A 3 -15.379 1.523 -6.970 1.00 0.00 N ATOM 46 NH2 ARG A 3 -16.637 1.818 -5.071 1.00 0.00 N ATOM 0 HA ARG A 3 -16.527 -5.126 -6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.531 -2.941 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.416 -2.554 -4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.594 -2.259 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.341 -3.195 -7.288 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.347 -0.722 -7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.944 -1.442 -7.759 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.189 -0.589 -5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.034 0.919 -7.716 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.100 2.504 -6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.260 1.443 -4.356 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.357 2.798 -5.040 1.00 0.00 H new ATOM 60 N THR A 4 -14.059 -5.350 -5.795 1.00 0.00 N ATOM 61 CA THR A 4 -12.700 -5.772 -5.501 1.00 0.00 C ATOM 62 C THR A 4 -11.783 -4.568 -5.287 1.00 0.00 C ATOM 63 O THR A 4 -11.617 -3.746 -6.189 1.00 0.00 O ATOM 64 CB THR A 4 -12.118 -6.669 -6.625 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.857 -5.887 -7.797 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.075 -7.791 -6.989 1.00 0.00 C ATOM 0 H THR A 4 -14.335 -5.451 -6.772 1.00 0.00 H new ATOM 0 HA THR A 4 -12.747 -6.356 -4.582 1.00 0.00 H new ATOM 0 HB THR A 4 -11.191 -7.103 -6.250 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.710 -4.953 -7.541 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.637 -8.401 -7.779 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.259 -8.411 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.017 -7.367 -7.338 1.00 0.00 H new ATOM 74 N PRO A 5 -11.184 -4.440 -4.091 1.00 0.00 N ATOM 75 CA PRO A 5 -10.216 -3.389 -3.820 1.00 0.00 C ATOM 76 C PRO A 5 -8.919 -3.655 -4.574 1.00 0.00 C ATOM 77 O PRO A 5 -8.347 -4.745 -4.475 1.00 0.00 O ATOM 78 CB PRO A 5 -9.977 -3.460 -2.305 1.00 0.00 C ATOM 79 CG PRO A 5 -10.953 -4.461 -1.768 1.00 0.00 C ATOM 80 CD PRO A 5 -11.387 -5.310 -2.930 1.00 0.00 C ATOM 0 HA PRO A 5 -10.571 -2.408 -4.138 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.952 -3.762 -2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.127 -2.485 -1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.492 -5.073 -0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.808 -3.962 -1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.793 -6.221 -3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.429 -5.615 -2.836 1.00 0.00 H new ATOM 88 N LYS A 6 -8.461 -2.680 -5.334 1.00 0.00 N ATOM 89 CA LYS A 6 -7.287 -2.873 -6.164 1.00 0.00 C ATOM 90 C LYS A 6 -6.061 -2.233 -5.524 1.00 0.00 C ATOM 91 O LYS A 6 -6.162 -1.230 -4.815 1.00 0.00 O ATOM 92 CB LYS A 6 -7.540 -2.316 -7.570 1.00 0.00 C ATOM 93 CG LYS A 6 -6.355 -2.457 -8.519 1.00 0.00 C ATOM 94 CD LYS A 6 -6.756 -2.183 -9.959 1.00 0.00 C ATOM 95 CE LYS A 6 -7.691 -3.262 -10.483 1.00 0.00 C ATOM 96 NZ LYS A 6 -8.079 -3.034 -11.900 1.00 0.00 N ATOM 0 H LYS A 6 -8.880 -1.752 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.089 -3.941 -6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.400 -2.827 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.803 -1.261 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.566 -1.766 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.943 -3.463 -8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.245 -1.211 -10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.865 -2.135 -10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.206 -4.234 -10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.588 -3.294 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.716 -3.794 -12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.565 -2.119 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.227 -3.029 -12.497 1.00 0.00 H new ATOM 110 N ILE A 7 -4.906 -2.832 -5.781 1.00 0.00 N ATOM 111 CA ILE A 7 -3.662 -2.439 -5.133 1.00 0.00 C ATOM 112 C ILE A 7 -2.869 -1.506 -6.036 1.00 0.00 C ATOM 113 O ILE A 7 -2.489 -1.880 -7.147 1.00 0.00 O ATOM 114 CB ILE A 7 -2.753 -3.664 -4.799 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.326 -4.563 -3.695 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.373 -3.188 -4.371 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.763 -4.977 -3.880 1.00 0.00 C ATOM 0 H ILE A 7 -4.805 -3.602 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.943 -1.942 -4.204 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.697 -4.257 -5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.713 -5.461 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.235 -4.042 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.746 -4.049 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.919 -2.615 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.464 -2.558 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.070 -5.609 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.396 -4.090 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.865 -5.532 -4.813 1.00 0.00 H new ATOM 129 N GLN A 8 -2.632 -0.295 -5.570 1.00 0.00 N ATOM 130 CA GLN A 8 -1.704 0.596 -6.237 1.00 0.00 C ATOM 131 C GLN A 8 -0.615 1.013 -5.255 1.00 0.00 C ATOM 132 O GLN A 8 -0.896 1.624 -4.226 1.00 0.00 O ATOM 133 CB GLN A 8 -2.434 1.818 -6.796 1.00 0.00 C ATOM 134 CG GLN A 8 -3.385 1.485 -7.935 1.00 0.00 C ATOM 135 CD GLN A 8 -4.031 2.714 -8.547 1.00 0.00 C ATOM 136 OE1 GLN A 8 -3.313 3.827 -8.551 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -5.162 2.659 -9.032 1.00 0.00 N flip ATOM 0 H GLN A 8 -3.068 0.093 -4.734 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.245 0.075 -7.077 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.995 2.296 -5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.699 2.542 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.841 0.944 -8.709 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.164 0.817 -7.567 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.684 1.783 -9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.576 3.489 -9.456 1.00 0.00 H new ATOM 146 N VAL A 9 0.621 0.663 -5.568 1.00 0.00 N ATOM 147 CA VAL A 9 1.745 0.960 -4.691 1.00 0.00 C ATOM 148 C VAL A 9 2.853 1.654 -5.468 1.00 0.00 C ATOM 149 O VAL A 9 3.257 1.197 -6.536 1.00 0.00 O ATOM 150 CB VAL A 9 2.287 -0.322 -3.987 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.368 -1.495 -4.950 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.652 -0.071 -3.351 1.00 0.00 C ATOM 0 H VAL A 9 0.874 0.171 -6.425 1.00 0.00 H new ATOM 0 HA VAL A 9 1.386 1.631 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 9 1.579 -0.575 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.750 -2.371 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.375 -1.712 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.038 -1.245 -5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.002 -0.984 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.363 0.228 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.567 0.722 -2.608 1.00 0.00 H new ATOM 162 N TYR A 10 3.320 2.773 -4.938 1.00 0.00 N ATOM 163 CA TYR A 10 4.361 3.555 -5.581 1.00 0.00 C ATOM 164 C TYR A 10 5.092 4.404 -4.551 1.00 0.00 C ATOM 165 O TYR A 10 4.641 4.551 -3.418 1.00 0.00 O ATOM 166 CB TYR A 10 3.771 4.443 -6.693 1.00 0.00 C ATOM 167 CG TYR A 10 2.606 5.313 -6.257 1.00 0.00 C ATOM 168 CD1 TYR A 10 2.813 6.583 -5.727 1.00 0.00 C ATOM 169 CD2 TYR A 10 1.297 4.866 -6.387 1.00 0.00 C ATOM 170 CE1 TYR A 10 1.750 7.376 -5.337 1.00 0.00 C ATOM 171 CE2 TYR A 10 0.229 5.653 -6.000 1.00 0.00 C ATOM 172 CZ TYR A 10 0.460 6.906 -5.476 1.00 0.00 C ATOM 173 OH TYR A 10 -0.604 7.688 -5.084 1.00 0.00 O ATOM 0 H TYR A 10 2.990 3.162 -4.055 1.00 0.00 H new ATOM 0 HA TYR A 10 5.074 2.869 -6.039 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.560 5.085 -7.084 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.443 3.805 -7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.821 6.955 -5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.111 3.885 -6.798 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.928 8.359 -4.926 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.782 5.288 -6.108 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.099 7.233 -4.371 1.00 0.00 H new ATOM 183 N SER A 11 6.233 4.934 -4.943 1.00 0.00 N ATOM 184 CA SER A 11 7.023 5.795 -4.084 1.00 0.00 C ATOM 185 C SER A 11 6.462 7.215 -4.115 1.00 0.00 C ATOM 186 O SER A 11 6.146 7.732 -5.187 1.00 0.00 O ATOM 187 CB SER A 11 8.471 5.768 -4.594 1.00 0.00 C ATOM 188 OG SER A 11 8.503 5.339 -5.947 1.00 0.00 O ATOM 0 H SER A 11 6.639 4.780 -5.866 1.00 0.00 H new ATOM 0 HA SER A 11 6.989 5.447 -3.052 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.914 6.760 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.070 5.098 -3.977 1.00 0.00 H new ATOM 0 HG SER A 11 8.945 4.466 -6.003 1.00 0.00 H new ATOM 194 N ARG A 12 6.326 7.836 -2.937 1.00 0.00 N ATOM 195 CA ARG A 12 5.765 9.186 -2.859 1.00 0.00 C ATOM 196 C ARG A 12 6.706 10.173 -3.551 1.00 0.00 C ATOM 197 O ARG A 12 6.280 11.005 -4.351 1.00 0.00 O ATOM 198 CB ARG A 12 5.550 9.595 -1.392 1.00 0.00 C ATOM 199 CG ARG A 12 4.314 10.480 -1.129 1.00 0.00 C ATOM 200 CD ARG A 12 3.910 11.387 -2.304 1.00 0.00 C ATOM 201 NE ARG A 12 2.492 11.731 -2.242 1.00 0.00 N ATOM 202 CZ ARG A 12 1.698 11.852 -3.303 1.00 0.00 C ATOM 203 NH1 ARG A 12 2.169 11.637 -4.527 1.00 0.00 N ATOM 204 NH2 ARG A 12 0.427 12.191 -3.134 1.00 0.00 N ATOM 0 H ARG A 12 6.593 7.432 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 12 4.799 9.198 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.464 8.691 -0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.437 10.126 -1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.471 9.837 -0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.510 11.104 -0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.509 12.298 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.124 10.883 -3.246 1.00 0.00 H new ATOM 0 HE ARG A 12 2.082 11.889 -1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.146 11.377 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.553 11.732 -5.334 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.064 12.357 -2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.187 12.286 -3.943 1.00 0.00 H new ATOM 218 N HIS