USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1141 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 117 SER OG : rot 83:sc= 1.43 USER MOD Set 1.2: A 130 HIS : +bothHN:sc= -10.3! C(o=-8.9!,f=-16!) USER MOD Set 2.1: A 69 ASN : amide:sc= -2.28 K(o=-3.7,f=-9.8!) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 97 GLN : amide:sc= -2.22! C(o=-3.7!,f=-16!) USER MOD Set 2.4: A 99 SER OG : rot -116:sc= 0.816 USER MOD Set 3.1: A 52 MET CE :methyl 179:sc= -1.52 (180deg=-1.53) USER MOD Set 3.2: A 137 TYR OH : rot -163:sc= 1.16 USER MOD Set 4.1: A 6 SER OG : rot 167:sc= -3.65! USER MOD Set 4.2: A 8 HIS : no HD1:sc= -7.03! C(o=-12!,f=-16!) USER MOD Set 4.3: A 125 THR OG1 : rot 150:sc= -0.361 USER MOD Set 4.4: A 126 ASN : amide:sc= -0.912 K(o=-12,f=-25!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0924 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00863) USER MOD Single : A 13 GLN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.164) USER MOD Single : A 18 SER OG : rot -91:sc= 0.92 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -39:sc= 1.13 USER MOD Single : A 35 GLN : amide:sc= 0.453 K(o=0.45,f=-0.12) USER MOD Single : A 40 THR OG1 : rot -120:sc= -0.346 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0823 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -126:sc= -0.594 (180deg=-1.94!) USER MOD Single : A 53 THR OG1 : rot 121:sc= -0.213 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -110:sc= -0.397 (180deg=-1.88!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.008) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0706 F(o=-1.6!,f=-0.071) USER MOD Single : A 73 TYR OH : rot -92:sc= -0.201 USER MOD Single : A 74 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-8.3!) USER MOD Single : A 76 THR OG1 : rot -160:sc= -1.08 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00859 USER MOD Single : A 91 ASN : amide:sc= -0.0718 X(o=-0.072,f=-0.54) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 159:sc= -0.0178 (180deg=-0.214) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.111 F(o=-2.1!,f=-0.11) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.617 K(o=-0.62,f=-2!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -140:sc= -0.92 USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= -3.21! USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.726 16.650 -0.964 1.00 0.00 N ATOM 2 CA GLY A 1 -20.354 16.294 -0.620 1.00 0.00 C ATOM 3 C GLY A 1 -20.201 16.102 0.884 1.00 0.00 C ATOM 4 O GLY A 1 -21.042 16.548 1.666 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.720 17.400 -1.684 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.218 15.814 -1.339 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.220 16.990 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.071 15.377 -1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.675 17.075 -0.962 1.00 0.00 H new ATOM 8 N ALA A 2 -19.122 15.436 1.284 1.00 0.00 N ATOM 9 CA ALA A 2 -18.867 15.190 2.699 1.00 0.00 C ATOM 10 C ALA A 2 -17.392 15.405 3.020 1.00 0.00 C ATOM 11 O ALA A 2 -16.585 15.658 2.125 1.00 0.00 O ATOM 12 CB ALA A 2 -19.267 13.759 3.059 1.00 0.00 C ATOM 0 H ALA A 2 -18.415 15.059 0.653 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.461 15.891 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.074 13.582 4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.328 13.616 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.685 13.057 2.462 1.00 0.00 H new ATOM 18 N MET A 3 -17.050 15.299 4.302 1.00 0.00 N ATOM 19 CA MET A 3 -15.668 15.483 4.738 1.00 0.00 C ATOM 20 C MET A 3 -15.101 14.174 5.281 1.00 0.00 C ATOM 21 O MET A 3 -14.607 14.120 6.407 1.00 0.00 O ATOM 22 CB MET A 3 -15.603 16.560 5.823 1.00 0.00 C