USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= -1.63! USER MOD Set 2.2: A 67 TYR OH : rot 169:sc= 0.164 USER MOD Single : A 4 THR OG1 : rot 23:sc= 0.794 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 108:sc= 1.5 USER MOD Single : A 11 SER OG : rot 180:sc= 0.124 USER MOD Single : A 13 HIS : no HD1:sc= -0.295 X(o=-0.3,f=-0.067) USER MOD Single : A 17 ASN : amide:sc= -3.24! C(o=-3.2!,f=-6.7!) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0249 (180deg=-0.225) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.675 F(o=-2!,f=-0.67) USER MOD Single : A 24 ASN : amide:sc= -0.751 K(o=-0.75,f=-1.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.16) 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= -0.103 X(o=-0.1,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0723 X(o=-0.072,f=-0.033) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -150:sc= 1.24 USER MOD Single : A 68 THR OG1 : rot -160:sc= 0 USER MOD Single : A 73 THR OG1 : rot -16:sc= 0.669 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0303 (180deg=-0.245) USER MOD Single : A 78 TYR OH : rot -90:sc= 0.482 USER MOD Single : A 83 ASN : amide:sc= -0.117 K(o=-0.12,f=-1) USER MOD Single : A 84 HIS : no HD1:sc= -0.723 K(o=-0.72,f=-6.4!) USER MOD Single : A 86 THR OG1 : rot 100:sc= -1.2 USER MOD Single : A 88 SER OG : rot 180:sc= 0.00757 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= -0.435 (180deg=-0.728!) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.386 -4.996 -4.053 1.00 0.00 N ATOM 37 CA ARG A 3 -16.490 -4.467 -5.083 1.00 0.00 C ATOM 38 C ARG A 3 -15.046 -4.854 -4.770 1.00 0.00 C ATOM 39 O ARG A 3 -14.588 -4.677 -3.643 1.00 0.00 O ATOM 40 CB ARG A 3 -16.654 -2.939 -5.173 1.00 0.00 C ATOM 41 CG ARG A 3 -15.529 -2.194 -5.916 1.00 0.00 C ATOM 42 CD ARG A 3 -15.936 -0.760 -6.247 1.00 0.00 C ATOM 43 NE ARG A 3 -16.459 -0.053 -5.072 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.888 1.211 -5.090 1.00 0.00 C ATOM 45 NH1 ARG A 3 -16.864 1.913 -6.215 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.340 1.776 -3.978 1.00 0.00 N ATOM 0 HA ARG A 3 -16.748 -4.897 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.600 -2.721 -5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.725 -2.538 -4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.628 -2.186 -5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.283 -2.726 -6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.075 -0.220 -6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.693 -0.770 -7.031 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.497 -0.559 -4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.516 1.488 -7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.193 2.878 -6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.360 1.245 -3.108 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.667 2.742 -3.993 1.00 0.00 H new ATOM 60 N THR A 4 -14.343 -5.388 -5.771 1.00 0.00 N ATOM 61 CA THR A 4 -12.986 -5.899 -5.583 1.00 0.00 C ATOM 62 C THR A 4 -11.972 -4.753 -5.509 1.00 0.00 C ATOM 63 O THR A 4 -11.842 -3.979 -6.463 1.00 0.00 O ATOM 64 CB THR A 4 -12.573 -6.848 -6.736 1.00 0.00 C ATOM 65 OG1 THR A 4 -12.509 -6.124 -7.972 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.553 -7.998 -6.893 1.00 0.00 C ATOM 0 H THR A 4 -14.694 -5.477 -6.724 1.00 0.00 H new ATOM 0 HA THR A 4 -12.986 -6.452 -4.644 1.00 0.00 H new ATOM 0 HB THR A 4 -11.593 -7.255 -6.486 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.376 -5.171 -7.786 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.230 -8.642 -7.711 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.588 -8.575 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.545 -7.603 -7.112 1.00 0.00 H new ATOM 74 N PRO A 5 -11.253 -4.612 -4.384 1.00 0.00 N ATOM 75 CA PRO A 5 -10.206 -3.599 -4.252 1.00 0.00 C ATOM 76 C PRO A 5 -8.975 -3.931 -5.089 1.00 0.00 C ATOM 77 O PRO A 5 -8.529 -5.081 -5.134 1.00 0.00 O ATOM 78 CB PRO A 5 -9.859 -3.594 -2.757 1.00 0.00 C ATOM 79 CG PRO A 5 -10.869 -4.473 -2.088 1.00 0.00 C ATOM 80 CD PRO A 5 -11.419 -5.389 -3.151 1.00 0.00 C ATOM 0 HA PRO A 5 -10.546 -2.628 -4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.848 -3.967 -2.591 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.896 -2.582 -2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.410 -5.047 -1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.665 -3.877 -1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.872 -6.331 -3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.465 -5.635 -2.968 1.00 0.00 H new ATOM 88 N LYS A 6 -8.436 -2.921 -5.757 1.00 0.00 N ATOM 89 CA LYS A 6 -7.260 -3.095 -6.599 1.00 0.00 C ATOM 90 C LYS A 6 -6.036 -2.508 -5.905 1.00 0.00 C ATOM 91 O LYS A 6 -6.159 -1.607 -5.072 1.00 0.00 O ATOM 92 CB LYS A 6 -7.474 -2.414 -7.961 1.00 0.00 C ATOM 93 CG LYS A 6 -6.307 -2.567 -8.925 1.00 0.00 C ATOM 94 CD LYS A 6 -6.510 -1.761 -10.201 1.00 0.00 C ATOM 95 CE LYS A 6 -5.311 -1.891 -11.129 1.00 0.00 C ATOM 96 NZ LYS A 6 -5.413 -1.003 -12.319 1.00 0.00 N ATOM 0 H LYS A 6 -8.797 -1.967 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.099 -4.160 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.370 -2.827 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.660 -1.352 -7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.388 -2.245 -8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.181 -3.620 -9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.409 -2.105 -10.713 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.668 -0.712 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.401 -1.652 -10.578 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.221 -2.926 -11.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.573 -1.129 -12.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.266 -1.247 -12.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.472 -0.012 -12.009 1.00 0.00 H new ATOM 110 N ILE A 7 -4.861 -3.017 -6.254 1.00 0.00 N ATOM 111 CA ILE A 7 -3.632 -2.618 -5.586 1.00 0.00 C ATOM 112 C ILE A 7 -2.837 -1.663 -6.456 1.00 0.00 C ATOM 113 O ILE A 7 -2.670 -1.895 -7.658 1.00 0.00 O ATOM 114 CB ILE A 7 -2.726 -3.824 -5.272 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.558 -5.068 -4.967 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.804 -3.495 -4.105 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.531 -4.883 -3.834 1.00 0.00 C ATOM 0 H ILE A 7 -4.735 -3.706 -6.995 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.932 -2.138 -4.655 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.118 -4.037 -6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.108 -5.355 -5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.887 -5.893 -4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.168 -4.354 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.182 -2.638 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.402 -3.258 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.086 -5.808 -3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.987 -4.627 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.226 -4.080 -4.079 1.00 0.00 H new ATOM 129 N GLN A 8 -2.353 -0.592 -5.852 1.00 0.00 N ATOM 130 CA GLN A 8 -1.470 0.339 -6.551 1.00 0.00 C ATOM 131 C GLN A 8 -0.380 0.807 -5.572 1.00 0.00 C ATOM 132 O GLN A 8 -0.674 1.424 -4.544 1.00 0.00 O ATOM 133 CB GLN A 8 -2.277 1.555 -7.114 1.00 0.00 C ATOM 134 CG GLN A 8 -3.778 1.370 -6.977 1.00 0.00 C ATOM 135 CD GLN A 8 -4.566 2.554 -7.495 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.870 3.494 -6.757 1.00 0.00 O ATOM 137 NE2 GLN A 8 -4.897 2.518 -8.775 1.00 0.00 N ATOM 0 H GLN A 8 -2.552 -0.342 -4.883 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.007 -0.162 -7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.976 2.461 -6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.026 1.698 -8.165 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.080 0.474 -7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.025 1.206 -5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.625 1.721 -9.350 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.424 3.288 -9.187 1.00 0.00 H new ATOM 146 N VAL A 9 0.869 0.491 -5.897 1.00 0.00 N ATOM 147 CA VAL A 9 2.011 0.767 -5.030 1.00 0.00 C ATOM 148 C VAL A 9 3.064 1.573 -5.784 1.00 0.00 C ATOM 149 O VAL A 9 3.409 1.243 -6.920 1.00 0.00 O ATOM 150 CB VAL A 9 2.676 -0.542 -4.533 1.00 0.00 C ATOM 151 CG1 VAL A 9 3.647 -0.273 -3.387 1.00 0.00 C ATOM 152 CG2 VAL A 9 1.637 -1.572 -4.131 1.00 0.00 C ATOM 0 H VAL A 9 1.120 0.034 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 9 1.635 1.330 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 9 3.248 -0.951 -5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.096 -1.212 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.430 0.406 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.110 0.180 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.137 -2.478 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.019 -1.171 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.008 -1.808 -4.989 1.00 0.00 H new ATOM 162 N TYR A 10 3.572 2.621 -5.154 1.00 0.00 N ATOM 163 CA TYR A 10 4.619 3.438 -5.752 1.00 0.00 C ATOM 164 C TYR A 10 5.331 4.287 -4.706 1.00 0.00 C ATOM 165 O TYR A 10 4.860 4.448 -3.580 1.00 0.00 O ATOM 166 CB TYR A 10 4.058 4.332 -6.874 1.00 0.00 C ATOM 167 CG TYR A 10 2.777 5.068 -6.535 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.567 4.633 -7.051 1.00 0.00 C ATOM 169 CD2 TYR A 10 2.775 6.199 -5.725 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.389 5.298 -6.779 1.00 0.00 C ATOM 171 CE2 TYR A 10 1.598 6.870 -5.441 1.00 0.00 C ATOM 172 CZ TYR A 10 0.408 6.415 -5.974 1.00 0.00 C ATOM 173 OH TYR A 10 -0.768 7.084 -5.706 1.00 0.00 O ATOM 0 H TYR A 10 3.276 2.927 -4.227 1.00 0.00 H new ATOM 0 HA TYR A 10 5.348 2.755 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.818 5.065 -7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.881 3.714 -7.754 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.545 3.755 -7.679 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.706 6.559 -5.312 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.543 4.944 -7.195 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.610 7.744 -4.807 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.034 6.920 -4.777 1.00 0.00 H new ATOM 183 N SER A 11 6.489 4.797 -5.094 1.00 0.00 N ATOM 184 CA SER A 11 7.291 5.668 -4.253 1.00 0.00 C ATOM 185 C SER A 11 6.721 7.084 -4.268 1.00 0.00 C ATOM 186 O SER A 11 6.434 7.627 -5.337 1.00 0.00 O ATOM 187 CB SER A 11 8.727 5.666 -4.805 1.00 0.00 C ATOM 188 OG SER A 11 8.709 5.589 -6.224 1.00 0.00 O ATOM 0 H SER