A 13 7.987 10.068 -3.229 1.00 0.00 N ATOM 219 CA HIS A 13 9.021 10.863 -3.878 1.00 0.00 C ATOM 220 C HIS A 13 9.970 9.931 -4.650 1.00 0.00 C ATOM 221 O HIS A 13 9.795 8.711 -4.578 1.00 0.00 O ATOM 222 CB HIS A 13 9.797 11.683 -2.833 1.00 0.00 C ATOM 223 CG HIS A 13 9.040 12.864 -2.289 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.452 13.510 -1.146 1.00 0.00 N ATOM 225 CD2 HIS A 13 7.917 13.471 -2.760 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.579 14.484 -0.944 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.635 14.497 -1.895 1.00 0.00 N ATOM 0 H HIS A 13 8.339 9.432 -2.513 1.00 0.00 H new ATOM 0 HA HIS A 13 8.558 11.558 -4.578 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.071 11.029 -2.005 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.726 12.036 -3.281 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.357 13.198 -3.642 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.622 15.179 -0.119 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.853 15.148 -1.963 1.00 0.00 H new ATOM 235 N PRO A 14 10.973 10.455 -5.403 1.00 0.00 N ATOM 236 CA PRO A 14 11.932 9.598 -6.125 1.00 0.00 C ATOM 237 C PRO A 14 12.708 8.671 -5.185 1.00 0.00 C ATOM 238 O PRO A 14 13.345 9.126 -4.233 1.00 0.00 O ATOM 239 CB PRO A 14 12.895 10.588 -6.802 1.00 0.00 C ATOM 240 CG PRO A 14 12.691 11.902 -6.094 1.00 0.00 C ATOM 241 CD PRO A 14 11.252 11.893 -5.633 1.00 0.00 C ATOM 0 HA PRO A 14 11.420 8.941 -6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.928 10.252 -6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.679 10.679 -7.867 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.373 12.003 -5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.884 12.742 -6.762 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.118 12.479 -4.724 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.586 12.316 -6.386 1.00 0.00 H new ATOM 249 N ALA A 15 12.657 7.374 -5.471 1.00 0.00 N ATOM 250 CA ALA A 15 13.317 6.370 -4.657 1.00 0.00 C ATOM 251 C ALA A 15 14.826 6.505 -4.754 1.00 0.00 C ATOM 252 O ALA A 15 15.388 6.438 -5.848 1.00 0.00 O ATOM 253 CB ALA A 15 12.903 4.981 -5.110 1.00 0.00 C ATOM 0 H ALA A 15 12.156 6.994 -6.274 1.00 0.00 H new ATOM 0 HA ALA A 15 13.017 6.521 -3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.403 4.233 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.823 4.872 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.185 4.839 -6.153 1.00 0.00 H new ATOM 259 N GLU A 16 15.480 6.697 -3.626 1.00 0.00 N ATOM 260 CA GLU A 16 16.932 6.779 -3.609 1.00 0.00 C ATOM 261 C GLU A 16 17.509 5.713 -2.678 1.00 0.00 C ATOM 262 O GLU A 16 17.155 5.635 -1.502 1.00 0.00 O ATOM 263 CB GLU A 16 17.369 8.195 -3.195 1.00 0.00 C ATOM 264 CG GLU A 16 18.689 8.674 -3.802 1.00 0.00 C ATOM 265 CD GLU A 16 19.924 8.165 -3.087 1.00 0.00 C ATOM 266 OE1 GLU A 16 20.471 7.125 -3.505 1.00 0.00 O ATOM 267 OE2 GLU A 16 20.375 8.828 -2.128 1.00 0.00 O ATOM 0 H GLU A 16 15.036 6.799 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 16 17.321 6.587 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.583 8.897 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.454 8.228 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.731 8.359 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.704 9.764 -3.797 1.00 0.00 H new ATOM 274 N ASN A 17 18.374 4.882 -3.234 1.00 0.00 N ATOM 275 CA ASN A 17 18.963 3.753 -2.508 1.00 0.00 C ATOM 276 C ASN A 17 20.104 4.215 -1.612 1.00 0.00 C ATOM 277 O ASN A 17 21.088 4.795 -2.073 1.00 0.00 O ATOM 278 CB ASN A 17 19.412 2.662 -3.501 1.00 0.00 C ATOM 279 CG ASN A 17 20.549 1.770 -3.007 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.680 1.476 -1.819 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.385 1.322 -3.934 1.00 0.00 N ATOM 0 H ASN A 17 18.692 4.965 -4.200 1.00 0.00 H new ATOM 0 HA ASN A 17 18.206 3.319 -1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.554 2.033 -3.740 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.723 3.142 -4.429 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.162 0.716 -3.670 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.251 1.583 -4.911 1.00 0.00 H new ATOM 288 N GLY A 18 19.963 3.923 -0.327 1.00 0.00 N ATOM 289 CA GLY A 18 20.867 4.443 0.673 1.00 0.00 C ATOM 290 C GLY A 18 20.364 5.766 1.196 1.00 0.00 C ATOM 291 O GLY A 18 21.108 6.548 1.788 1.00 0.00 O ATOM 0 H GLY A 18 19.225 3.325 0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.961 3.732 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.861 4.568 0.244 1.00 0.00 H new ATOM 295 N LYS A 19 19.085 6.009 0.973 1.00 0.00 N ATOM 296 CA LYS A 19 18.475 7.272 1.321 1.00 0.00 C ATOM 297 C LYS A 19 17.126 7.050 1.961 1.00 0.00 C ATOM 298 O LYS A 19 16.492 6.018 1.766 1.00 0.00 O ATOM 299 CB LYS A 19 18.297 8.115 0.073 1.00 0.00 C ATOM 300 CG LYS A 19 18.004 9.593 0.350 1.00 0.00 C ATOM 301 CD LYS A 19 19.241 10.395 0.792 1.00 0.00 C ATOM 302 CE LYS A 19 19.487 10.482 2.316 1.00 0.00 C ATOM 303 NZ LYS A 19 20.201 9.285 2.841 1.00 0.00 N ATOM 0 H LYS A 19 18.446 5.338 0.548 1.00 0.00 H new ATOM 0 HA LYS A 19 19.126 7.786 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.200 8.043 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.482 7.699 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.590 10.047 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.240 9.664 1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.121 9.951 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 19 19.151 11.408 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.069 11.376 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.532 10.588 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.534 8.687 3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.599 8.742 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.970 9.588 3.473 1.00 0.00 H new ATOM 317 N SER A 20 16.703 8.034 2.719 1.00 0.00 N ATOM 318 CA SER A 20 15.412 7.995 3.359 1.00 0.00 C ATOM 319 C SER A 20 14.335 8.403 2.366 1.00 0.00 C ATOM 320 O SER A 20 14.518 9.348 1.597 1.00 0.00 O ATOM 321 CB SER A 20 15.420 8.928 4.555 1.00 0.00 C ATOM 322 OG SER A 20 16.424 8.550 5.483 1.00 0.00 O ATOM 0 H SER A 20 17.242 8.879 2.908 1.00 0.00 H new ATOM 0 HA SER A 20 15.198 6.983 3.702 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.593 9.951 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.445 8.912 5.041 1.00 0.00 H new ATOM 0 HG SER A 20 16.413 9.165 6.246 1.00 0.00 H new ATOM 328 N ASN A 21 13.229 7.688 2.375 1.00 0.00 N ATOM 329 CA ASN A 21 12.173 7.910 1.399 1.00 0.00 C ATOM 330 C ASN A 21 10.819 7.564 2.013 1.00 0.00 C ATOM 331 O ASN A 21 10.756 7.092 3.150 1.00 0.00 O ATOM 332 CB ASN A 21 12.450 7.037 0.161 1.00 0.00 C ATOM 333 CG ASN A 21 11.786 7.558 -1.097 1.00 0.00 C ATOM 334 OD1 ASN A 21 12.297 8.459 -1.749 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.662 6.966 -1.466 1.00 0.00 N ATOM 0 H ASN A 21 13.034 6.946 3.047 1.00 0.00 H new ATOM 0 HA ASN A 21 12.152 8.958 1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.526 6.979 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.102 6.022 0.354 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.189 7.257 -2.322 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.268 6.218 -0.895 1.00 0.00 H new ATOM 342 N PHE A 22 9.740 7.789 1.269 1.00 0.00 N ATOM 343 CA PHE A 22 8.396 7.520 1.761 1.00 0.00 C ATOM 344 C PHE A 22 7.680 6.573 0.804 1.00 0.00 C ATOM 345 O PHE A 22 7.589 6.849 -0.397 1.00 0.00 O ATOM 346 CB PHE A 22 7.584 8.816 1.873 1.00 0.00 C ATOM 347 CG PHE A 22 7.992 9.738 2.993 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.136 9.959 4.062 1.00 0.00 C ATOM 349 CD2 PHE A 22 9.212 10.397 2.972 1.00 0.00 C ATOM 350 CE1 PHE A 22 7.490 10.814 5.089 1.00 0.00 C ATOM 351 CE2 PHE A 22 9.572 11.252 3.997 1.00 0.00 C ATOM 352 CZ PHE A 22 8.710 11.459 5.057 1.00 0.00 C ATOM 0 H PHE A 22 9.773 8.159 0.319 1.00 0.00 H new ATOM 0 HA PHE A 22 8.480 7.067 2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.665 9.358 0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.533 8.557 2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.180 9.457 4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.889 10.240 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.813 10.977 5.915 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.526 11.758 3.969 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.991 12.125 5.860 1.00 0.00 H new ATOM 362 N LEU A 23 7.197 5.455 1.324 1.00 0.00 N ATOM 363 CA LEU A 23 6.414 4.521 0.526 1.00 0.00 C ATOM 364 C LEU A 23 4.964 4.969 0.508 1.00 0.00 C ATOM 365 O LEU A 23 4.546 5.759 1.353 1.00 0.00 O ATOM 366 CB LEU A 23 6.505 3.116 1.120 1.00 0.00 C ATOM 367 CG LEU A 23 6.814 1.958 0.141 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.731 0.622 0.872 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.872 1.948 -1.061 1.00 0.00 C ATOM 0 H LEU A 23 7.333 5.172 2.294 1.00 0.00 H new ATOM 0 HA LEU A 23 6.808 4.502 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.276 3.123 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.560 2.896 1.617 1.00 0.00 H new ATOM 0 HG LEU A 23 7.825 2.114 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.950 -0.188 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.456 0.607 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.728 0.491 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.129 1.117 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.844 1.833 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.969 2.886 -1.607 1.00 0.00 H new ATOM 381 N ASN A 24 4.218 4.488 -0.461 1.00 0.00 N ATOM 382 CA ASN A 24 2.790 4.745 -0.532 1.00 0.00 C ATOM 383 C ASN A 24 2.058 3.513 -1.036 1.00 0.00 C ATOM 384 O ASN A 24 2.408 2.947 -2.072 1.00 0.00 O ATOM 385 CB ASN A 24 2.502 5.956 -1.430 1.00 0.00 C ATOM 386 CG ASN A 24 1.025 6.157 -1.699 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.466 5.578 -2.626 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.391 6.999 -0.901 1.00 0.00 N ATOM 0 H ASN A 24 4.578 3.910 -1.220 1.00 0.00 H new ATOM 0 HA ASN A 24 2.428 4.975 0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.905 6.853 -0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.024 5.830 -2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.601 7.189 -1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.894 7.459 -0.142 1.00 0.00 H new ATOM 395 N CYS A 25 1.054 3.097 -0.287 1.00 0.00 N ATOM 396 CA CYS A 25 0.230 1.972 -0.668 1.00 0.00 C ATOM 397 C CYS A 25 -1.220 2.415 -0.656 1.00 0.00 C ATOM 398 O CYS A 25 -1.743 2.851 0.373 1.00 0.00 O ATOM 399 CB CYS A 25 0.453 0.802 0.282 1.00 0.00 C ATOM 400 SG CYS A 25 0.026 -0.819 -0.419 1.00 0.00 S ATOM 0 H CYS A 25 0.790 3.529 0.598 1.00 0.00 H new ATOM 0 HA CYS A 25 0.498 1.634 -1.669 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.500 0.790 0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.138 0.963 1.183 1.00 0.00 H new ATOM 405 N TYR A 26 -1.857 2.313 -1.804 1.00 0.00 N ATOM 406 CA TYR A 26 -3.195 2.814 -1.982 1.00 0.00 C ATOM 407 C TYR A 26 -4.080 1.688 -2.427 1.00 0.00 C ATOM 408 O TYR A 26 -4.063 1.287 -3.592 1.00 0.00 O ATOM 409 CB TYR A 26 -3.226 3.929 -3.029 1.00 0.00 C ATOM 410 CG TYR A 26 -3.486 5.318 -2.481 1.00 0.00 C ATOM 411 CD1 TYR A 26 -4.738 5.685 -1.998 1.00 0.00 C ATOM 412 CD2 TYR A 26 -2.487 6.278 -2.494 1.00 0.00 C ATOM 413 CE1 TYR A 26 -4.979 6.969 -1.546 1.00 0.00 C ATOM 414 CE2 TYR A 26 -2.716 7.560 -2.036 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.964 7.901 -1.565 1.00 0.00 C ATOM 416 OH TYR A 26 -4.199 9.181 -1.112 1.00 0.00 O ATOM 0 H TYR A 26 -1.458 1.880 -2.637 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.547 3.223 -1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.273 3.936 -3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.996 3.695 -3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.534 4.955 -1.976 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.509 6.018 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.958 7.240 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.921 8.291 -2.047 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.379 9.712 -1.193 1.00 0.00 H new ATOM 426 N VAL A 27 -4.830 1.156 -1.500 1.00 0.00 N ATOM 427 CA VAL A 27 -5.803 0.164 -1.835 1.00 0.00 C ATOM 428 C VAL A 27 -7.174 0.821 -1.810 1.00 0.00 C ATOM 429 O VAL A 27 -7.636 1.310 -0.780 1.00 0.00 O ATOM 430 CB VAL A 27 -5.701 -1.073 -0.919 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.047 -0.753 0.493 1.00 0.00 C ATOM 432 CG2 VAL A 27 -6.508 -2.238 -1.472 1.00 0.00 C ATOM 0 H VAL A 27 -4.783 1.395 -0.510 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.619 -0.221 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.658 -1.389 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.962 -1.653 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.364 0.007 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.069 -0.378 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.416 -3.094 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.556 -1.950 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.131 -2.506 -2.459 1.00 0.00 H new ATOM 442 N SER A 28 -7.770 0.935 -2.981 1.00 0.00 N ATOM 443 CA SER A 28 -9.005 1.679 -3.130 1.00 0.00 C ATOM 444 C SER A 28 -9.896 1.054 -4.196 1.00 0.00 C ATOM 445 O SER A 28 -9.548 0.030 -4.789 1.00 0.00 O ATOM 446 CB SER A 28 -8.696 3.139 -3.475 1.00 0.00 C ATOM 447 OG SER A 28 -7.889 3.733 -2.470 1.00 0.00 O ATOM 0 H SER A 28 -7.418 0.521 -3.844 1.00 0.00 H new ATOM 0 HA SER A 28 -9.545 1.645 -2.184 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.184 3.190 -4.436 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.626 3.698 -3.579 1.00 0.00 H new ATOM 0 HG SER A 28 -7.701 4.665 -2.709 1.00 0.00 H new ATOM 453 N GLY A 29 -11.048 1.670 -4.418 1.00 0.00 N ATOM 454 CA GLY A 29 -12.009 1.136 -5.350 1.00 0.00 C ATOM 455 C GLY A 29 -12.980 0.219 -4.652 1.00 0.00 C ATOM 456 O GLY A 29 -13.539 -0.689 -5.252 1.00 0.00 O ATOM 0 H GLY A 29 -11.332 2.537 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.552 1.952 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.492 0.592 -6.140 1.00 0.00 H new ATOM 460 N PHE A 30 -13.153 0.460 -3.365 1.00 0.00 N ATOM 461 CA PHE A 30 -14.080 -0.295 -2.546 1.00 0.00 C ATOM 462 C PHE A 30 -14.721 0.665 -1.543 1.00 0.00 C ATOM 463 O PHE A 30 -14.192 1.759 -1.327 1.00 0.00 O ATOM 464 CB PHE A 30 -13.335 -1.415 -1.807 1.00 0.00 C ATOM 465 CG PHE A 30 -12.346 -0.896 -0.799 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.134 -0.352 -1.202 1.00 0.00 C ATOM 467 CD2 PHE A 30 -12.643 -0.926 0.551 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.249 0.155 -0.277 1.00 0.00 C ATOM 469 CE2 PHE A 30 -11.752 -0.429 1.478 1.00 0.00 C ATOM 470 CZ PHE A 30 -10.557 0.114 1.061 1.00 0.00 C ATOM 0 H PHE A 30 -12.651 1.189 -2.857 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.849 -0.751 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.059 -2.054 -1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.813 -2.038 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.883 -0.326 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -13.582 -1.343 0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.313 0.585 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.991 -0.465 2.531 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.861 0.508 1.787 1.00 0.00 H new ATOM 480 N HIS A 31 -15.844 0.291 -0.938 1.00 0.00 N ATOM 481 CA HIS A 31 -16.456 1.139 0.078 1.00 0.00 C ATOM 482 C HIS A 31 -17.424 0.325 0.943 1.00 0.00 C ATOM 483 O HIS A 31 -17.738 -0.813 0.591 1.00 0.00 O ATOM 484 CB HIS A 31 -17.180 2.332 -0.578 1.00 0.00 C ATOM 485 CG HIS A 31 -18.398 1.967 -1.381 1.00 0.00 C ATOM 486 ND1 HIS A 31 -18.306 1.529 -2.685 1.00 0.00 N ATOM 487 CD2 HIS A 31 -19.706 2.012 -1.025 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.552 1.324 -3.085 1.00 0.00 C ATOM 489 NE2 HIS A 31 -20.429 1.602 -2.114 1.00 0.00 N ATOM 0 H HIS A 31 -16.342 -0.579 -1.129 1.00 0.00 H new ATOM 0 HA HIS A 31 -15.669 1.531 0.722 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -17.474 3.034 0.202 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -16.477 2.853 -1.228 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.102 2.313 -0.066 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.825 0.976 -4.070 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -21.444 1.524 -2.173 1.00 0.00 H new ATOM 497 N PRO A 32 -17.919 0.870 2.084 1.00 0.00 N ATOM 498 CA PRO A 32 -17.566 2.193 2.634 1.00 0.00 C ATOM 499 C PRO A 32 -16.311 2.128 3.509 1.00 0.00 C ATOM 500 O PRO A 32 -16.401 1.792 4.691 1.00 0.00 O ATOM 501 CB PRO A 32 -18.787 2.553 3.504 1.00 0.00 C ATOM 502 CG PRO A 32 -19.714 1.375 3.443 1.00 0.00 C ATOM 503 CD PRO A 32 -18.898 0.216 2.950 1.00 0.00 C ATOM 0 HA PRO A 32 -17.349 2.918 1.850 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.485 2.757 4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.277 3.452 3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -20.136 1.162 4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -20.550 1.574 2.773 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -18.421 -0.323 3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -19.505 -0.506 2.404 1.00 0.00 H new ATOM 511 N SER A 33 -15.149 2.451 2.928 1.00 0.00 N ATOM 512 CA SER A 33 -13.851 2.289 3.645 1.00 0.00 C ATOM 513 C SER A 33 -13.653 0.811 4.003 1.00 0.00 C ATOM 514 O SER A 33 -14.293 -0.057 3.402 1.00 0.00 O ATOM 515 CB SER A 33 -13.827 3.143 4.924 1.00 0.00 C ATOM 516 OG SER A 33 -14.079 4.510 4.632 1.00 0.00 O ATOM 0 H SER A 33 -15.067 2.821 1.981 1.00 0.00 H new ATOM 0 HA SER A 33 -13.043 2.623 2.994 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.575 2.774 5.625 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.857 3.045 5.412 1.00 0.00 H new ATOM 0 HG SER A 33 -14.060 5.031 5.462 1.00 0.00 H new ATOM 522 N ASP A 34 -12.758 0.514 4.949 1.00 0.00 N ATOM 523 CA ASP A 34 -12.611 -0.834 5.540 1.00 0.00 C ATOM 524 C ASP A 34 -11.969 -1.910 4.656 1.00 0.00 C ATOM 525 O ASP A 34 -12.635 -2.608 3.889 1.00 0.00 O ATOM 526 CB ASP A 34 -13.917 -1.375 6.093 1.00 0.00 C ATOM 527 CG ASP A 34 -14.171 -0.952 7.522 1.00 0.00 C ATOM 528 OD1 ASP A 34 -13.674 -1.641 8.439 1.00 0.00 O ATOM 529 OD2 ASP A 34 -14.878 0.053 7.736 1.00 0.00 O ATOM 0 H ASP A 34 -12.108 1.200 5.333 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.900 -0.641 6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.741 -1.033 5.466 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.906 -2.464 6.038 1.00 0.00 H new ATOM 534 N ILE A 35 -10.659 -2.006 4.794 1.00 0.00 N ATOM 535 CA ILE A 35 -9.875 -3.143 4.341 1.00 0.00 C ATOM 536 C ILE A 35 -8.613 -3.205 5.185 1.00 0.00 C ATOM 537 O ILE A 35 -8.205 -2.187 5.756 1.00 0.00 O ATOM 538 CB ILE A 35 -9.470 -3.014 2.860 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.028 -4.368 2.295 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.342 -2.008 2.728 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.096 -4.256 1.103 1.00 0.00 C ATOM 0 H ILE A 35 -10.096 -1.278 5.235 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.480 -4.044 4.444 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.335 -2.672 2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.531 -4.935 3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.911 -4.936 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.056 -1.917 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.674 -1.038 3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.484 -2.345 3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.826 -5.254 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.597 -3.717 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.195 -3.717 1.395 1.00 0.00 H new ATOM 553 N GLU A 36 -8.005 -4.368 5.308 1.00 0.00 N ATOM 554 CA GLU A 36 -6.724 -4.461 5.975 1.00 0.00 C ATOM 555 C GLU A 36 -5.631 -4.672 4.940 1.00 0.00 C ATOM 556 O GLU A 36 -5.656 -5.642 4.178 1.00 0.00 O ATOM 557 CB GLU A 36 -6.710 -5.605 6.986 1.00 0.00 C ATOM 558 CG GLU A 36 -5.613 -5.468 8.037 1.00 0.00 C ATOM 559 CD GLU A 36 -5.720 -4.174 8.811 1.00 0.00 C ATOM 560 OE1 GLU A 36 -6.124 -4.214 9.990 1.00 0.00 O ATOM 561 OE2 GLU A 36 -5.414 -3.109 8.242 1.00 0.00 O ATOM 0 H GLU A 36 -8.373 -5.253 4.959 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.547 -3.532 6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.678 -5.651 7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.579 -6.548 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.668 -6.308 8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.639 -5.519 7.551 1.00 0.00 H new ATOM 568 N VAL A 37 -4.686 -3.756 4.914 1.00 0.00 N ATOM 569 CA VAL A 37 -3.600 -3.791 3.946 