A 11 6.901 4.616 -6.009 1.00 0.00 H new ATOM 0 HA SER A 11 7.283 5.313 -3.222 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.247 6.571 -4.490 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.280 4.821 -4.395 1.00 0.00 H new ATOM 0 HG SER A 11 9.628 5.590 -6.563 1.00 0.00 H new ATOM 194 N ARG A 12 6.559 7.672 -3.078 1.00 0.00 N ATOM 195 CA ARG A 12 5.989 9.024 -2.962 1.00 0.00 C ATOM 196 C ARG A 12 6.904 10.041 -3.648 1.00 0.00 C ATOM 197 O ARG A 12 6.438 10.955 -4.324 1.00 0.00 O ATOM 198 CB ARG A 12 5.779 9.386 -1.469 1.00 0.00 C ATOM 199 CG ARG A 12 4.999 10.678 -1.181 1.00 0.00 C ATOM 200 CD ARG A 12 5.854 11.922 -1.373 1.00 0.00 C ATOM 201 NE ARG A 12 6.984 11.964 -0.442 1.00 0.00 N ATOM 202 CZ ARG A 12 7.142 12.900 0.496 1.00 0.00 C ATOM 203 NH1 ARG A 12 6.254 13.877 0.625 1.00 0.00 N ATOM 204 NH2 ARG A 12 8.199 12.873 1.295 1.00 0.00 N ATOM 0 H ARG A 12 6.811 7.241 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 12 5.019 9.047 -3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.258 8.558 -0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.758 9.466 -0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.132 10.731 -1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.623 10.653 -0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.227 11.950 -2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.237 12.810 -1.234 1.00 0.00 H new ATOM 0 HE ARG A 12 7.693 11.234 -0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.445 13.916 0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.380 14.589 1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.896 12.135 1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.316 13.590 2.011 1.00 0.00 H new ATOM 218 N HIS A 13 8.204 9.875 -3.451 1.00 0.00 N ATOM 219 CA HIS A 13 9.207 10.688 -4.137 1.00 0.00 C ATOM 220 C HIS A 13 10.259 9.763 -4.766 1.00 0.00 C ATOM 221 O HIS A 13 10.165 8.550 -4.576 1.00 0.00 O ATOM 222 CB HIS A 13 9.859 11.679 -3.160 1.00 0.00 C ATOM 223 CG HIS A 13 9.122 12.982 -3.014 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.427 13.858 -1.999 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.126 13.513 -3.771 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.618 14.893 -2.161 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.815 14.728 -3.218 1.00 0.00 N ATOM 0 H HIS A 13 8.595 9.179 -2.816 1.00 0.00 H new ATOM 0 HA HIS A 13 8.728 11.270 -4.924 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.936 11.207 -2.180 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.875 11.886 -3.495 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.668 13.064 -4.640 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.608 15.762 -1.520 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.106 15.382 -3.549 1.00 0.00 H new ATOM 235 N PRO A 14 11.271 10.285 -5.520 1.00 0.00 N ATOM 236 CA PRO A 14 12.295 9.431 -6.145 1.00 0.00 C ATOM 237 C PRO A 14 12.939 8.472 -5.145 1.00 0.00 C ATOM 238 O PRO A 14 13.281 8.861 -4.027 1.00 0.00 O ATOM 239 CB PRO A 14 13.348 10.415 -6.685 1.00 0.00 C ATOM 240 CG PRO A 14 12.987 11.763 -6.115 1.00 0.00 C ATOM 241 CD PRO A 14 11.504 11.709 -5.832 1.00 0.00 C ATOM 0 HA PRO A 14 11.858 8.801 -6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.352 10.119 -6.380 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.339 10.437 -7.775 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.551 11.966 -5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.221 12.561 -6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.230 12.354 -4.997 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.918 12.034 -6.692 1.00 0.00 H new ATOM 249 N ALA A 15 13.096 7.224 -5.556 1.00 0.00 N ATOM 250 CA ALA A 15 13.640 6.197 -4.693 1.00 0.00 C ATOM 251 C ALA A 15 15.139 6.079 -4.886 1.00 0.00 C ATOM 252 O ALA A 15 15.627 6.029 -6.016 1.00 0.00 O ATOM 253 CB ALA A 15 12.974 4.866 -4.980 1.00 0.00 C ATOM 0 H ALA A 15 12.851 6.899 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 15 13.443 6.476 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.391 4.101 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.902 4.950 -4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.149 4.588 -6.019 1.00 0.00 H new ATOM 259 N GLU A 16 15.869 6.041 -3.790 1.00 0.00 N ATOM 260 CA GLU A 16 17.307 5.926 -3.851 1.00 0.00 C ATOM 261 C GLU A 16 17.799 4.834 -2.903 1.00 0.00 C ATOM 262 O GLU A 16 17.417 4.788 -1.734 1.00 0.00 O ATOM 263 CB GLU A 16 17.946 7.266 -3.501 1.00 0.00 C ATOM 264 CG GLU A 16 19.436 7.312 -3.784 1.00 0.00 C ATOM 265 CD GLU A 16 19.749 7.093 -5.248 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.490 8.008 -6.056 1.00 0.00 O ATOM 267 OE2 GLU A 16 20.266 6.010 -5.595 1.00 0.00 O ATOM 0 H GLU A 16 15.487 6.088 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 16 17.597 5.650 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.451 8.055 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.777 7.477 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.834 8.277 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.940 6.551 -3.189 1.00 0.00 H new ATOM 274 N ASN A 17 18.640 3.956 -3.427 1.00 0.00 N ATOM 275 CA ASN A 17 19.199 2.850 -2.654 1.00 0.00 C ATOM 276 C ASN A 17 20.293 3.352 -1.715 1.00 0.00 C ATOM 277 O ASN A 17 21.238 4.024 -2.134 1.00 0.00 O ATOM 278 CB ASN A 17 19.713 1.758 -3.613 1.00 0.00 C ATOM 279 CG ASN A 17 20.839 0.892 -3.059 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.906 0.598 -1.867 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.739 0.474 -3.939 1.00 0.00 N ATOM 0 H ASN A 17 18.955 3.987 -4.396 1.00 0.00 H new ATOM 0 HA ASN A 17 18.422 2.410 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.878 1.112 -3.885 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.059 2.235 -4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.517 -0.110 -3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.653 0.737 -4.921 1.00 0.00 H new ATOM 288 N GLY A 18 20.136 3.035 -0.438 1.00 0.00 N ATOM 289 CA GLY A 18 21.045 3.520 0.576 1.00 0.00 C ATOM 290 C GLY A 18 20.631 4.896 1.039 1.00 0.00 C ATOM 291 O GLY A 18 21.418 5.638 1.625 1.00 0.00 O ATOM 0 H GLY A 18 19.385 2.443 -0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 18 21.056 2.833 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 18 22.059 3.553 0.178 1.00 0.00 H new ATOM 295 N LYS A 19 19.379 5.221 0.770 1.00 0.00 N ATOM 296 CA LYS A 19 18.844 6.540 1.041 1.00 0.00 C ATOM 297 C LYS A 19 17.434 6.409 1.584 1.00 0.00 C ATOM 298 O LYS A 19 16.710 5.477 1.236 1.00 0.00 O ATOM 299 CB LYS A 19 18.836 7.345 -0.257 1.00 0.00 C ATOM 300 CG LYS A 19 18.750 8.853 -0.077 1.00 0.00 C ATOM 301 CD LYS A 19 20.017 9.415 0.549 1.00 0.00 C ATOM 302 CE LYS A 19 19.951 10.927 0.711 1.00 0.00 C ATOM 303 NZ LYS A 19 19.800 11.622 -0.594 1.00 0.00 N ATOM 0 H LYS A 19 18.705 4.576 0.357 1.00 0.00 H new ATOM 0 HA LYS A 19 19.460 7.052 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.742 7.112 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.992 7.018 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.580 9.326 -1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.894 9.097 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.176 8.953 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.874 9.154 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.113 11.186 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.856 11.278 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.979 12.639 -0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.482 11.232 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.834 11.482 -0.952 1.00 0.00 H new ATOM 317 N SER A 20 17.063 7.328 2.453 1.00 0.00 N ATOM 318 CA SER A 20 15.740 7.335 3.034 1.00 0.00 C ATOM 319 C SER A 20 14.700 7.711 1.988 1.00 0.00 C ATOM 320 O SER A 20 14.913 8.613 1.179 1.00 0.00 O ATOM 321 CB SER A 20 15.707 8.312 4.199 1.00 0.00 C ATOM 322 OG SER A 20 16.594 7.900 5.228 1.00 0.00 O ATOM 0 H SER A 20 17.667 8.085 2.773 1.00 0.00 H new ATOM 0 HA SER A 20 15.502 6.336 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.983 9.308 3.852 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.693 8.381 4.593 1.00 0.00 H new ATOM 0 HG SER A 20 16.559 8.543 5.967 1.00 0.00 H new ATOM 328 N ASN A 21 13.584 7.009 2.011 1.00 0.00 N ATOM 329 CA ASN A 21 12.530 7.200 1.029 1.00 0.00 C ATOM 330 C ASN A 21 11.181 7.077 1.723 1.00 0.00 C ATOM 331 O ASN A 21 11.116 6.699 2.895 1.00 0.00 O ATOM 332 CB ASN A 21 12.641 6.136 -0.072 1.00 0.00 C ATOM 333 CG ASN A 21 11.986 6.558 -1.381 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.982 7.853 -1.683 1.00 0.00 O flip ATOM 335 ND2 ASN A 21 11.475 5.721 -2.119 1.00 0.00 N flip ATOM 0 H ASN A 21 13.381 6.292 2.708 1.00 0.00 H new ATOM 0 HA ASN A 21 12.627 8.187 0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.694 5.918 -0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.180 5.212 0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.493 4.734 -1.861 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.032 6.012 -2.990 1.00 0.00 H new ATOM 342 N PHE A 22 10.105 7.382 1.009 1.00 0.00 N ATOM 343 CA PHE A 22 8.769 7.302 1.577 1.00 0.00 C ATOM 344 C PHE A 22 7.875 6.449 0.679 1.00 0.00 C ATOM 345 O PHE A 22 7.716 6.739 -0.511 1.00 0.00 O ATOM 346 CB PHE A 22 8.163 8.702 1.744 1.00 0.00 C ATOM 347 CG PHE A 22 8.768 9.545 2.839 1.00 0.00 C ATOM 348 CD1 PHE A 22 10.103 9.911 2.808 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.983 9.988 3.892 1.00 0.00 C ATOM 350 CE1 PHE A 22 10.645 10.699 3.804 1.00 0.00 C ATOM 351 CE2 PHE A 22 8.518 10.776 4.891 1.00 0.00 C ATOM 352 CZ PHE A 22 9.850 11.131 4.847 1.00 0.00 C ATOM 0 H PHE A 22 10.133 7.687 0.036 1.00 0.00 H new ATOM 0 HA PHE A 22 8.838 6.839 2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.263 9.237 0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.096 8.596 1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.729 9.576 1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.939 9.713 3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.688 10.977 3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.895 11.114 5.706 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.271 11.747 5.628 1.00 0.00 H new ATOM 362 N LEU A 23 7.311 5.392 1.247 1.00 0.00 N ATOM 363 CA LEU A 23 6.465 4.467 0.493 1.00 0.00 C ATOM 364 C LEU A 23 5.041 4.967 0.495 1.00 0.00 C ATOM 365 O LEU A 23 4.624 5.643 1.425 1.00 0.00 O ATOM 366 CB LEU A 23 6.485 3.082 1.139 1.00 0.00 C ATOM 367 CG LEU A 23 6.731 1.869 0.216 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.565 0.572 1.005 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.807 1.864 -0.997 1.00 0.00 C ATOM 0 H LEU A 23 7.423 5.150 2.232 1.00 0.00 H new ATOM 0 HA LEU A 23 6.847 4.405 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.257 3.081 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.531 2.932 1.644 1.00 0.00 H new ATOM 0 HG LEU A 23 7.752 1.947 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.740 -0.279 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.283 0.550 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.553 0.518 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.021 0.991 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.770 1.828 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.969 2.770 -1.582 1.00 0.00 H new ATOM 381 N ASN A 24 4.305 4.616 -0.533 1.00 0.00 N ATOM 382 CA ASN A 24 2.885 4.945 -0.609 1.00 0.00 C ATOM 383 C ASN A 24 2.101 3.750 -1.137 1.00 0.00 C ATOM 384 O ASN A 24 2.410 3.215 -2.203 1.00 0.00 O ATOM 385 CB ASN A 24 2.631 6.176 -1.505 1.00 0.00 C ATOM 386 CG ASN A 24 2.665 7.502 -0.757 1.00 0.00 C ATOM 387 OD1 ASN A 24 3.369 7.664 0.233 1.00 0.00 O ATOM 388 ND2 ASN A 24 1.894 8.467 -1.234 1.00 0.00 N ATOM 0 H ASN A 24 4.661 4.099 -1.337 1.00 0.00 H new ATOM 0 HA ASN A 24 2.547 5.189 0.398 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.380 6.197 -2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.660 6.067 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.874 9.378 -0.775 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.320 8.300 -2.060 1.00 0.00 H new ATOM 395 N CYS A 25 1.096 3.324 -0.383 1.00 0.00 N ATOM 396 CA CYS A 25 0.256 2.209 -0.787 1.00 0.00 C ATOM 397 C CYS A 25 -1.193 2.670 -0.818 1.00 0.00 C ATOM 398 O CYS A 25 -1.729 3.134 0.193 1.00 0.00 O ATOM 399 CB CYS A 25 0.438 1.032 0.171 1.00 0.00 C ATOM 400 SG CYS A 25 -0.050 -0.579 -0.522 1.00 0.00 S ATOM 0 H CYS A 25 0.844 3.737 0.515 1.00 0.00 H new ATOM 0 HA CYS A 25 0.544 1.871 -1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.484 0.983 0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.146 1.219 1.072 1.00 0.00 H new ATOM 405 N TYR A 26 -1.816 2.562 -1.982 1.00 0.00 N ATOM 406 CA TYR A 26 -3.154 3.092 -2.178 1.00 0.00 C ATOM 407 C TYR A 26 -4.101 1.977 -2.582 1.00 0.00 C ATOM 408 O TYR A 26 -3.998 1.438 -3.683 1.00 0.00 O ATOM 409 CB TYR A 26 -3.161 4.173 -3.265 1.00 0.00 C ATOM 410 CG TYR A 26 -2.877 5.596 -2.802 1.00 0.00 C ATOM 411 CD1 TYR A 26 -3.910 6.432 -2.374 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.591 6.130 -2.854 1.00 0.00 C ATOM 413 CE1 TYR A 26 -3.669 7.743 -2.016 1.00 0.00 C ATOM 414 CE2 TYR A 26 -1.345 7.441 -2.487 1.00 0.00 C ATOM 415 CZ TYR A 26 -2.388 8.242 -2.073 1.00 0.00 C ATOM 416 OH TYR A 26 -2.150 9.551 -1.716 1.00 0.00 O ATOM 0 H TYR A 26 -1.415 2.112 -2.805 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.482 3.534 -1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.422 3.905 -4.020 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.135 4.160 -3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.917 6.045 -2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.772 5.510 -3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.483 8.375 -1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.340 7.835 -2.525 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.195 9.747 -1.811 1.00 0.00 H new ATOM 426 N VAL A 27 -5.005 1.618 -1.693 1.00 0.00 N ATOM 427 CA VAL A 27 -6.007 0.621 -2.020 1.00 0.00 C ATOM 428 C VAL A 27 -7.381 1.271 -2.039 1.00 0.00 C ATOM 429 O VAL A 27 -7.773 1.937 -1.079 1.00 0.00 O ATOM 430 CB VAL A 27 -6.014 -0.563 -1.031 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.683 -1.771 -1.665 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.604 -0.910 -0.578 1.00 0.00 C ATOM 0 H VAL A 27 -5.068 1.996 -0.748 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.756 0.221 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.583 -0.267 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.682 -2.600 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.710 -1.521 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.137 -2.060 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.641 -1.748 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.001 -1.184 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.158 -0.047 -0.084 1.00 0.00 H new ATOM 442 N SER A 28 -8.101 1.095 -3.136 1.00 0.00 N ATOM 443 CA SER A 28 -9.411 1.701 -3.290 1.00 0.00 C ATOM 444 C SER A 28 -10.316 0.831 -4.154 1.00 0.00 C ATOM 445 O SER A 28 -9.842 -0.078 -4.841 1.00 0.00 O ATOM 446 CB SER A 28 -9.263 3.103 -3.876 1.00 0.00 C ATOM 447 OG SER A 28 -8.358 3.108 -4.968 1.00 0.00 O ATOM 0 H SER A 28 -7.798 0.536 -3.933 1.00 0.00 H new ATOM 0 HA SER A 28 -9.881 1.782 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.236 3.467 -4.205 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.910 3.787 -3.104 1.00 0.00 H new ATOM 0 HG SER A 28 -8.282 4.017 -5.326 1.00 0.00 H new ATOM 453 N GLY A 29 -11.614 1.115 -4.118 1.00 0.00 N ATOM 454 CA GLY A 29 -12.577 0.274 -4.791 1.00 0.00 C ATOM 455 C GLY A 29 -12.988 -0.871 -3.899 1.00 0.00 C ATOM 456 O GLY A 29 -12.407 -1.937 -3.961 1.00 0.00 O ATOM 0 H GLY A 29 -12.014 1.917 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.453 0.861 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.149 -0.112 -5.716 1.00 0.00 H new ATOM 460 N PHE A 30 -14.036 -0.665 -3.113 1.00 0.00 N ATOM 461 CA PHE A 30 -14.358 -1.600 -2.033 1.00 0.00 C ATOM 462 C PHE A 30 -15.532 -1.080 -1.218 1.00 0.00 C ATOM 463 O PHE A 30 -16.077 -0.016 -1.526 1.00 0.00 O ATOM 464 CB PHE A 30 -13.149 -1.964 -1.154 1.00 0.00 C ATOM 465 CG PHE A 30 -12.465 -0.855 -0.412 1.00 0.00 C ATOM 466 CD1 PHE A 30 -12.847 -0.518 0.874 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.375 -0.214 -0.972 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.151 0.436 1.585 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.688 0.754 -0.272 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.074 1.074 1.010 1.00 0.00 C ATOM 0 H PHE A 30 -14.672 0.128 -3.197 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.653 -2.540 -2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.477 -2.704 -0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.408 -2.450 -1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.698 -1.007 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.058 -0.475 -1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.450 0.683 2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.850 1.260 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.532 1.825 1.565 1.00 0.00 H new ATOM 480 N HIS A 31 -15.922 -1.837 -0.199 1.00 0.00 N ATOM 481 CA HIS A 31 -16.988 -1.430 0.729 1.00 0.00 C ATOM 482 C HIS A 31 -16.744 -2.105 2.082 1.00 0.00 C ATOM 483 O HIS A 31 -15.971 -3.061 2.148 1.00 0.00 O ATOM 484 CB HIS A 31 -18.413 -1.809 0.239 1.00 0.00 C ATOM 485 CG HIS A 31 -18.828 -1.237 -1.087 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.284 0.052 -1.196 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.899 -1.835 -2.301 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.628 0.209 -2.461 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.415 -0.906 -3.175 1.00 0.00 N ATOM 0 H HIS A 31 -15.515 -2.748 0.013 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.951 -0.343 0.800 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.478 -2.895 0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.132 -1.487 0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.606 -2.847 -2.537 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -20.031 1.123 -2.871 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.599 -1.039 -4.169 1.00 0.00 H new ATOM 497 N PRO A 32 -17.364 -1.634 3.188 1.00 0.00 N ATOM 498 CA PRO A 32 -18.177 -0.402 3.235 1.00 0.00 C ATOM 499 C PRO A 32 -17.347 0.843 2.919 1.00 0.00 C ATOM 500 O PRO A 32 -17.535 1.487 1.889 1.00 0.00 O ATOM 501 CB PRO A 32 -18.679 -0.348 4.683 1.00 0.00 C ATOM 502 CG PRO A 32 -18.523 -1.735 5.205 1.00 0.00 C ATOM 503 CD PRO A 32 -17.341 -2.318 4.489 1.00 0.00 C ATOM 0 HA PRO A 32 -18.978 -0.418 2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.100 0.362 5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.719 -0.026 4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.362 -1.730 6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.421 -2.325 5.019 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.412 -2.129 5.026 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.431 -3.399 4.377 1.00 0.00 H new ATOM 511 N SER A 33 -16.431 1.179 3.816 1.00 0.00 N ATOM 512 CA SER A 33 -15.469 2.243 3.593 1.00 0.00 C ATOM 513 C SER A 33 -14.174 1.854 4.298 1.00 0.00 C ATOM 514 O SER A 33 -13.377 2.699 4.704 1.00 0.00 O ATOM 515 CB SER A 33 -16.003 3.571 4.134 1.00 0.00 C ATOM 516 OG SER A 33 -17.195 3.944 3.462 1.00 0.00 O ATOM 0 H SER A 33 -16.336 0.718 4.721 1.00 0.00 H new ATOM 0 HA SER A 33 -15.290 2.375 2.526 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.195 3.483 5.203 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.250 4.349 4.009 1.00 0.00 H new ATOM 0 HG SER A 33 -17.522 4.795 3.823 1.00 0.00 H new ATOM 522 N ASP A 34 -13.998 0.544 4.441 1.00 0.00 N ATOM 523 CA ASP A 34 -12.920 -0.010 5.250 1.00 0.00 C ATOM 524 C ASP A 34 -12.217 -1.154 4.529 1.00 0.00 C ATOM 525 O ASP A 34 -12.865 -2.015 3.935 1.00 0.00 O ATOM 526 CB ASP A 34 -13.468 -0.531 6.585 1.00 0.00 C ATOM 527 CG ASP A 34 -14.255 0.507 7.356 1.00 0.00 C ATOM 528 OD1 ASP A 34 -13.641 1.282 8.121 1.00 0.00 O ATOM 529 OD2 ASP A 34 -15.497 0.540 7.216 1.00 0.00 O ATOM 0 H ASP A 34 -14.594 -0.158 4.003 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.203 0.791 5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.106 -1.394 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.638 -0.878 7.200 1.00 0.00 H new ATOM 534 N ILE A 35 -10.895 -1.136 4.575 1.00 0.00 N ATOM 535 CA ILE A 35 -10.079 -2.241 4.087 1.00 0.00 C ATOM 536 C ILE A 35 -8.811 -2.312 4.926 1.00 0.00 C ATOM 537 O ILE A 35 -8.412 -1.311 5.527 1.00 0.00 O ATOM 538 CB ILE A 35 -9.689 -2.092 2.592 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.242 -3.450 2.038 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.572 -1.068 2.426 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.367 -3.381 0.798 1.00 0.00 C ATOM 0 H ILE A 35 -10.355 -0.356 4.951 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.671 -3.152 4.174 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.560 -1.743 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.699 -3.983 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.128 -4.041 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.314 -0.979 