1.00 0.00 C ATOM 570 C VAL A 37 -2.277 -3.588 4.657 1.00 0.00 C ATOM 571 O VAL A 37 -2.183 -2.829 5.622 1.00 0.00 O ATOM 572 CB VAL A 37 -3.822 -2.767 2.794 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.908 -1.804 3.181 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.564 -1.994 2.383 1.00 0.00 C ATOM 0 H VAL A 37 -4.645 -2.967 5.559 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.581 -4.772 3.471 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.110 -3.352 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.063 -1.087 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.833 -2.352 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.617 -1.273 4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.809 -1.304 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.186 -1.433 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.801 -2.695 2.043 1.00 0.00 H new ATOM 584 N ASP A 38 -1.274 -4.288 4.184 1.00 0.00 N ATOM 585 CA ASP A 38 -0.018 -4.413 4.899 1.00 0.00 C ATOM 586 C ASP A 38 1.153 -4.358 3.929 1.00 0.00 C ATOM 587 O ASP A 38 1.034 -4.771 2.781 1.00 0.00 O ATOM 588 CB ASP A 38 -0.037 -5.721 5.720 1.00 0.00 C ATOM 589 CG ASP A 38 1.074 -6.698 5.388 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.238 -6.403 5.706 1.00 0.00 O ATOM 591 OD2 ASP A 38 0.769 -7.789 4.860 1.00 0.00 O ATOM 0 H ASP A 38 -1.301 -4.788 3.295 1.00 0.00 H new ATOM 0 HA ASP A 38 0.107 -3.578 5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.024 -5.469 6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.995 -6.216 5.565 1.00 0.00 H new ATOM 596 N LEU A 39 2.264 -3.802 4.380 1.00 0.00 N ATOM 597 CA LEU A 39 3.434 -3.665 3.532 1.00 0.00 C ATOM 598 C LEU A 39 4.458 -4.732 3.880 1.00 0.00 C ATOM 599 O LEU A 39 4.702 -5.012 5.049 1.00 0.00 O ATOM 600 CB LEU A 39 4.050 -2.278 3.684 1.00 0.00 C ATOM 601 CG LEU A 39 3.058 -1.116 3.679 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.800 0.209 3.769 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.165 -1.148 2.449 1.00 0.00 C ATOM 0 H LEU A 39 2.380 -3.439 5.326 1.00 0.00 H new ATOM 0 HA LEU A 39 3.125 -3.793 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.613 -2.249 4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.765 -2.126 2.876 1.00 0.00 H new ATOM 0 HG LEU A 39 2.415 -1.221 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.082 1.029 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.380 0.239 4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.471 0.309 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.473 -0.307 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.780 -1.079 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.602 -2.081 2.433 1.00 0.00 H new ATOM 615 N LEU A 40 5.052 -5.315 2.858 1.00 0.00 N ATOM 616 CA LEU A 40 5.946 -6.444 3.026 1.00 0.00 C ATOM 617 C LEU A 40 7.396 -6.095 2.726 1.00 0.00 C ATOM 618 O LEU A 40 7.728 -4.993 2.295 1.00 0.00 O ATOM 619 CB LEU A 40 5.559 -7.601 2.114 1.00 0.00 C ATOM 620 CG LEU A 40 4.073 -7.913 1.989 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.875 -8.949 0.894 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.511 -8.416 3.313 1.00 0.00 C ATOM 0 H LEU A 40 4.929 -5.020 1.889 1.00 0.00 H new ATOM 0 HA LEU A 40 5.851 -6.730 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.947 -7.391 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.065 -8.498 2.471 1.00 0.00 H new ATOM 0 HG LEU A 40 3.535 -7.002 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.814 -9.178 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.248 -8.555 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.421 -9.857 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.449 -8.632 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.036 -9.324 3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.646 -7.652 4.079 1.00 0.00 H new ATOM 634 N LYS A 41 8.225 -7.100 2.943 1.00 0.00 N ATOM 635 CA LYS A 41 9.655 -7.044 2.674 1.00 0.00 C ATOM 636 C LYS A 41 10.154 -8.428 2.297 1.00 0.00 C ATOM 637 O LYS A 41 10.394 -9.263 3.172 1.00 0.00 O ATOM 638 CB LYS A 41 10.420 -6.513 3.877 1.00 0.00 C ATOM 639 CG LYS A 41 10.399 -5.001 3.979 1.00 0.00 C ATOM 640 CD LYS A 41 11.013 -4.522 5.291 1.00 0.00 C ATOM 641 CE LYS A 41 10.418 -5.250 6.488 1.00 0.00 C ATOM 642 NZ LYS A 41 11.046 -4.834 7.767 1.00 0.00 N ATOM 0 H LYS A 41 7.919 -7.998 3.319 1.00 0.00 H new ATOM 0 HA LYS A 41 9.827 -6.359 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.995 -6.938 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.454 -6.852 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.947 -4.571 3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.372 -4.644 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.091 -4.680 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.850 -3.450 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.346 -5.057 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.543 -6.325 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.609 -5.355 8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.065 -5.041 7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.904 -3.813 7.907 1.00 0.00 H new ATOM 656 N ASN A 42 10.279 -8.666 0.995 1.00 0.00 N ATOM 657 CA ASN A 42 10.634 -9.983 0.443 1.00 0.00 C ATOM 658 C ASN A 42 9.553 -11.034 0.716 1.00 0.00 C ATOM 659 O ASN A 42 9.562 -12.114 0.125 1.00 0.00 O ATOM 660 CB ASN A 42 11.995 -10.475 0.953 1.00 0.00 C ATOM 661 CG ASN A 42 13.159 -9.787 0.265 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.574 -10.185 -0.824 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.709 -8.766 0.905 1.00 0.00 N ATOM 0 H ASN A 42 10.137 -7.950 0.283 1.00 0.00 H new ATOM 0 HA ASN A 42 10.707 -9.847 -0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.060 -10.303 2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.070 -11.551 0.797 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.507 -8.278 0.497 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.335 -8.467 1.806 1.00 0.00 H new ATOM 670 N GLY A 43 8.631 -10.718 1.614 1.00 0.00 N ATOM 671 CA GLY A 43 7.523 -11.607 1.894 1.00 0.00 C ATOM 672 C GLY A 43 7.006 -11.467 3.308 1.00 0.00 C ATOM 673 O GLY A 43 6.018 -12.097 3.680 1.00 0.00 O ATOM 0 H GLY A 43 8.632 -9.855 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.713 -11.403 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.838 -12.637 1.727 1.00 0.00 H new ATOM 677 N GLU A 44 7.657 -10.624 4.089 1.00 0.00 N ATOM 678 CA GLU A 44 7.375 -10.520 5.504 1.00 0.00 C ATOM 679 C GLU A 44 6.734 -9.184 5.834 1.00 0.00 C ATOM 680 O GLU A 44 7.016 -8.186 5.178 1.00 0.00 O ATOM 681 CB GLU A 44 8.689 -10.673 6.223 1.00 0.00 C ATOM 682 CG GLU A 44 9.435 -11.905 5.777 1.00 0.00 C ATOM 683 CD GLU A 44 8.745 -13.190 6.183 1.00 0.00 C ATOM 684 OE1 GLU A 44 8.011 -13.765 5.356 1.00 0.00 O ATOM 685 OE2 GLU A 44 8.932 -13.632 7.334 1.00 0.00 O ATOM 0 H GLU A 44 8.391 -9.997 3.760 1.00 0.00 H new ATOM 0 HA GLU A 44 6.670 -11.292 5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.305 -9.792 6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.511 -10.726 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.545 -11.884 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.440 -11.888 6.200 1.00 0.00 H new ATOM 692 N ARG A 45 5.880 -9.173 6.846 1.00 0.00 N ATOM 693 CA ARG A 45 5.128 -7.980 7.194 1.00 0.00 C ATOM 694 C ARG A 45 6.017 -6.913 7.821 1.00 0.00 C ATOM 695 O ARG A 45 6.890 -7.211 8.637 1.00 0.00 O ATOM 696 CB ARG A 45 3.994 -8.324 8.169 1.00 0.00 C ATOM 697 CG ARG A 45 3.024 -7.160 8.392 1.00 0.00 C ATOM 698 CD ARG A 45 1.739 -7.544 9.135 1.00 0.00 C ATOM 699 NE ARG A 45 0.835 -6.395 9.230 1.00 0.00 N ATOM 700 CZ ARG A 45 -0.124 -6.255 10.144 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.249 -7.140 11.123 1.00 0.00 N ATOM 702 NH2 ARG A 45 -0.943 -5.210 10.088 1.00 0.00 N ATOM 0 H ARG A 45 5.691 -9.979 7.441 1.00 0.00 H new ATOM 0 HA ARG A 45 4.712 -7.584 6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.441 -9.182 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.423 -8.621 9.126 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.535 -6.379 8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.757 -6.734 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.242 -8.362 8.614 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.984 -7.904 10.134 1.00 0.00 H new ATOM 0 HE ARG A 45 0.948 -5.647 8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.391 -7.932 11.179 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.985 -7.028 11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.836 -4.518 9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.678 -5.100 10.786 1.00 0.00 H new ATOM 716 N ILE A 46 5.782 -5.671 7.424 1.00 0.00 N ATOM 717 CA ILE A 46 6.427 -4.526 8.028 1.00 0.00 C ATOM 718 C ILE A 46 5.557 -4.002 9.151 1.00 0.00 C ATOM 719 O ILE A 46 4.343 -3.860 8.998 1.00 0.00 O ATOM 720 CB ILE A 46 6.650 -3.395 7.013 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.456 -3.901 5.827 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.360 -2.222 7.680 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.582 -2.893 4.708 1.00 0.00 C ATOM 0 H ILE A 46 5.136 -5.434 6.671 1.00 0.00 H new ATOM 0 HA ILE A 46 7.399 -4.849 8.402 1.00 0.00 H new ATOM 0 HB ILE A 46 5.681 -3.053 6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.453 -4.180 6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.988 -4.806 5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.513 -1.427 6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.751 -1.848 8.503 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.325 -2.552 8.064 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.169 -3.322 3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.590 -2.632 4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.078 -1.997 5.080 1.00 0.00 H new ATOM 735 N GLU A 47 6.169 -3.704 10.273 1.00 0.00 N ATOM 736 CA GLU A 47 5.425 -3.311 11.454 1.00 0.00 C ATOM 737 C GLU A 47 5.365 -1.786 11.626 1.00 0.00 C ATOM 738 O GLU A 47 4.356 -1.262 12.093 1.00 0.00 O ATOM 739 CB GLU A 47 5.998 -3.996 12.711 1.00 0.00 C ATOM 740 CG GLU A 47 7.521 -4.009 12.813 1.00 0.00 C ATOM 741 CD GLU A 47 8.209 -4.969 11.859 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.343 -6.159 12.197 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.648 -4.519 10.777 1.00 0.00 O ATOM 0 H GLU A 47 7.181 -3.725 10.396 1.00 0.00 H new ATOM 0 HA GLU A 47 4.398 -3.648 11.317 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.596 -3.495 13.592 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.640 -5.025 12.738 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.893 -3.002 12.626 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.802 -4.268 13.834 1.00 0.00 H new ATOM 750 N LYS A 48 6.440 -1.074 11.266 1.00 0.00 N ATOM 751 CA LYS A 48 6.456 0.390 11.306 1.00 0.00 C ATOM 752 C LYS A 48 5.555 1.035 10.252 1.00 0.00 C ATOM 753 O LYS A 48 5.623 2.245 10.035 1.00 0.00 O ATOM 754 CB LYS A 48 7.886 0.884 11.122 1.00 0.00 C ATOM 755 CG LYS A 48 8.821 0.366 12.188 1.00 0.00 C ATOM 756 CD LYS A 48 9.144 1.421 13.213 1.00 0.00 C ATOM 757 CE LYS A 48 10.020 0.863 14.323 1.00 0.00 C ATOM 758 NZ LYS A 48 11.325 0.372 13.806 1.00 0.00 N ATOM 0 H LYS A 48 7.312 -1.492 10.943 1.00 0.00 H new ATOM 0 HA LYS A 48 6.063 0.685 12.279 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.250 0.574 10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.894 1.974 11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.368 -0.493 12.682 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.743 0.017 11.724 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.652 2.256 12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.220 1.813 13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.194 1.636 15.072 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.497 0.047 14.