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.907 -0.101 2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.696 -1.391 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.103 -4.390 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.911 -2.881 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.459 -2.822 1.024 1.00 0.00 H new ATOM 553 N GLU A 36 -8.196 -3.481 5.006 1.00 0.00 N ATOM 554 CA GLU A 36 -6.933 -3.615 5.710 1.00 0.00 C ATOM 555 C GLU A 36 -5.839 -3.965 4.721 1.00 0.00 C ATOM 556 O GLU A 36 -5.939 -4.949 3.980 1.00 0.00 O ATOM 557 CB GLU A 36 -6.997 -4.705 6.777 1.00 0.00 C ATOM 558 CG GLU A 36 -5.814 -4.686 7.749 1.00 0.00 C ATOM 559 CD GLU A 36 -5.824 -3.492 8.680 1.00 0.00 C ATOM 560 OE1 GLU A 36 -5.524 -3.676 9.879 1.00 0.00 O ATOM 561 OE2 GLU A 36 -6.128 -2.371 8.227 1.00 0.00 O ATOM 0 H GLU A 36 -8.549 -4.345 4.595 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.721 -2.664 6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.922 -4.593 7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.038 -5.678 6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.825 -5.601 8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.885 -4.686 7.180 1.00 0.00 H new ATOM 568 N VAL A 37 -4.803 -3.160 4.714 1.00 0.00 N ATOM 569 CA VAL A 37 -3.669 -3.387 3.842 1.00 0.00 C ATOM 570 C VAL A 37 -2.379 -3.255 4.637 1.00 0.00 C ATOM 571 O VAL A 37 -2.214 -2.342 5.443 1.00 0.00 O ATOM 572 CB VAL A 37 -3.684 -2.456 2.591 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.724 -1.371 2.759 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.312 -1.854 2.274 1.00 0.00 C ATOM 0 H VAL A 37 -4.720 -2.334 5.307 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.736 -4.403 3.452 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.948 -3.078 1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.724 -0.728 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.708 -1.825 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.490 -0.777 3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.389 -1.216 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.970 -1.261 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.599 -2.655 2.080 1.00 0.00 H new ATOM 584 N ASP A 38 -1.500 -4.204 4.417 1.00 0.00 N ATOM 585 CA ASP A 38 -0.270 -4.300 5.176 1.00 0.00 C ATOM 586 C ASP A 38 0.916 -4.297 4.229 1.00 0.00 C ATOM 587 O ASP A 38 0.825 -4.788 3.110 1.00 0.00 O ATOM 588 CB ASP A 38 -0.312 -5.550 6.075 1.00 0.00 C ATOM 589 CG ASP A 38 0.623 -6.668 5.662 1.00 0.00 C ATOM 590 OD1 ASP A 38 0.114 -7.710 5.196 1.00 0.00 O ATOM 591 OD2 ASP A 38 1.841 -6.528 5.843 1.00 0.00 O ATOM 0 H ASP A 38 -1.614 -4.930 3.710 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.160 -3.436 5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.070 -5.253 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.331 -5.936 6.088 1.00 0.00 H new ATOM 596 N LEU A 39 2.010 -3.703 4.660 1.00 0.00 N ATOM 597 CA LEU A 39 3.177 -3.571 3.810 1.00 0.00 C ATOM 598 C LEU A 39 4.185 -4.652 4.156 1.00 0.00 C ATOM 599 O LEU A 39 4.383 -4.973 5.322 1.00 0.00 O ATOM 600 CB LEU A 39 3.826 -2.199 3.978 1.00 0.00 C ATOM 601 CG LEU A 39 2.897 -0.991 3.860 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.699 0.290 3.998 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.132 -0.997 2.549 1.00 0.00 C ATOM 0 H LEU A 39 2.116 -3.304 5.593 1.00 0.00 H new ATOM 0 HA LEU A 39 2.858 -3.678 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.308 -2.166 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.613 -2.099 3.231 1.00 0.00 H new ATOM 0 HG LEU A 39 2.165 -1.049 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.032 1.148 3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.191 0.308 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.451 0.335 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.483 -0.123 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.836 -0.971 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.528 -1.902 2.485 1.00 0.00 H new ATOM 615 N LEU A 40 4.821 -5.199 3.141 1.00 0.00 N ATOM 616 CA LEU A 40 5.740 -6.301 3.323 1.00 0.00 C ATOM 617 C LEU A 40 7.168 -5.926 2.985 1.00 0.00 C ATOM 618 O LEU A 40 7.463 -4.836 2.496 1.00 0.00 O ATOM 619 CB LEU A 40 5.358 -7.504 2.467 1.00 0.00 C ATOM 620 CG LEU A 40 3.870 -7.826 2.381 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.636 -8.941 1.377 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.338 -8.220 3.746 1.00 0.00 C ATOM 0 H LEU A 40 4.716 -4.894 2.173 1.00 0.00 H new ATOM 0 HA LEU A 40 5.674 -6.557 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.731 -7.337 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.876 -8.380 2.857 1.00 0.00 H new ATOM 0 HG LEU A 40 3.335 -6.937 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.570 -9.164 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.992 -8.627 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.178 -9.833 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.275 -8.447 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.872 -9.100 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.484 -7.397 4.445 1.00 0.00 H new ATOM 634 N LYS A 41 8.019 -6.905 3.217 1.00 0.00 N ATOM 635 CA LYS A 41 9.435 -6.826 2.953 1.00 0.00 C ATOM 636 C LYS A 41 9.918 -8.198 2.571 1.00 0.00 C ATOM 637 O LYS A 41 10.111 -9.060 3.427 1.00 0.00 O ATOM 638 CB LYS A 41 10.208 -6.317 4.149 1.00 0.00 C ATOM 639 CG LYS A 41 9.738 -4.938 4.590 1.00 0.00 C ATOM 640 CD LYS A 41 10.661 -4.310 5.644 1.00 0.00 C ATOM 641 CE LYS A 41 10.487 -4.984 6.990 1.00 0.00 C ATOM 642 NZ LYS A 41 11.275 -4.304 8.052 1.00 0.00 N ATOM 0 H LYS A 41 7.732 -7.803 3.606 1.00 0.00 H new ATOM 0 HA LYS A 41 9.603 -6.116 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.099 -7.018 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.269 -6.277 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.684 -4.281 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.729 -5.014 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.699 -4.396 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.443 -3.246 5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.432 -4.984 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.797 -6.026 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.131 -4.793 8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.285 -4.326 7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.961 -3.316 8.138 1.00 0.00 H new ATOM 656 N ASN A 42 10.043 -8.394 1.274 1.00 0.00 N ATOM 657 CA ASN A 42 10.406 -9.686 0.678 1.00 0.00 C ATOM 658 C ASN A 42 9.286 -10.720 0.873 1.00 0.00 C ATOM 659 O ASN A 42 9.207 -11.714 0.154 1.00 0.00 O ATOM 660 CB ASN A 42 11.732 -10.213 1.267 1.00 0.00 C ATOM 661 CG ASN A 42 12.878 -9.226 1.112 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.150 -8.419 2.005 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.556 -9.269 -0.021 1.00 0.00 N ATOM 0 H ASN A 42 9.895 -7.656 0.585 1.00 0.00 H new ATOM 0 HA ASN A 42 10.543 -9.529 -0.392 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.591 -10.436 2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.996 -11.150 0.776 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.330 -8.623 -0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.306 -9.948 -0.740 1.00 0.00 H new ATOM 670 N GLY A 43 8.419 -10.461 1.844 1.00 0.00 N ATOM 671 CA GLY A 43 7.324 -11.355 2.161 1.00 0.00 C ATOM 672 C GLY A 43 6.912 -11.233 3.618 1.00 0.00 C ATOM 673 O GLY A 43 5.927 -11.833 4.045 1.00 0.00 O ATOM 0 H GLY A 43 8.459 -9.627 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.471 -11.130 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.619 -12.383 1.950 1.00 0.00 H new ATOM 677 N GLU A 44 7.672 -10.449 4.377 1.00 0.00 N ATOM 678 CA GLU A 44 7.451 -10.280 5.808 1.00 0.00 C ATOM 679 C GLU A 44 6.701 -8.980 6.074 1.00 0.00 C ATOM 680 O GLU A 44 6.962 -7.981 5.418 1.00 0.00 O ATOM 681 CB GLU A 44 8.806 -10.235 6.508 1.00 0.00 C ATOM 682 CG GLU A 44 9.712 -11.398 6.160 1.00 0.00 C ATOM 683 CD GLU A 44 11.105 -11.245 6.737 1.00 0.00 C ATOM 684 OE1 GLU A 44 11.867 -10.394 6.242 1.00 0.00 O ATOM 685 OE2 GLU A 44 11.454 -11.983 7.680 1.00 0.00 O ATOM 0 H GLU A 44 8.460 -9.912 4.015 1.00 0.00 H new ATOM 0 HA GLU A 44 6.857 -11.112 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.309 -9.304 6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.647 -10.220 7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.269 -12.322 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.780 -11.489 5.076 1.00 0.00 H new ATOM 692 N ARG A 45 5.782 -8.992 7.029 1.00 0.00 N ATOM 693 CA ARG A 45 4.994 -7.806 7.343 1.00 0.00 C ATOM 694 C ARG A 45 5.844 -6.717 7.999 1.00 0.00 C ATOM 695 O ARG A 45 6.709 -7.001 8.832 1.00 0.00 O ATOM 696 CB ARG A 45 3.834 -8.180 8.270 1.00 0.00 C ATOM 697 CG ARG A 45 2.911 -7.003 8.590 1.00 0.00 C ATOM 698 CD ARG A 45 1.637 -7.413 9.326 1.00 0.00 C ATOM 699 NE ARG A 45 0.942 -6.249 9.876 1.00 0.00 N ATOM 700 CZ ARG A 45 -0.380 -6.160 10.029 1.00 0.00 C ATOM 701 NH1 ARG A 45 -1.171 -7.170 9.685 1.00 0.00 N ATOM 702 NH2 ARG A 45 -0.914 -5.054 10.529 1.00 0.00 N ATOM 0 H ARG A 45 5.563 -9.808 7.600 1.00 0.00 H new ATOM 0 HA ARG A 45 4.606 -7.410 6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.250 -8.975 7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.236 -8.581 9.200 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.455 -6.279 9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.640 -6.501 7.661 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.975 -7.945 8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.886 -8.104 10.131 1.00 0.00 H new ATOM 0 HE ARG A 45 1.508 -5.450 10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.769 -8.024 9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.181 -7.091 9.806 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.314 -4.273 10.796 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.925 -4.984 10.647 1.00 0.00 H new ATOM 716 N ILE A 46 5.585 -5.475 7.614 1.00 0.00 N ATOM 717 CA ILE A 46 6.223 -4.321 8.213 1.00 0.00 C ATOM 718 C ILE A 46 5.368 -3.832 9.364 1.00 0.00 C ATOM 719 O ILE A 46 4.144 -3.776 9.258 1.00 0.00 O ATOM 720 CB ILE A 46 6.376 -3.154 7.217 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.168 -3.563 5.982 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.054 -1.970 7.899 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.203 -2.478 4.923 1.00 0.00 C ATOM 0 H ILE A 46 4.923 -5.243 6.874 1.00 0.00 H new ATOM 0 HA ILE A 46 7.215 -4.631 8.541 1.00 0.00 H new ATOM 0 HB ILE A 46 5.377 -2.866 6.891 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.188 -3.812 6.275 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.730 -4.466 5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.158 -1.151 7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.449 -1.642 8.744 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.040 -2.270 8.253 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.781 -2.824 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.186 -2.246 4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.667 -1.582 5.335 1.00 0.00 H new ATOM 735 N GLU A 47 6.003 -3.475 10.454 1.00 0.00 N ATOM 736 CA GLU A 47 5.289 -3.016 11.630 1.00 0.00 C ATOM 737 C GLU A 47 5.266 -1.485 11.727 1.00 0.00 C ATOM 738 O GLU A 47 4.293 -0.911 12.210 1.00 0.00 O ATOM 739 CB GLU A 47 5.881 -3.640 12.909 1.00 0.00 C ATOM 740 CG GLU A 47 7.404 -3.712 12.970 1.00 0.00 C ATOM 741 CD GLU A 47 8.031 -4.734 12.040 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.413 -4.358 10.910 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.175 -5.904 12.446 1.00 0.00 O ATOM 0 H GLU A 47 7.018 -3.492 10.555 1.00 0.00 H new ATOM 0 HA GLU A 47 4.255 -3.348 11.531 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.529 -3.067 13.767 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.484 -4.650 13.015 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.810 -2.729 12.733 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.702 -3.942 13.993 1.00 0.00 H new ATOM 750 N LYS A 48 6.341 -0.826 11.283 1.00 0.00 N ATOM 751 CA LYS A 48 6.410 0.639 11.244 1.00 0.00 C ATOM 752 C LYS A 48 5.400 1.275 10.283 1.00 0.00 C ATOM 753 O LYS A 48 5.425 2.487 10.070 1.00 0.00 O ATOM 754 CB LYS A 48 7.817 1.067 10.833 1.00 0.00 C ATOM 755 CG LYS A 48 8.899 0.519 11.738 1.00 0.00 C ATOM 756 CD LYS A 48 9.452 1.591 12.662 1.00 0.00 C ATOM 757 CE LYS A 48 10.394 1.027 13.725 1.00 0.00 C ATOM 758 NZ LYS A 48 10.752 2.053 14.741 1.00 0.00 N ATOM 0 H LYS A 48 7.183 -1.289 10.942 1.00 0.00 H new ATOM 0 HA LYS A 48 6.162 0.988 12.246 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.006 0.736 9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.872 2.156 10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.496 -0.302 12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.707 0.108 11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.984 2.336 12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.625 2.105 13.152 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.921 0.177 14.217 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.301 0.655 13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.392 1.635 15.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.226 2.853 14.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.889 2.390 15.214 1.00 0.00 H new ATOM 772 N VAL A 49 4.542 0.468 9.686 1.00 0.00 N ATOM 773 CA VAL A 49 3.519 0.978 8.781 1.00 0.00 C ATOM 774 C VAL A 49 2.496 1.836 9.517 1.00 0.00 C ATOM 775 O VAL A 49 2.050 1.487 10.610 1.00 0.00 O ATOM 776 CB VAL A 49 2.778 -0.164 8.077 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.745 0.393 7.112 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.766 -1.059 7.360 1.00 0.00 C ATOM 0 H VAL A 49 4.530 -0.544 9.809 1.00 0.00 H new ATOM 0 HA VAL A 49 4.038 1.588 8.042 1.00 0.00 H new ATOM 0 HB VAL A 49 2.254 -0.762 8.823 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.227 -0.430 6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.024 0.999 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.242 1.009 6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.230 -1.868 6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.313 -0.477 6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.467 -1.478 8.082 1.00 0.00 H new ATOM 788 N GLU A 50 2.124 2.952 8.907 1.00 0.00 N ATOM 789 CA GLU A 50 1.130 3.839 9.481 1.00 0.00 C ATOM 790 C GLU A 50 0.147 4.302 8.412 1.00 0.00 C ATOM 791 O GLU A 50 0.507 4.471 7.244 1.00 0.00 O ATOM 792 CB GLU A 50 1.797 5.049 10.136 1.00 0.00 C ATOM 793 CG GLU A 50 2.783 4.683 11.232 1.00 0.00 C ATOM 794 CD GLU A 50 3.523 5.885 11.767 1.00 0.00 C ATOM 795 OE1 GLU A 50 2.919 6.667 12.533 1.00 0.00 O ATOM 796 OE2 GLU A 50 4.717 6.049 11.433 1.00 0.00 O ATOM 0 H GLU A 50 2.499 3.263 8.011 1.00 0.00 H new ATOM 0 HA GLU A 50 0.585 3.286 10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.316 5.626 9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.026 5.696 10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.250 4.195 12.048 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.501 3.961 10.844 1.00 0.00 H new ATOM 803 N HIS A 51 -1.090 4.492 8.824 1.00 0.00 N ATOM 804 CA HIS A 51 -2.128 5.013 7.942 1.00 0.00 C ATOM 805 C HIS A 51 -2.546 6.413 8.383 1.00 0.00 C ATOM 806 O HIS A 51 -2.758 6.665 9.569 1.00 0.00 O ATOM 807 CB HIS A 51 -3.345 4.074 7.871 1.00 0.00 C ATOM 808 CG HIS A 51 -3.961 3.703 9.193 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.161 4.240 9.591 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.535 2.826 10.139 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.441 3.679 10.753 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.487 2.815 11.127 1.00 0.00 N ATOM 0 H HIS A 51 -1.408 4.293 9.772 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.710 5.072 6.937 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.110 4.546 7.255 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.045 3.159 7.361 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.623 2.249 10.118 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.329 3.890 11.331 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.472 2.257 11.981 1.00 0.00 H new ATOM 820 N SER A 52 -2.612 7.335 7.427 1.00 0.00 N ATOM 821 CA SER A 52 -3.002 8.716 7.710 1.00 0.00 C ATOM 822 C SER A 52 -4.509 8.842 7.890 1.00 0.00 C ATOM 823 O SER A 52 -5.239 7.850 7.822 1.00 0.00 O ATOM 824 CB SER A 52 -2.541 9.642 6.574 1.00 0.00 C ATOM 825 OG SER A 52 -1.131 9.714 6.515 1.00 0.00 O ATOM 0 H SER A 52 -2.400 7.152 6.446 1.00 0.00 H new ATOM 0 HA SER A 52 -2.519 9.012 8.641 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.929 9.277 5.623 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.953 10.640 6.725 1.00 0.00 H new ATOM 0 HG SER A 52 -0.864 10.308 5.783 1.00 0.00 H new ATOM 973 N PHE A 62 -13.806 6.626 -2.039 1.00 0.00 N ATOM 974 CA PHE A 62 -13.081 6.689 -0.762 1.00 0.00 C ATOM 975 C PHE A 62 -11.677 6.096 -0.903 1.00 0.00 C ATOM 976 O PHE A 62 -11.442 5.184 -1.698 1.00 0.00 O ATOM 977 CB PHE A 62 -13.845 5.979 0.379 1.00 0.00 C ATOM 978 CG PHE A 62 -15.305 6.364 0.540 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.300 5.576 -0.022 1.00 0.00 C ATOM 980 CD2 PHE A 62 -15.686 7.488 1.269 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.637 5.896 0.133 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.031 7.813 1.424 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.000 7.014 0.855 1.00 0.00 C ATOM 0 HA PHE A 62 -12.998 7.743 -0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.789 4.903 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.330 6.184 1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -16.026 4.699 -0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -14.930 8.114 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.397 5.270 -0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -17.315 8.689 1.989 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.044 7.264 0.975 1.00 0.00 H new ATOM 993 N TYR A 63 -10.734 6.637 -0.145 1.00 0.00 N ATOM 994 CA TYR A 63 -9.348 6.197 -0.230 1.00 0.00 C ATOM 995 C TYR A 63 -8.784 5.968 1.167 1.00 0.00 C ATOM 996 O TYR A 63 -9.154 6.664 2.115 1.00 0.00 O ATOM 997 CB TYR A 63 -8.498 7.251 -0.966 1.00 0.00 C ATOM 998 CG TYR A 63 -9.085 7.714 -2.284 1.00 0.00 C ATOM 999 CD1 TYR A 63 -8.658 7.182 -3.499 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.073 8.686 -2.310 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -9.207 7.613 -4.697 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.621 9.115 -3.497 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.188 8.579 -4.685 1.00 0.00 C ATOM 1004 OH TYR A 63 -10.741 9.015 -5.867 1.00 0.00 O ATOM 0 H TYR A 63 -10.902 7.379 0.534 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.315 5.261 -0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.369 8.116 -0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.506 6.838 -1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.889 6.424 -3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.419 9.115 -1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.868 7.194 -5.633 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.391 9.872 -3.494 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.419 9.697 -5.679 1.00 0.00 H new ATOM 1014 N LEU A 64 -7.899 4.990 1.285 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.181 4.748 2.527 1.00 0.00 C ATOM 1016 C LEU A 64 -5.714 4.485 2.216 1.00 0.00 C ATOM 1017 O LEU A 64 -5.389 3.697 1.326 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.857 3.598 3.299 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.039 2.924 4.398 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.900 2.718 5.634 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.515 1.593 3.897 1.00 0.00 C ATOM 0 H LEU A 64 -7.660 4.347 0.530 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.218 5.624 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.773 3.983 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.151 2.834 2.579 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.196 3.562 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.309 2.237 6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.257 3.683 5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.752 2.086 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.931 1.113 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.353 0.952 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.883 1.756 3.024 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.836 5.171 2.938 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.416 5.159 2.624 1.00 0.00 C ATOM 1035 C LEU A 65 -2.623 4.444 3.712 1.00 0.00 C ATOM 1036 O LEU A 65 -2.761 4.747 4.896 1.00 0.00 O ATOM 1037 CB LEU A 65 -2.909 6.598 2.482 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.764 6.820 1.480 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.416 8.298 1.388 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.529 6.016 1.857 1.00 0.00 C ATOM 0 H LEU A 65 -5.085 5.743 3.745 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.276 4.623 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.748 7.229 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.578 6.943 3.462 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.108 6.473 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.604 8.437 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.290 8.858 1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.104 8.660 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.260 6.197 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.185 6.319 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.776 4.954 1.869 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.787 3.512 3.295 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.874 2.824 4.198 1.00 0.00 C ATOM 1054 C TYR A 66 0.562 3.021 3.731 1.00 0.00 C ATOM 1055 O TYR A 66 0.921 2.631 2.623 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.211 1.335 4.279 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.179 0.961 5.383 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.730 0.764 6.685 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.528 0.769 5.124 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.598 0.386 7.693 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.399 0.395 6.127 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.930 0.201 7.409 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.794 -0.171 8.414 1.00 0.00 O ATOM 0 H TYR A 66 -1.719 3.209 2.324 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.983 3.249 5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.632 1.020 3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.287 0.775 4.421 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.684 0.909 6.913 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.903 0.914 4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.231 0.237 8.698 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.447 0.254 5.908 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.524 -0.705 8.037 1.00 0.00 H new ATOM 1073 N TYR A 67 1.375 3.651 4.563 1.00 0.00 N ATOM 1074 CA TYR A 67 2.753 3.952 4.189 1.00 0.00 C ATOM 1075 C TYR A 67 3.718 3.666 5.328 1.00 0.00 C ATOM 1076 O TYR A 67 3.312 3.446 6.470 1.00 0.00 O ATOM 1077 CB TYR A 67 2.890 5.418 3.748 1.00 0.00 C ATOM 1078 CG TYR A 67 2.565 6.435 4.816 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.560 6.946 5.640 1.00 0.00 C ATOM 1080 CD2 TYR A 67 1.270 6.897 4.986 1.00 0.00 C ATOM 1081 CE1 TYR A 67 3.269 7.887 6.608 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.972 7.836 5.950 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.973 8.330 6.757 1.00 0.00 C ATOM 1084 OH TYR A 67 1.669 9.260 7.727 1.00 0.00 O ATOM 0 H TYR A 67 1.110 3.964 5.497 1.00 0.00 H new ATOM 0 HA TYR A 67 3.009 3.301 3.353 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.911 5.586 3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.235 5.588 2.893 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.577 6.602 5.522 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.482 6.516 4.354 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.052 8.273 7.244 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.043 8.183 6.072 1.00 0.00 H new ATOM 0 HH TYR A 67 0.757 9.592 7.588 1.00 0.00 H new ATOM 1094 N THR A 68 4.999 3.656 4.997 1.00 0.00 N ATOM 1095 CA THR A 68 6.052 3.487 5.989 1.00 0.00 C ATOM 1096 C THR A 68 7.346 4.115 5.479 1.00 0.00 C ATOM 1097 O THR A 68 7.619 4.098 4.275 1.00 0.00 O ATOM 1098 CB THR A 68 6.287 1.988 6.323 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.171 1.862 7.445 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.868 1.230 5.132 1.00 0.00 C ATOM 0 H THR A 68 5.338 3.764 4.041 1.00 0.00 H new ATOM 0 HA THR A 68 5.736 3.987 6.904 1.00 0.00 H new ATOM 0 HB THR A 68 5.318 1.552 6.567 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.562 0.963 7.454 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.019 0.185 5.404 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.178 1.290 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.823 1.673 4.850 1.00 0.00 H new ATOM 1108 N GLU A 69 8.113 4.714 6.380 1.00 0.00 N ATOM 1109 CA GLU A 69 9.402 5.257 6.020 1.00 0.00 C ATOM 1110 C GLU A 69 10.415 4.135 5.977 1.00 0.00 C ATOM 1111 O GLU A 69 10.477 3.306 6.888 1.00 0.00 O ATOM 1112 CB GLU A 69 9.840 6.301 7.044 1.00 0.00 C ATOM 1113 CG GLU A 69 8.683 7.023 7.681 1.00 0.00 C ATOM 1114 CD GLU A 69 9.127 8.053 8.698 1.00 0.00 C ATOM 1115 OE1 GLU A 69 9.401 7.667 9.853 1.00 0.00 O ATOM 1116 OE2 GLU A 69 9.213 9.253 8.352 1.00 0.00 O ATOM 0 H GLU A 69 7.860 4.833 7.361 1.00 0.00 H new ATOM 0 HA GLU A 69 9.331 5.733 5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.429 5.814 7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.491 7.028 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.095 7.514 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.030 6.298 8.166 1.00 0.00 H new ATOM 1123 N PHE A 70 11.200 4.110 4.927 1.00 0.00 N ATOM 1124 CA PHE A 70 12.137 3.026 4.715 1.00 0.00 C ATOM 1125 C PHE A 70 13.412 3.539 4.054 1.00 0.00 C ATOM 1126 O PHE A 70 13.438 4.656 3.531 1.00 0.00 O ATOM 1127 CB PHE A 70 11.498 1.894 3.887 1.00 0.00 C ATOM 1128 CG PHE A 70 11.069 2.279 2.490 1.00 0.00 C ATOM 1129 CD1 PHE A 70 11.050 1.333 1.482 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.681 3.568 2.188 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.658 1.661 0.201 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.289 3.909 0.913 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.275 2.957 -0.089 1.00 0.00 C ATOM 0 H PHE A 70 11.211 4.828 4.203 1.00 0.00 H new ATOM 0 HA PHE A 70 12.403 2.613 5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.209 1.071 3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.628 1.518 4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.348 0.318 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.685 4.320 2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.650 0.908 -0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.991 4.924 0.695 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.968 3.223 -1.089 1.00 0.00 H new ATOM 1143 N THR A 71 14.460 2.734 4.091 1.00 0.00 N ATOM 1144 CA THR A 71 15.690 3.038 3.384 1.00 0.00 C ATOM 1145 C THR A 71 16.024 1.908 2.409 1.00 0.00 C ATOM 1146 O THR A 71 16.737 0.965 2.765 1.00 0.00 O ATOM 1147 CB THR A 71 16.855 3.252 4.370 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.524 4.302 5.289 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.143 3.610 3.639 1.00 0.00 C ATOM 0 H THR A 71 14.482 1.856 4.609 1.00 0.00 H new ATOM 0 HA THR A 71 15.545 3.962 2.825 1.00 0.00 H new ATOM 0 HB THR A 71 17.014 2.318 4.910 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.266 4.434 5.915 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.945 3.754 4.363 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.411 2.803 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.996 4.530 3.072 1.00 0.00 H new ATOM 1157 N PRO A 72 15.480 1.976 1.177 1.00 0.00 N ATOM 1158 CA PRO A 72 15.685 0.949 0.142 1.00 0.00 C ATOM 1159 C PRO A 72 17.151 0.622 -0.099 1.00 0.00 C ATOM 1160 O PRO A 72 18.023 1.485 0.030 1.00 0.00 O ATOM 1161 CB PRO A 72 15.077 1.579 -1.127 1.00 0.00 C ATOM 1162 CG PRO A 72 14.819 3.011 -0.787 1.00 0.00 C ATOM 1163 CD PRO A 72 14.605 3.054 0.695 1.00 0.00 C ATOM 0 HA PRO A 72 15.229 0.004 0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.761 1.495 -1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.155 1.072 -1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.662 3.638 -1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.944 3.386 -1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.882 4.020 1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.562 2.878 0.959 1.00 0.00 H new ATOM 1171 N THR A 73 17.408 -0.626 -0.464 1.00 0.00 N ATOM 1172 CA THR A 73 18.745 -1.093 -0.739 1.00 0.00 C ATOM 1173 C THR A 73 18.712 -1.996 -1.961 1.00 0.00 C ATOM 1174 O THR A 73 17.642 -2.277 -2.497 1.00 0.00 O ATOM 1175 CB THR A 73 19.358 -1.871 0.453 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.657 -3.103 0.656 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.305 -1.049 1.733 1.00 0.00 C ATOM 0 H THR A 73 16.688 -1.340 -0.576 1.00 0.00 H new ATOM 0 HA THR A 73 19.371 -0.218 -0.915 1.00 0.00 H new ATOM 0 HB THR A 73 20.401 -2.077 0.211 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.798 -3.072 0.185 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.742 -1.621 2.551 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.867 -0.125 1.596 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.268 -0.811 1.970 1.00 0.00 H new ATOM 1185 N GLU A 74 19.871 -2.413 -2.417 1.00 0.00 N ATOM 1186 CA GLU A 74 19.957 -3.376 -3.503 1.00 0.00 C ATOM 1187 C GLU A 74 19.343 -4.715 -3.086 1.00 0.00 C ATOM 1188 O GLU A 74 18.553 -5.311 -3.824 1.00 0.00 O ATOM 1189 CB GLU A 74 21.428 -3.548 -3.884 1.00 0.00 C ATOM 1190 CG GLU A 74 21.681 -4.376 -5.127 1.00 0.00 C ATOM 1191 CD GLU A 74 21.723 -5.874 -4.876 1.00 0.00 C ATOM 1192 OE1 GLU A 74 22.736 -6.362 -4.331 1.00 0.00 O ATOM 1193 OE2 GLU A 74 20.764 -6.567 -5.261 1.00 0.00 O ATOM 0 H GLU A 74 20.772 -2.102 -2.055 1.00 0.00 H new ATOM 0 HA GLU A 74 19.396 -3.013 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.867 -2.561 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.952 -4.010 -3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 74 20.901 -4.163 -5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.627 -4.066 -5.571 1.00 0.00 H new ATOM 1200 N LYS A 75 19.688 -5.149 -1.883 1.00 0.00 N ATOM 1201 CA LYS A 75 19.429 -6.500 -1.432 1.00 0.00 C ATOM 1202 C LYS A 75 18.011 -6.701 -0.906 1.00 0.00 C ATOM 1203 O LYS A 75 17.493 -7.815 -0.959 1.00 0.00 O ATOM 1204 CB LYS A 75 20.443 -6.854 -0.348 1.00 0.00 C ATOM 1205 CG LYS A 75 21.877 -6.786 -0.839 1.00 0.00 C ATOM 1206 CD LYS A 75 22.817 -6.355 0.269 1.00 0.00 C ATOM 1207 CE LYS A 75 22.974 -7.427 1.336 1.00 0.00 C ATOM 1208 NZ LYS A 75 23.628 -8.645 0.799 1.00 0.00 N ATOM 0 H LYS A 75 20.159 -4.566 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 75 19.529 -7.160 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.320 -6.174 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.237 -7.859 0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.181 -7.762 -1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.946 -6.085 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.793 -6.121 -0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.441 -5.440 0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.563 -7.033 2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.994 -7.687 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.962 -9.236 1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.945 -9.183 0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.436 -8.372 0.205 1.00 0.00 H new ATOM 1222 N ASP A 76 17.371 -5.650 -0.403 1.00 0.00 N ATOM 1223 CA ASP A 76 16.048 -5.825 0.191 1.00 0.00 C ATOM 1224 C ASP A 76 14.925 -5.425 -0.774 1.00 0.00 C ATOM 1225 O ASP A 76 15.186 -4.913 -1.861 1.00 0.00 O ATOM 1226 CB ASP A 76 15.942 -5.085 1.543 1.00 0.00 C ATOM 1227 CG ASP A 76 15.849 -3.572 1.464 1.00 0.00 C ATOM 1228 OD1 ASP A 76 15.516 -2.957 2.504 1.00 0.00 O ATOM 1229 OD2 ASP A 76 16.125 -2.993 0.398 1.00 0.00 O ATOM 0 H ASP A 76 17.732 -4.696 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 76 15.918 -6.889 0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.064 -5.457 2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.811 -5.345 2.147 1.00 0.00 H new ATOM 1234 N GLU A 77 13.680 -5.691 -0.370 1.00 0.00 N ATOM 1235 CA GLU A 77 12.522 -5.525 -1.242 1.00 0.00 C ATOM 1236 C GLU A 77 11.263 -5.377 -0.399 1.00 0.00 C ATOM 1237 O GLU A 77 11.170 -5.946 0.687 1.00 0.00 O ATOM 1238 CB GLU A 77 12.413 -6.741 -2.170 1.00 0.00 C ATOM 1239 CG GLU A 77 11.327 -6.656 -3.241 1.00 0.00 C ATOM 1240 CD GLU A 77 11.615 -5.589 -4.266 1.00 0.00 C ATOM 1241 OE1 GLU A 77 12.560 -5.763 -5.059 1.00 0.00 O ATOM 1242 OE2 GLU A 77 10.868 -4.591 -4.312 1.00 0.00 O ATOM 0 H GLU A 77 13.451 -6.025 0.566 1.00 0.00 H new ATOM 0 HA GLU A 77 12.638 -4.627 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.374 -6.887 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.229 -7.626 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.236 -7.621 -3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.367 -6.451 -2.766 1.00 0.00 H new ATOM 1249 N TYR A 78 10.294 -4.612 -0.879 1.00 0.00 N ATOM 1250 CA TYR A 78 9.081 -4.379 -0.112 1.00 0.00 C ATOM 1251 C TYR A 78 7.840 -4.640 -0.956 1.00 0.00 C ATOM 1252 O TYR A 78 7.886 -4.592 -2.187 1.00 0.00 O ATOM 1253 CB TYR A 78 9.040 -2.954 0.476 1.00 0.00 C ATOM 1254 CG TYR A 78 10.384 -2.406 0.936 1.00 0.00 C ATOM 1255 CD1 TYR A 78 11.393 -2.103 0.024 1.00 0.00 C ATOM 1256 CD2 TYR A 78 10.637 -2.181 2.284 1.00 0.00 C ATOM 1257 CE1 TYR A 78 12.605 -1.595 0.443 1.00 0.00 C ATOM 1258 CE2 TYR A 78 11.853 -1.671 2.707 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.829 -1.378 1.783 1.00 0.00 C ATOM 1260 OH TYR A 78 14.034 -0.866 2.195 1.00 0.00 O ATOM 0 H TYR A 78 10.323 -4.147 -1.786 1.00 0.00 H new ATOM 0 HA TYR A 78 9.089 -5.083 0.720 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.628 -2.280 -0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.353 -2.947 1.322 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.223 -2.269 -1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.873 -2.407 3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.376 -1.368 -0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 78 12.034 -1.504 3.758 1.00 0.00 H new ATOM 0 HH TYR A 78 14.659 -1.600 2.370 1.00 0.00 H new ATOM 1270 N ALA A 79 6.736 -4.927 -0.287 1.00 0.00 N ATOM 1271 CA ALA A 79 5.499 -5.310 -0.973 1.00 0.00 C ATOM 1272 C ALA A 79 4.264 -4.739 -0.286 1.00 0.00 C ATOM 1273 O ALA A 79 4.353 -4.237 0.823 1.00 0.00 O ATOM 1274 CB ALA A 79 5.399 -6.824 -1.064 1.00 0.00 C ATOM 0 H ALA A 79 6.664 -4.904 0.730 1.00 0.00 H new ATOM 0 HA ALA A 79 5.536 -4.889 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.476 -7.098 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.252 -7.212 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.397 -7.250 -0.060 1.00 0.00 H new ATOM 1280 N CYS A 80 3.132 -4.761 -0.973 1.00 0.00 N ATOM 1281 CA CYS A 80 1.852 -4.373 -0.379 1.00 0.00 C ATOM 1282 C CYS A 80 0.895 -5.563 -0.345 1.00 0.00 C ATOM 1283 O CYS A 80 0.762 -6.278 -1.337 1.00 0.00 O ATOM 1284 CB CYS A 80 1.206 -3.249 -1.187 1.00 0.00 C ATOM 1285 SG CYS A 80 1.717 -1.569 -0.711 1.00 0.00 S ATOM 0 H CYS A 80 3.069 -5.045 -1.951 1.00 0.00 H new ATOM 0 HA CYS A 80 2.047 -4.030 0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.440 -3.399 -2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.123 -3.325 -1.087 1.00 0.00 H new ATOM 1290 N ARG A 81 0.243 -5.769 0.789 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.756 -6.822 0.939 1.00 0.00 C ATOM 1292 C ARG A 81 -2.107 -6.203 1.278 1.00 0.00 C ATOM 1293 O ARG A 81 -2.179 -5.324 2.126 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.371 -7.757 2.086 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.080 -9.101 2.062 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.732 -9.926 3.302 1.00 0.00 C ATOM 1297 NE ARG A 81 0.547 -10.633 3.175 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.354 -10.899 4.206 1.00 0.00 C ATOM 1299 NH1 ARG A 81 1.142 -10.321 5.382 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.414 -11.684 4.036 1.00 0.00 N ATOM 0 H ARG A 81 0.389 -5.213 1.632 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.810 -7.378 0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.705 -7.927 2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.589 -7.261 3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.158 -8.947 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.796 -9.650 1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.694 -9.269 4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.526 -10.650 3.485 1.00 0.00 H new ATOM 0 HE ARG A 81 0.837 -10.939 2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.363 -9.673 5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.758 -10.524 6.169 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.611 -12.083 3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.030 -11.887 4.823 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.174 -6.652 0.639 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.509 -6.198 1.027 1.00 0.00 C ATOM 1316 C VAL A 82 -5.426 -7.378 1.254 1.00 0.00 C ATOM 1317 O VAL A 82 -5.341 -8.398 0.566 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.160 -5.231 0.015 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.130 -4.287 -0.536 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.879 -5.965 -1.100 1.00 0.00 C ATOM 0 H VAL A 82 -3.151 -7.316 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.370 -5.640 1.953 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.916 -4.655 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.601 -3.610 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.693 -3.710 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.347 -4.855 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.320 -5.242 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.169 -6.591 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.665 -6.590 -0.676 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.268 -7.243 2.249 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.244 -8.263 2.573 1.00 0.00 C ATOM 1332 C ASN A 83 -8.650 -7.725 2.406 1.00 0.00 C ATOM 1333 O ASN A 83 -9.015 -6.735 3.041 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.080 -8.742 4.025 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.678 -9.213 4.367 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.400 -10.408 4.392 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.786 -8.272 4.625 1.00 0.00 N ATOM 0 H ASN A 83 -6.299 -6.426 2.858 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.079 -9.098 1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.353 -7.929 4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.781 -9.557 4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.826 -8.529 4.855 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.058 -7.289 4.594 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.433 -8.363 1.553 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.837 -8.062 1.456 1.00 0.00 C ATOM 1346 C HIS A 84 -11.563 -9.329 1.055 1.00 0.00 C ATOM 1347 O HIS A 84 -10.967 -10.235 0.470 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.092 -6.956 0.435 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.336 -6.175 0.726 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.486 -6.363 0.000 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.554 -5.223 1.668 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.375 -5.529 0.509 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.857 -4.819 1.519 1.00 0.00 N ATOM 0 H HIS A 84 -9.112 -9.094 0.919 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.203 -7.705 2.419 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.238 -6.278 0.419 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.169 -7.396 -0.559 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.842 -4.856 2.392 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.391 -5.432 0.155 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.340 -4.112 2.073 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.845 -9.385 1.373 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.640 -10.592 1.183 1.00 0.00 C ATOM 1363 C VAL A 85 -13.782 -10.950 -0.292 1.00 0.00 C ATOM 1364 O VAL A 85 -14.105 -12.089 -0.629 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.049 -10.443 1.800 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -14.953 -10.142 3.287 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.845 -9.363 1.081 1.00 0.00 C ATOM 0 H VAL A 85 -13.364 -8.601 1.768 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.106 -11.394 1.692 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.576 -11.389 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.955 -10.041 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.432 -10.956 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.403 -9.213 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.833 -9.277 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.323 -8.410 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.950 -9.628 0.029 1.00 0.00 H new ATOM 1377 N THR A 86 -13.548 -9.978 -1.164 1.00 0.00 N ATOM 1378 CA THR A 86 -13.721 -10.178 -2.591 1.00 0.00 C ATOM 1379 C THR A 86 -12.588 -11.002 -3.167 1.00 0.00 C ATOM 1380 O THR A 86 -12.801 -11.899 -3.987 1.00 0.00 O ATOM 1381 CB THR A 86 -13.769 -8.830 -3.333 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.483 -8.200 -3.286 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.786 -7.906 -2.702 1.00 0.00 C ATOM 0 H THR A 86 -13.237 -9.042 -0.904 1.00 0.00 H new ATOM 0 HA THR A 86 -14.664 -10.707 -2.727 1.00 0.00 H new ATOM 0 HB THR A 86 -14.053 -9.024 -4.367 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.013 -8.351 -4.133 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.803 -6.960 -3.243 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.773 -8.367 -2.746 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.517 -7.725 -1.661 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.381 -10.686 -2.731 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.204 -11.346 -3.241 1.00 0.00 C ATOM 1393 C LEU A 87 -10.178 -12.777 -2.728 1.00 0.00 C ATOM 1394 O LEU A 87 -10.254 -13.008 -1.521 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.935 -10.594 -2.814 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.803 -9.171 -3.370 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.442 -8.572 -3.023 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -9.023 -9.170 -4.877 1.00 0.00 C ATOM 0 H LEU A 87 -11.196 -9.975 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.235 -11.353 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.909 -10.546 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.066 -11.172 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.570 -8.550 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.374 -7.563 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.326 -8.536 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.653 -9.189 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.926 -8.153 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.279 -9.808 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.021 -9.547 -5.099 1.00 0.00 H new ATOM 1410 N SER A 88 -10.104 -13.730 -3.655 1.00 0.00 N ATOM 1411 CA SER A 88 -10.074 -15.151 -3.316 1.00 0.00 C ATOM 1412 C SER A 88 -8.914 -15.452 -2.375 1.00 0.00 C ATOM 1413 O SER A 88 -8.930 -16.427 -1.621 1.00 0.00 O ATOM 1414 CB SER A 88 -9.950 -15.977 -4.597 1.00 0.00 C ATOM 1415 OG SER A 88 -8.952 -15.439 -5.455 1.00 0.00 O ATOM 0 H SER A 88 -10.063 -13.541 -4.656 1.00 0.00 H new ATOM 0 HA SER A 88 -11.000 -15.416 -2.806 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.702 -17.008 -4.346 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.909 -15.997 -5.116 1.00 0.00 H new ATOM 0 HG SER A 88 -8.890 -15.985 -6.267 1.00 0.00 H new ATOM 1421 N GLN A 89 -7.923 -14.586 -2.434 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.753 -14.644 -1.589 1.00 0.00 C ATOM 1423 C GLN A 89 -6.222 -13.220 -1.466 1.00 0.00 C ATOM 1424 O GLN A 89 -6.205 -12.502 -2.469 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.692 -15.573 -2.243 1.00 0.00 C ATOM 1426 CG GLN A 89 -5.369 -15.194 -3.690 1.00 0.00 C ATOM 1427 CD GLN A 89 -4.394 -16.150 -4.344 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -3.547 -16.752 -3.681 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -4.505 -16.290 -5.656 1.00 0.00 N ATOM 0 H GLN A 89 -7.911 -13.804 -3.088 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.988 -15.045 -0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.776 -15.540 -1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.052 -16.601 -2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.292 -15.171 -4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.953 -14.187 -3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.221 -15.772 -6.165 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.875 -16.916 -6.157 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.857 -12.747 -0.247 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.229 -11.429 -0.082 1.00 0.00 C ATOM 1440 C PRO A 90 -4.179 -11.162 -1.147 1.00 0.00 C ATOM 1441 O PRO A 90 -3.466 -12.069 -1.583 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.606 -11.530 1.300 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.593 -12.348 2.052 1.00 0.00 C ATOM 1444 CD PRO A 90 -6.061 -13.413 1.075 1.00 0.00 C ATOM 0 HA PRO A 90 -5.934 -10.604 -0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.627 -12.008 1.267 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.467 -10.548 1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.139 -12.797 2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.427 -11.738 2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.477 -14.329 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.105 -13.683 1.237 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.069 -9.913 -1.541 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.336 -9.578 -2.733 1.00 0.00 C ATOM 1454 C LYS A 91 -2.014 -8.934 -2.383 1.00 0.00 C ATOM 1455 O LYS A 91 -1.964 -8.004 -1.580 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.146 -8.637 -3.611 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.516 -8.436 -4.969 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.484 -9.741 -5.735 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.861 -10.146 -6.242 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.848 -11.516 -6.818 1.00 0.00 N ATOM 0 H LYS A 91 -4.478 -9.117 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.146 -10.501 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.153 -9.036 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.245 -7.673 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.079 -7.691 -5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.503 -8.050 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.801 -9.648 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.090 -10.528 -5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.579 -10.101 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.195 -9.435 -6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.801 -11.760 -7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.181 -11.551 -7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.553 -12.196 -6.089 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.951 -9.443 -2.971 1.00 0.00 N ATOM 1475 CA ILE A 92 0.364 -8.859 -2.793 1.00 0.00 C ATOM 1476 C ILE A 92 0.863 -8.279 -4.103 1.00 0.00 C ATOM 1477 O ILE A 92 0.832 -8.937 -5.143 1.00 0.00 O ATOM 1478 CB ILE A 92 1.419 -9.868 -2.278 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.085 -10.373 -0.865 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.809 -9.241 -2.296 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.052 -11.477 -0.822 1.00 0.00 C ATOM 0 H ILE A 92 -0.971 -10.262 -3.578 1.00 0.00 H new ATOM 0 HA ILE A 92 0.244 -8.082 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 92 1.404 -10.726 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.001 -10.731 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.727 -9.534 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.539 -9.964 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.064 -8.951 -3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.819 -8.360 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.122 -11.772 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.880 -11.120 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.413 -12.336 -1.388 1.00 0.00 H new ATOM 1493 N VAL A 93 1.302 -7.043 -4.039 1.00 0.00 N ATOM 1494 CA VAL A 93 1.963 -6.397 -5.151 1.00 0.00 C ATOM 1495 C VAL A 93 3.288 -5.843 -4.663 1.00 0.00 C ATOM 1496 O VAL A 93 3.340 -5.160 -3.639 1.00 0.00 O ATOM 1497 CB VAL A 93 1.100 -5.268 -5.758 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.863 -4.505 -6.832 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.182 -5.845 -6.335 1.00 0.00 C ATOM 0 H VAL A 93 1.211 -6.454 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 93 2.124 -7.131 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 93 0.851 -4.567 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.229 -3.718 -7.239 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.758 -4.061 -6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.149 -5.189 -7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.783 -5.042 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.062 -6.567 -7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.746 -6.341 -5.545 1.00 0.00 H new ATOM 1509 N LYS A 94 4.352 -6.157 -5.374 1.00 0.00 N ATOM 1510 CA LYS A 94 5.668 -5.765 -4.943 1.00 0.00 C ATOM 1511 C LYS A 94 5.946 -4.338 -5.398 1.00 0.00 C ATOM 1512 O LYS A 94 5.486 -3.914 -6.460 1.00 0.00 O ATOM 1513 CB LYS A 94 6.713 -6.755 -5.463 1.00 0.00 C ATOM 1514 CG LYS A 94 7.620 -6.218 -6.547 1.00 0.00 C ATOM 1515 CD LYS A 94 8.882 -7.048 -6.591 1.00 0.00 C ATOM 1516 CE LYS A 94 10.073 -6.276 -7.136 1.00 0.00 C ATOM 1517 NZ LYS A 94 10.006 -4.819 -6.833 1.00 0.00 N ATOM 0 H LYS A 94 4.326 -6.681 -6.249 1.00 0.00 H new ATOM 0 HA LYS A 94 5.725 -5.785 -3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.328 -7.084 -4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.198 -7.636 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.114 -6.252 -7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.863 -5.174 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.113 -7.404 -5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.711 -7.929 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.990 -6.688 -6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.127 -6.416 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.888 -4.360 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.203 -4.396 -7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.880 -4.683 -5.810 1.00 0.00 H new ATOM 1531 N TRP A 95 6.672 -3.603 -4.574 1.00 0.00 N ATOM 1532 CA TRP A 95 6.917 -2.188 -4.823 1.00 0.00 C ATOM 1533 C TRP A 95 7.776 -1.996 -6.068 1.00 0.00 C ATOM 1534 O TRP A 95 8.936 -2.406 -6.107 1.00 0.00 O ATOM 1535 CB TRP A 95 7.587 -1.542 -3.596 1.00 0.00 C ATOM 1536 CG TRP A 95 7.950 -0.101 -3.784 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.095 0.937 -4.007 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.265 0.462 -3.751 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.796 2.110 -4.113 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.129 1.845 -3.961 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.542 -0.071 -3.567 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.221 2.705 -3.986 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.629 0.781 -3.595 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.460 2.162 -3.804 1.00 0.00 C ATOM 0 H TRP A 95 7.105 -3.962 -3.723 1.00 0.00 H new ATOM 0 HA TRP A 95 5.959 -1.697 -4.997 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.915 -1.628 -2.742 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.488 -2.103 -3.350 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.022 0.848 -4.088 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.390 3.031 -4.278 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.678 -1.130 -3.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.093 3.766 -4.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.622 0.381 -3.454 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.328 2.805 -3.821 1.00 0.00 H new