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.968 0.190 14.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.178 -0.508 13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.743 1.090 13.181 1.00 0.00 H new ATOM 772 N VAL A 49 4.752 0.237 9.569 1.00 0.00 N ATOM 773 CA VAL A 49 3.746 0.773 8.667 1.00 0.00 C ATOM 774 C VAL A 49 2.654 1.497 9.431 1.00 0.00 C ATOM 775 O VAL A 49 2.210 1.047 10.490 1.00 0.00 O ATOM 776 CB VAL A 49 3.108 -0.328 7.813 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.984 0.227 6.954 1.00 0.00 C ATOM 778 CG2 VAL A 49 4.164 -0.949 6.948 1.00 0.00 C ATOM 0 H VAL A 49 4.776 -0.781 9.621 1.00 0.00 H new ATOM 0 HA VAL A 49 4.259 1.477 8.012 1.00 0.00 H new ATOM 0 HB VAL A 49 2.679 -1.083 8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.550 -0.577 6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.216 0.659 7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.379 0.997 6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.718 -1.734 6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.598 -0.187 6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.944 -1.378 7.577 1.00 0.00 H new ATOM 788 N GLU A 50 2.223 2.610 8.881 1.00 0.00 N ATOM 789 CA GLU A 50 1.186 3.400 9.492 1.00 0.00 C ATOM 790 C GLU A 50 0.079 3.666 8.499 1.00 0.00 C ATOM 791 O GLU A 50 0.289 3.627 7.282 1.00 0.00 O ATOM 792 CB GLU A 50 1.763 4.727 9.976 1.00 0.00 C ATOM 793 CG GLU A 50 1.509 5.865 9.029 1.00 0.00 C ATOM 794 CD GLU A 50 0.621 6.941 9.629 1.00 0.00 C ATOM 795 OE1 GLU A 50 -0.046 7.674 8.866 1.00 0.00 O ATOM 796 OE2 GLU A 50 0.588 7.063 10.869 1.00 0.00 O ATOM 0 H GLU A 50 2.580 2.988 8.004 1.00 0.00 H new ATOM 0 HA GLU A 50 0.780 2.849 10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.333 4.969 10.948 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.838 4.617 10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.461 6.307 8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.044 5.480 8.122 1.00 0.00 H new ATOM 803 N HIS A 51 -1.098 3.912 9.021 1.00 0.00 N ATOM 804 CA HIS A 51 -2.167 4.445 8.209 1.00 0.00 C ATOM 805 C HIS A 51 -2.657 5.777 8.763 1.00 0.00 C ATOM 806 O HIS A 51 -2.905 5.921 9.964 1.00 0.00 O ATOM 807 CB HIS A 51 -3.328 3.451 8.069 1.00 0.00 C ATOM 808 CG HIS A 51 -3.901 2.965 9.369 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.189 3.268 9.743 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.330 2.199 10.331 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.372 2.683 10.913 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.274 2.027 11.307 1.00 0.00 N ATOM 0 H HIS A 51 -1.340 3.753 9.999 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.763 4.615 7.211 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.123 3.922 7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.984 2.590 7.495 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.326 1.802 10.328 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.290 2.728 11.479 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.162 1.498 12.172 1.00 0.00 H new ATOM 820 N SER A 52 -2.753 6.752 7.871 1.00 0.00 N ATOM 821 CA SER A 52 -3.166 8.104 8.226 1.00 0.00 C ATOM 822 C SER A 52 -4.673 8.198 8.460 1.00 0.00 C ATOM 823 O SER A 52 -5.353 7.174 8.566 1.00 0.00 O ATOM 824 CB SER A 52 -2.739 9.063 7.108 1.00 0.00 C ATOM 825 OG SER A 52 -1.335 9.243 7.113 1.00 0.00 O ATOM 0 H SER A 52 -2.547 6.629 6.880 1.00 0.00 H new ATOM 0 HA SER A 52 -2.681 8.379 9.162 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.057 8.669 6.143 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.235 10.025 7.238 1.00 0.00 H new ATOM 0 HG SER A 52 -0.916 8.530 7.638 1.00 0.00 H new ATOM 973 N PHE A 62 -14.290 5.717 -1.005 1.00 0.00 N ATOM 974 CA PHE A 62 -13.445 5.971 0.154 1.00 0.00 C ATOM 975 C PHE A 62 -12.070 5.355 -0.075 1.00 0.00 C ATOM 976 O PHE A 62 -11.928 4.404 -0.846 1.00 0.00 O ATOM 977 CB PHE A 62 -14.061 5.383 1.437 1.00 0.00 C ATOM 978 CG PHE A 62 -15.436 5.902 1.812 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.573 5.438 1.162 1.00 0.00 C ATOM 980 CD2 PHE A 62 -15.593 6.825 2.843 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.833 5.885 1.526 1.00 0.00 C ATOM 982 CE2 PHE A 62 -16.854 7.276 3.207 1.00 0.00 C ATOM 983 CZ PHE A 62 -17.971 6.803 2.547 1.00 0.00 C ATOM 0 HA PHE A 62 -13.357 7.050 0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -14.121 4.300 1.324 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.381 5.580 2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -16.473 4.719 0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -14.723 7.194 3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.707 5.515 1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -16.962 7.996 4.005 1.00 0.00 H new ATOM 0 HZ PHE A 62 -18.953 7.152 2.830 1.00 0.00 H new ATOM 993 N TYR A 63 -11.064 5.903 0.588 1.00 0.00 N ATOM 994 CA TYR A 63 -9.693 5.437 0.428 1.00 0.00 C ATOM 995 C TYR A 63 -9.069 5.202 1.792 1.00 0.00 C ATOM 996 O TYR A 63 -9.410 5.885 2.753 1.00 0.00 O ATOM 997 CB TYR A 63 -8.850 6.476 -0.330 1.00 0.00 C ATOM 998 CG TYR A 63 -9.661 7.464 -1.130 1.00 0.00 C ATOM 999 CD1 TYR A 63 -10.082 8.651 -0.549 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.011 7.218 -2.451 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -10.828 9.563 -1.255 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.760 8.131 -3.168 1.00 0.00 C ATOM 1003 CZ TYR A 63 -11.164 9.302 -2.562 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.913 10.212 -3.265 1.00 0.00 O ATOM 0 H TYR A 63 -11.171 6.675 1.246 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.713 4.508 -0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.236 7.022 0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.168 5.954 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.819 8.862 0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.693 6.301 -2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.149 10.481 -0.785 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.027 7.929 -4.195 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.064 9.879 -4.174 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.170 4.237 1.884 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.384 4.061 3.090 1.00 0.00 C ATOM 1016 C LEU A 64 -5.921 3.857 2.707 1.00 0.00 C ATOM 1017 O LEU A 64 -5.597 3.048 1.836 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.988 2.923 3.940 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.070 2.247 4.950 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.863 1.880 6.192 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.465 1.002 4.333 1.00 0.00 C ATOM 0 H LEU A 64 -7.968 3.567 1.142 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.414 4.950 3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.847 3.323 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.365 2.158 3.261 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.268 2.931 5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.205 1.396 6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.286 2.782 6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.668 1.197 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.808 0.519 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.261 0.313 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.890 1.277 3.449 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.051 4.626 3.355 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.653 4.730 2.947 1.00 0.00 C ATOM 1035 C LEU A 65 -2.745 4.049 3.961 1.00 0.00 C ATOM 1036 O LEU A 65 -2.863 4.276 5.162 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.260 6.213 2.818 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.234 6.582 1.728 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -2.049 8.096 1.673 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.889 5.899 1.949 1.00 0.00 C ATOM 0 H LEU A 65 -5.291 5.190 4.170 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.535 4.233 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.168 6.787 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.864 6.541 3.779 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.628 6.227 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.322 8.346 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.003 8.571 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.690 8.454 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.199 6.189 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.482 6.201 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.023 4.817 1.935 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.831 3.237 3.469 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.855 2.569 4.317 1.00 0.00 C ATOM 1054 C TYR A 66 0.557 2.842 3.808 1.00 0.00 C ATOM 1055 O TYR A 66 0.891 2.505 2.676 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.129 1.062 4.360 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.014 0.595 5.504 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.363 0.289 5.311 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.481 0.414 6.779 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.139 -0.177 6.360 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.259 -0.046 7.827 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.581 -0.341 7.610 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.350 -0.802 8.655 1.00 0.00 O ATOM 0 H TYR A 66 -1.741 3.020 2.476 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.942 2.963 5.330 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.594 0.767 3.419 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.175 0.538 4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.806 0.417 4.334 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.439 0.637 6.953 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.181 -0.412 6.199 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.828 -0.172 8.809 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.043 -1.403 8.311 1.00 0.00 H new ATOM 1073 N TYR A 67 1.376 3.482 4.634 1.00 0.00 N ATOM 1074 CA TYR A 67 2.739 3.815 4.218 1.00 0.00 C ATOM 1075 C TYR A 67 3.744 3.562 5.329 1.00 0.00 C ATOM 1076 O TYR A 67 3.372 3.290 6.468 1.00 0.00 O ATOM 1077 CB TYR A 67 2.840 5.278 3.755 1.00 0.00 C ATOM 1078 CG TYR A 67 2.563 6.300 4.824 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.540 6.651 5.746 1.00 0.00 C ATOM 1080 CD2 TYR A 67 1.330 6.918 4.903 1.00 0.00 C ATOM 1081 CE1 TYR A 67 3.294 7.595 6.717 1.00 0.00 C ATOM 1082 CE2 TYR A 67 1.073 7.862 5.869 1.00 0.00 C ATOM 1083 CZ TYR A 67 2.059 8.201 6.774 1.00 0.00 C ATOM 1084 OH TYR A 67 1.806 9.142 7.748 1.00 0.00 O ATOM 0 H TYR A 67 1.130 3.777 5.579 1.00 0.00 H new ATOM 0 HA TYR A 67 2.979 3.161 3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.840 5.450 3.358 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.140 5.433 2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.509 6.176 5.701 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.557 6.656 4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.063 7.858 7.428 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.104 8.336 5.920 1.00 0.00 H new ATOM 0 HH TYR A 67 0.920 8.982 8.135 1.00 0.00 H new ATOM 1094 N THR A 68 5.020 3.656 4.985 1.00 0.00 N ATOM 1095 CA THR A 68 6.088 3.546 5.963 1.00 0.00 C ATOM 1096 C THR A 68 7.305 4.340 5.496 1.00 0.00 C ATOM 1097 O THR A 68 7.555 4.465 4.291 1.00 0.00 O ATOM 1098 CB THR A 68 6.482 2.068 6.202 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.467 1.969 7.239 1.00 0.00 O ATOM 1100 CG2 THR A 68 7.006 1.420 4.923 1.00 0.00 C ATOM 0 H THR A 68 5.341 3.809 4.029 1.00 0.00 H new ATOM 0 HA THR A 68 5.726 3.956 6.906 1.00 0.00 H new ATOM 0 HB THR A 68 5.584 1.534 6.513 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.703 1.028 7.378 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.274 0.383 5.124 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.233 1.453 4.155 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.886 1.961 4.575 1.00 0.00 H new ATOM 1108 N GLU A 69 8.030 4.907 6.450 1.00 0.00 N ATOM 1109 CA GLU A 69 9.273 5.600 6.159 1.00 0.00 C ATOM 1110 C GLU A 69 10.406 4.583 6.181 1.00 0.00 C ATOM 1111 O GLU A 69 10.557 3.827 7.146 1.00 0.00 O ATOM 1112 CB GLU A 69 9.494 6.728 7.181 1.00 0.00 C ATOM 1113 CG GLU A 69 10.715 7.602 6.925 1.00 0.00 C ATOM 1114 CD GLU A 69 11.935 7.134 7.681 1.00 0.00 C ATOM 1115 OE1 GLU A 69 12.945 6.785 7.039 1.00 0.00 O ATOM 1116 OE2 GLU A 69 11.888 7.121 8.930 1.00 0.00 O ATOM 0 H GLU A 69 7.775 4.899 7.438 1.00 0.00 H new ATOM 0 HA GLU A 69 9.237 6.062 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.608 7.363 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.585 6.286 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.935 7.609 5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.488 8.629 7.210 1.00 0.00 H new ATOM 1123 N PHE A 70 11.184 4.553 5.115 1.00 0.00 N ATOM 1124 CA PHE A 70 12.144 3.478 4.903 1.00 0.00 C ATOM 1125 C PHE A 70 13.416 4.004 4.244 1.00 0.00 C ATOM 1126 O PHE A 70 13.426 5.108 3.693 1.00 0.00 O ATOM 1127 CB PHE A 70 11.511 2.354 4.059 1.00 0.00 C ATOM 1128 CG PHE A 70 11.110 2.745 2.656 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.784 4.049 2.335 1.00 0.00 C ATOM 1130 CD2 PHE A 70 11.054 1.790 1.659 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.417 4.393 1.051 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.686 2.125 0.371 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.368 3.431 0.064 1.00 0.00 C ATOM 0 H PHE A 70 11.172 5.260 4.380 1.00 0.00 H new ATOM 0 HA PHE A 70 12.419 3.066 5.874 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.217 1.526 3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.629 1.984 4.581 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.817 4.810 3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.302 0.765 1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.167 5.418 0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.647 1.365 -0.395 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.082 3.699 -0.943 1.00 0.00 H new ATOM 1143 N THR A 71 14.487 3.228 4.321 1.00 0.00 N ATOM 1144 CA THR A 71 15.722 3.551 3.627 1.00 0.00 C ATOM 1145 C THR A 71 16.047 2.459 2.594 1.00 0.00 C ATOM 1146 O THR A 71 16.767 1.507 2.899 1.00 0.00 O ATOM 1147 CB THR A 71 16.882 3.694 4.631 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.467 4.536 5.718 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.115 4.295 3.970 1.00 0.00 C ATOM 0 H THR A 71 14.524 2.364 4.862 1.00 0.00 H new ATOM 0 HA THR A 71 15.593 4.501 3.109 1.00 0.00 H new ATOM 0 HB THR A 71 17.141 2.701 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.202 4.628 6.360 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.915 4.383 4.705 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.441 3.650 3.154 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.873 5.283 3.578 1.00 0.00 H new ATOM 1157 N PRO A 72 15.480 2.572 1.372 1.00 0.00 N ATOM 1158 CA PRO A 72 15.672 1.594 0.280 1.00 0.00 C ATOM 1159 C PRO A 72 17.131 1.254 -0.008 1.00 0.00 C ATOM 1160 O PRO A 72 18.021 2.093 0.141 1.00 0.00 O ATOM 1161 CB PRO A 72 15.064 2.295 -0.952 1.00 0.00 C ATOM 1162 CG PRO A 72 14.783 3.704 -0.529 1.00 0.00 C ATOM 1163 CD PRO A 72 14.579 3.656 0.954 1.00 0.00 C ATOM 0 HA PRO A 72 15.211 0.642 0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.755 2.271 -1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.151 1.795 -1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.613 4.362 -0.788 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.898 4.094 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.838 4.603 1.429 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.542 3.442 1.213 1.00 0.00 H new ATOM 1171 N THR A 73 17.361 0.012 -0.428 1.00 0.00 N ATOM 1172 CA THR A 73 18.684 -0.451 -0.802 1.00 0.00 C ATOM 1173 C THR A 73 18.581 -1.319 -2.052 1.00 0.00 C ATOM 1174 O THR A 73 17.481 -1.571 -2.544 1.00 0.00 O ATOM 1175 CB THR A 73 19.369 -1.269 0.323 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.730 -2.539 0.480 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.338 -0.527 1.652 1.00 0.00 C ATOM 0 H THR A 73 16.633 -0.697 -0.517 1.00 0.00 H new ATOM 0 HA THR A 73 19.295 0.432 -0.988 1.00 0.00 H new ATOM 0 HB THR A 73 20.408 -1.414 0.029 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.847 -2.516 0.055 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.827 -1.130 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.861 0.424 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.304 -0.343 1.942 1.00 0.00 H new ATOM 1185 N GLU A 74 19.713 -1.742 -2.585 1.00 0.00 N ATOM 1186 CA GLU A 74 19.734 -2.670 -3.710 1.00 0.00 C ATOM 1187 C GLU A 74 19.148 -4.022 -3.313 1.00 0.00 C ATOM 1188 O GLU A 74 18.324 -4.598 -4.024 1.00 0.00 O ATOM 1189 CB GLU A 74 21.185 -2.848 -4.166 1.00 0.00 C ATOM 1190 CG GLU A 74 21.368 -3.489 -5.534 1.00 0.00 C ATOM 1191 CD GLU A 74 21.085 -4.979 -5.575 1.00 0.00 C ATOM 1192 OE1 GLU A 74 20.067 -5.379 -6.169 1.00 0.00 O ATOM 1193 OE2 GLU A 74 21.899 -5.762 -5.043 1.00 0.00 O ATOM 0 H GLU A 74 20.636 -1.458 -2.257 1.00 0.00 H new ATOM 0 HA GLU A 74 19.127 -2.266 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.667 -1.871 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.708 -3.455 -3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 74 20.712 -2.988 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.391 -3.317 -5.867 1.00 0.00 H new ATOM 1200 N LYS A 75 19.558 -4.486 -2.149 1.00 0.00 N ATOM 1201 CA LYS A 75 19.358 -5.857 -1.748 1.00 0.00 C ATOM 1202 C LYS A 75 18.000 -6.092 -1.110 1.00 0.00 C ATOM 1203 O LYS A 75 17.491 -7.213 -1.143 1.00 0.00 O ATOM 1204 CB LYS A 75 20.460 -6.255 -0.782 1.00 0.00 C ATOM 1205 CG LYS A 75 21.840 -6.271 -1.416 1.00 0.00 C ATOM 1206 CD LYS A 75 22.864 -5.659 -0.488 1.00 0.00 C ATOM 1207 CE LYS A 75 24.279 -5.847 -1.005 1.00 0.00 C ATOM 1208 NZ LYS A 75 25.292 -5.359 -0.034 1.00 0.00 N ATOM 0 H LYS A 75 20.041 -3.917 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 75 19.392 -6.473 -2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.463 -5.563 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.241 -7.244 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.124 -7.296 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.820 -5.720 -2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.658 -4.595 -0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.775 -6.111 0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.453 -6.903 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.395 -5.314 -1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 26.245 -5.505 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 25.142 -4.345 0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 25.199 -5.885 0.859 1.00 0.00 H new ATOM 1222 N ASP A 76 17.399 -5.067 -0.527 1.00 0.00 N ATOM 1223 CA ASP A 76 16.126 -5.277 0.142 1.00 0.00 C ATOM 1224 C ASP A 76 14.966 -4.990 -0.811 1.00 0.00 C ATOM 1225 O ASP A 76 15.169 -4.488 -1.916 1.00 0.00 O ATOM 1226 CB ASP A 76 16.026 -4.452 1.440 1.00 0.00 C ATOM 1227 CG ASP A 76 15.889 -2.958 1.236 1.00 0.00 C ATOM 1228 OD1 ASP A 76 16.199 -2.457 0.140 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.504 -2.274 2.203 1.00 0.00 O ATOM 0 H ASP A 76 17.757 -4.112 -0.502 1.00 0.00 H new ATOM 0 HA ASP A 76 16.063 -6.325 0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.169 -4.806 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.914 -4.642 2.043 1.00 0.00 H new ATOM 1234 N GLU A 77 13.763 -5.349 -0.394 1.00 0.00 N ATOM 1235 CA GLU A 77 12.590 -5.232 -1.244 1.00 0.00 C ATOM 1236 C GLU A 77 11.350 -5.059 -0.388 1.00 0.00 C ATOM 1237 O GLU A 77 11.293 -5.561 0.735 1.00 0.00 O ATOM 1238 CB GLU A 77 12.485 -6.480 -2.148 1.00 0.00 C ATOM 1239 CG GLU A 77 11.133 -6.691 -2.841 1.00 0.00 C ATOM 1240 CD GLU A 77 10.286 -7.737 -2.141 1.00 0.00 C ATOM 1241 OE1 GLU A 77 9.470 -7.371 -1.275 1.00 0.00 O ATOM 1242 OE2 GLU A 77 10.445 -8.936 -2.454 1.00 0.00 O ATOM 0 H GLU A 77 13.573 -5.726 0.534 1.00 0.00 H new ATOM 0 HA GLU A 77 12.679 -4.354 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.258 -6.417 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.704 -7.361 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.590 -5.746 -2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.300 -6.994 -3.875 1.00 0.00 H new ATOM 1249 N TYR A 78 10.378 -4.328 -0.911 1.00 0.00 N ATOM 1250 CA TYR A 78 9.129 -4.103 -0.216 1.00 0.00 C ATOM 1251 C TYR A 78 7.956 -4.448 -1.119 1.00 0.00 C ATOM 1252 O TYR A 78 8.025 -4.301 -2.343 1.00 0.00 O ATOM 1253 CB TYR A 78 9.009 -2.649 0.245 1.00 0.00 C ATOM 1254 CG TYR A 78 10.291 -2.068 0.788 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.591 -2.137 2.138 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.198 -1.446 -0.056 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.759 -1.600 2.636 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.369 -0.911 0.432 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.646 -0.990 1.778 1.00 0.00 C ATOM 1260 OH TYR A 78 13.800 -0.436 2.270 1.00 0.00 O ATOM 0 H TYR A 78 10.436 -3.878 -1.825 1.00 0.00 H new ATOM 0 HA TYR A 78 9.114 -4.748 0.662 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.673 -2.040 -0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.239 -2.585 1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.899 -2.619 2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.983 -1.380 -1.112 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.977 -1.658 3.692 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.067 -0.432 -0.238 1.00 0.00 H new ATOM 0 HH TYR A 78 14.422 -1.149 2.526 1.00 0.00 H new ATOM 1270 N ALA A 79 6.883 -4.905 -0.510 1.00 0.00 N ATOM 1271 CA ALA A 79 5.693 -5.299 -1.259 1.00 0.00 C ATOM 1272 C ALA A 79 4.424 -4.816 -0.563 1.00 0.00 C ATOM 1273 O ALA A 79 4.470 -4.394 0.577 1.00 0.00 O ATOM 1274 CB ALA A 79 5.674 -6.806 -1.460 1.00 0.00 C ATOM 0 H ALA A 79 6.803 -5.016 0.501 1.00 0.00 H new ATOM 0 HA ALA A 79 5.727 -4.825 -2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.782 -7.087 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.561 -7.110 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.665 -7.302 -0.490 1.00 0.00 H new ATOM 1280 N CYS A 80 3.309 -4.814 -1.272 1.00 0.00 N ATOM 1281 CA CYS A 80 2.029 -4.404 -0.697 1.00 0.00 C ATOM 1282 C CYS A 80 1.044 -5.575 -0.669 1.00 0.00 C ATOM 1283 O CYS A 80 0.900 -6.288 -1.660 1.00 0.00 O ATOM 1284 CB CYS A 80 1.440 -3.262 -1.520 1.00 0.00 C ATOM 1285 SG CYS A 80 1.838 -1.609 -0.890 1.00 0.00 S ATOM 0 H CYS A 80 3.259 -5.092 -2.252 1.00 0.00 H new ATOM 0 HA CYS A 80 2.201 -4.071 0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.801 -3.344 -2.545 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.356 -3.375 -1.553 1.00 0.00 H new ATOM 1290 N ARG A 81 0.380 -5.766 0.463 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.617 -6.825 0.637 1.00 0.00 C ATOM 1292 C ARG A 81 -1.952 -6.224 1.052 1.00 0.00 C ATOM 1293 O ARG A 81 -1.986 -5.254 1.800 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.161 -7.779 1.741 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.007 -9.048 1.892 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.619 -9.823 3.155 1.00 0.00 C ATOM 1297 NE ARG A 81 -1.763 -10.333 3.907 1.00 0.00 N ATOM 1298 CZ ARG A 81 -1.705 -10.579 5.218 1.00 0.00 C ATOM 1299 NH1 ARG A 81 -0.618 -10.228 5.901 1.00 0.00 N ATOM 1300 NH2 ARG A 81 -2.740 -11.125 5.849 1.00 0.00 N ATOM 0 H ARG A 81 0.515 -5.190 1.294 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.727 -7.357 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.871 -8.070 1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.167 -7.242 2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.063 -8.782 1.935 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.874 -9.684 1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.022 -10.659 2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.030 -9.173 3.803 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.638 -10.507 3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.161 -9.775 5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.564 -10.412 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.587 -11.359 5.331 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.687 -11.310 6.851 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.051 -6.790 0.566 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.373 -6.391 1.037 1.00 0.00 C ATOM 1316 C VAL A 82 -5.264 -7.607 1.209 1.00 0.00 C ATOM 1317 O VAL A 82 -5.162 -8.583 0.465 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.071 -5.367 0.116 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.082 -4.365 -0.410 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.819 -6.042 -1.016 1.00 0.00 C ATOM 0 H VAL A 82 -3.054 -7.519 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.214 -5.900 1.997 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.810 -4.837 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.595 -3.653 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.624 -3.833 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.309 -4.881 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.295 -5.285 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.120 -6.622 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.580 -6.705 -0.605 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.106 -7.550 2.215 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.006 -8.649 2.531 1.00 0.00 C ATOM 1332 C ASN A 83 -8.461 -8.186 2.514 1.00 0.00 C ATOM 1333 O ASN A 83 -8.854 -7.349 3.329 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.680 -9.202 3.928 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.201 -9.496 4.137 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -4.755 -10.632 4.019 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.423 -8.465 4.425 1.00 0.00 N ATOM 0 H ASN A 83 -6.191 -6.747 2.838 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.870 -9.424 1.776 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.009 -8.484 4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.250 -10.117 4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.421 -8.603 4.556 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.825 -7.532 4.516 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.262 -8.724 1.599 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.685 -8.433 1.576 1.00 0.00 C ATOM 1346 C HIS A 84 -11.439 -9.709 1.254 1.00 0.00 C ATOM 1347 O HIS A 84 -10.839 -10.678 0.787 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.011 -7.364 0.534 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.272 -6.606 0.824 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.431 -6.867 0.132 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.504 -5.610 1.720 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.335 -6.030 0.617 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.818 -5.255 1.577 1.00 0.00 N ATOM 0 H HIS A 84 -8.948 -9.361 0.867 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.984 -8.053 2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.180 -6.661 0.475 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.098 -7.837 -0.444 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.791 -5.183 2.410 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.360 -5.979 0.280 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.311 -4.534 2.104 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.741 -9.714 1.492 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.557 -10.889 1.217 1.00 0.00 C ATOM 1363 C VAL A 85 -13.641 -11.155 -0.284 1.00 0.00 C ATOM 1364 O VAL A 85 -13.900 -12.278 -0.712 1.00 0.00 O ATOM 1365 CB VAL A 85 -14.984 -10.740 1.790 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -14.934 -10.485 3.288 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.745 -9.624 1.080 1.00 0.00 C ATOM 0 H VAL A 85 -13.256 -8.921 1.874 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.072 -11.733 1.708 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.517 -11.675 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.948 -10.383 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.440 -11.321 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.378 -9.568 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.746 -9.540 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.215 -8.681 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.818 -9.853 0.017 1.00 0.00 H new ATOM 1377 N THR A 86 -13.431 -10.110 -1.080 1.00 0.00 N ATOM 1378 CA THR A 86 -13.539 -10.209 -2.524 1.00 0.00 C ATOM 1379 C THR A 86 -12.429 -11.051 -3.116 1.00 0.00 C ATOM 1380 O THR A 86 -12.671 -11.975 -3.895 1.00 0.00 O ATOM 1381 CB THR A 86 -13.463 -8.816 -3.145 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.381 -8.092 -2.550 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.747 -8.047 -2.938 1.00 0.00 C ATOM 0 H THR A 86 -13.183 -9.180 -0.741 1.00 0.00 H new ATOM 0 HA THR A 86 -14.496 -10.682 -2.744 1.00 0.00 H new ATOM 0 HB THR A 86 -13.302 -8.931 -4.217 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.710 -7.590 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.658 -7.060 -3.393 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.573 -8.587 -3.401 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.938 -7.939 -1.870 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.211 -10.701 -2.753 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.041 -11.378 -3.263 1.00 0.00 C ATOM 1393 C LEU A 87 -10.020 -12.804 -2.728 1.00 0.00 C ATOM 1394 O LEU A 87 -10.032 -13.015 -1.516 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.759 -10.633 -2.853 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.635 -9.193 -3.366 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.262 -8.614 -3.033 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.891 -9.134 -4.866 1.00 0.00 C ATOM 0 H LEU A 87 -11.008 -9.944 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.083 -11.397 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.702 -10.618 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.900 -11.202 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.390 -8.588 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.198 -7.592 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.119 -8.615 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.488 -9.221 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.798 -8.104 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.162 -9.757 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.896 -9.499 -5.078 1.00 0.00 H new ATOM 1410 N SER A 88 -10.017 -13.779 -3.628 1.00 0.00 N ATOM 1411 CA SER A 88 -9.981 -15.187 -3.243 1.00 0.00 C ATOM 1412 C SER A 88 -8.690 -15.504 -2.487 1.00 0.00 C ATOM 1413 O SER A 88 -8.569 -16.533 -1.818 1.00 0.00 O ATOM 1414 CB SER A 88 -10.117 -16.051 -4.492 1.00 0.00 C ATOM 1415 OG SER A 88 -9.446 -15.452 -5.589 1.00 0.00 O ATOM 0 H SER A 88 -10.039 -13.621 -4.635 1.00 0.00 H new ATOM 0 HA SER A 88 -10.813 -15.404 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.703 -17.041 -4.302 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.171 -16.187 -4.734 1.00 0.00 H new ATOM 0 HG SER A 88 -9.542 -16.021 -6.381 1.00 0.00 H new ATOM 1421 N GLN A 89 -7.733 -14.600 -2.610 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.501 -14.632 -1.846 1.00 0.00 C ATOM 1423 C GLN A 89 -6.048 -13.203 -1.634 1.00 0.00 C ATOM 1424 O GLN A 89 -6.185 -12.390 -2.550 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.407 -15.435 -2.583 1.00 0.00 C ATOM 1426 CG GLN A 89 -5.659 -15.631 -4.071 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.330 -14.398 -4.892 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -4.432 -13.628 -4.556 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -6.046 -14.211 -5.987 1.00 0.00 N ATOM 0 H GLN A 89 -7.793 -13.811 -3.254 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.676 -15.125 -0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.452 -14.926 -2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.313 -16.413 -2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.061 -16.470 -4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.705 -15.896 -4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.783 -14.872 -6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.861 -13.406 -6.586 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.583 -12.835 -0.422 1.00 0.00 N ATOM 1439 CA PRO A 90 -4.943 -11.538 -0.216 1.00 0.00 C ATOM 1440 C PRO A 90 -3.955 -11.211 -1.322 1.00 0.00 C ATOM 1441 O PRO A 90 -3.222 -12.082 -1.796 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.231 -11.721 1.115 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.156 -12.601 1.871 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.691 -13.594 0.856 1.00 0.00 C ATOM 0 HA PRO A 90 -5.653 -10.711 -0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.251 -12.180 0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.074 -10.769 1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.637 -13.111 2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.965 -12.026 2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.102 -14.511 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.720 -13.881 1.072 1.00 0.00 H new ATOM 1452 N LYS A 91 -3.907 -9.950 -1.699 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.205 -9.561 -2.900 1.00 0.00 C ATOM 1454 C LYS A 91 -1.881 -8.928 -2.560 1.00 0.00 C ATOM 1455 O LYS A 91 -1.822 -7.991 -1.766 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.014 -8.577 -3.735 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.317 -8.230 -5.032 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.239 -9.437 -5.938 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.550 -9.686 -6.663 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.955 -8.526 -7.503 1.00 0.00 N ATOM 0 H LYS A 91 -4.345 -9.181 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.047 -10.470 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.993 -9.004 -3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.184 -7.667 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.854 -7.426 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.313 -7.861 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.442 -9.292 -6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.977 -10.316 -5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.454 -10.572 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.333 -9.896 -5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.223 -8.860 -8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.766 -8.045 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.160 -7.861 -7.583 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.828 -9.448 -3.150 1.00 0.00 N ATOM 1475 CA ILE A 92 0.489 -8.869 -2.995 1.00 0.00 C ATOM 1476 C ILE A 92 0.960 -8.290 -4.312 1.00 0.00 C ATOM 1477 O ILE A 92 0.930 -8.952 -5.348 1.00 0.00 O ATOM 1478 CB ILE A 92 1.548 -9.883 -2.501 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.252 -10.350 -1.072 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.948 -9.279 -2.574 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.188 -11.419 -0.969 1.00 0.00 C ATOM 0 H ILE A 92 -0.858 -10.276 -3.745 1.00 0.00 H new ATOM 0 HA ILE A 92 0.390 -8.093 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 92 1.502 -10.751 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.173 -10.728 -0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.943 -9.489 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.678 -10.008 -2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.174 -9.008 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.993 -8.389 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.044 -11.689 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.749 -11.041 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.501 -12.299 -1.531 1.00 0.00 H new ATOM 1493 N VAL A 93 1.371 -7.048 -4.260 1.00 0.00 N ATOM 1494 CA VAL A 93 1.992 -6.396 -5.386 1.00 0.00 C ATOM 1495 C VAL A 93 3.308 -5.800 -4.926 1.00 0.00 C ATOM 1496 O VAL A 93 3.358 -5.080 -3.932 1.00 0.00 O ATOM 1497 CB VAL A 93 1.092 -5.295 -5.992 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.789 -4.611 -7.159 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.241 -5.881 -6.436 1.00 0.00 C ATOM 0 H VAL A 93 1.284 -6.458 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 93 2.156 -7.135 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 93 0.902 -4.547 -5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.138 -3.840 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.717 -4.156 -6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.013 -5.347 -7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.862 -5.092 -6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.068 -6.650 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.749 -6.321 -5.578 1.00 0.00 H new ATOM 1509 N LYS A 94 4.368 -6.127 -5.632 1.00 0.00 N ATOM 1510 CA LYS A 94 5.690 -5.668 -5.255 1.00 0.00 C ATOM 1511 C LYS A 94 5.889 -4.226 -5.679 1.00 0.00 C ATOM 1512 O LYS A 94 5.306 -3.772 -6.663 1.00 0.00 O ATOM 1513 CB LYS A 94 6.766 -6.553 -5.859 1.00 0.00 C ATOM 1514 CG LYS A 94 6.933 -7.888 -5.157 1.00 0.00 C ATOM 1515 CD LYS A 94 8.036 -8.694 -5.813 1.00 0.00 C ATOM 1516 CE LYS A 94 8.742 -9.612 -4.828 1.00 0.00 C ATOM 1517 NZ LYS A 94 7.809 -10.539 -4.134 1.00 0.00 N ATOM 0 H LYS A 94 4.342 -6.708 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 94 5.774 -5.728 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.528 -6.733 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.716 -6.020 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.168 -7.726 -4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.997 -8.445 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.616 -9.289 -6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.763 -8.015 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.497 -10.193 -5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.265 -9.008 -4.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.353 -11.208 -3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.167 -9.993 -3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.254 -11.065 -4.839 1.00 0.00 H new ATOM 1531 N TRP A 95 6.696 -3.506 -4.914 1.00 0.00 N ATOM 1532 CA TRP A 95 6.944 -2.100 -5.175 1.00 0.00 C ATOM 1533 C TRP A 95 7.858 -1.927 -6.383 1.00 0.00 C ATOM 1534 O TRP A 95 9.035 -2.292 -6.349 1.00 0.00 O ATOM 1535 CB TRP A 95 7.555 -1.429 -3.929 1.00 0.00 C ATOM 1536 CG TRP A 95 7.916 0.005 -4.135 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.074 1.015 -4.489 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.213 0.593 -3.984 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.765 2.195 -4.579 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.082 1.964 -4.272 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.473 0.092 -3.635 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.158 2.840 -4.221 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.545 0.963 -3.586 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.379 2.328 -3.878 1.00 0.00 C ATOM 0 H TRP A 95 7.192 -3.877 -4.103 1.00 0.00 H new ATOM 0 HA TRP A 95 5.994 -1.616 -5.401 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.846 -1.501 -3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.447 -1.980 -3.631 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.016 0.902 -4.672 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.365 3.098 -4.833 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.605 -0.956 -3.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.035 3.889 -4.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.523 0.590 -3.320 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.234 2.986 -3.830 1.00 0.00 H new