ATOM 23 CG MET A 3 -14.149 16.787 6.242 1.00 0.00 C ATOM 24 SD MET A 3 -13.809 18.565 6.306 1.00 0.00 S ATOM 25 CE MET A 3 -13.319 18.766 4.575 1.00 0.00 C ATOM 0 H MET A 3 -17.707 15.088 5.053 1.00 0.00 H new ATOM 0 HA MET A 3 -15.073 15.796 3.880 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.033 17.490 5.451 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.196 16.257 6.685 1.00 0.00 H new ATOM 0 HG2 MET A 3 -13.966 16.336 7.217 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.476 16.302 5.535 1.00 0.00 H new ATOM 0 HE1 MET A 3 -13.061 19.809 4.388 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.455 18.136 4.366 1.00 0.00 H new ATOM 0 HE3 MET A 3 -14.146 18.475 3.927 1.00 0.00 H new ATOM 35 N GLU A 4 -15.175 13.124 4.470 1.00 0.00 N ATOM 36 CA GLU A 4 -14.666 11.819 4.876 1.00 0.00 C ATOM 37 C GLU A 4 -14.748 10.828 3.718 1.00 0.00 C ATOM 38 O GLU A 4 -15.821 10.592 3.165 1.00 0.00 O ATOM 39 CB GLU A 4 -15.466 11.289 6.070 1.00 0.00 C ATOM 40 CG GLU A 4 -16.961 11.304 5.743 1.00 0.00 C ATOM 41 CD GLU A 4 -17.513 9.882 5.764 1.00 0.00 C ATOM 42 OE1 GLU A 4 -17.744 9.342 4.695 1.00 0.00 O ATOM 43 OE2 GLU A 4 -17.694 9.354 6.848 1.00 0.00 O ATOM 0 H GLU A 4 -15.580 13.150 3.534 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.622 11.932 5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.148 10.275 6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.271 11.902 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.494 11.921 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.123 11.752 4.762 1.00 0.00 H new ATOM 50 N LYS A 5 -13.601 10.258 3.355 1.00 0.00 N ATOM 51 CA LYS A 5 -13.538 9.297 2.259 1.00 0.00 C ATOM 52 C LYS A 5 -12.996 7.960 2.748 1.00 0.00 C ATOM 53 O LYS A 5 -12.089 7.912 3.580 1.00 0.00 O ATOM 54 CB LYS A 5 -12.634 9.836 1.148 1.00 0.00 C ATOM 55 CG LYS A 5 -13.157 11.192 0.667 1.00 0.00 C ATOM 56 CD LYS A 5 -13.772 11.038 -0.725 1.00 0.00 C ATOM 57 CE LYS A 5 -14.429 12.352 -1.146 1.00 0.00 C ATOM 58 NZ LYS A 5 -15.910 12.178 -1.178 1.00 0.00 N ATOM 0 H LYS A 5 -12.704 10.445 3.804 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.546 9.148 1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.613 9.939 1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.604 9.132 0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.902 11.575 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.344 11.918 0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.002 10.758 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.510 10.236 -0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.160 13.145 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.066 12.654 -2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.358 13.072 -1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.157 11.432 -1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.248 11.908 -0.232 1.00 0.00 H new ATOM 72 N SER A 6 -13.556 6.875 2.226 1.00 0.00 N ATOM 73 CA SER A 6 -13.118 5.541 2.616 1.00 0.00 C ATOM 74 C SER A 6 -11.984 5.068 1.718 1.00 0.00 C ATOM 75 O SER A 6 -11.763 5.611 0.636 1.00 0.00 O ATOM 76 CB SER A 6 -14.276 4.550 2.515 1.00 0.00 C ATOM 77 OG SER A 6 -13.805 3.340 1.937 1.00 0.00 O ATOM 0 H SER A 6 -14.308 6.892 1.537 1.00 0.00 H new ATOM 0 HA SER A 6 -12.768 5.590 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.693 4.357 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.078 4.970 1.907 1.00 0.00 H new ATOM 0 HG SER A 6 -14.478 2.637 2.055 1.00 0.00 H new ATOM 83 N LEU A 7 -11.270 4.051 2.175 1.00 0.00 N ATOM 84 CA LEU A 7 -10.161 3.505 1.410 1.00 0.00 C ATOM 85 C LEU A 7 -10.579 3.233 -0.039 1.00 0.00 C ATOM 86 O LEU A 7 -10.029 3.816 -0.979 1.00 0.00 O ATOM 87 CB LEU A 7 -9.698 2.202 2.061 1.00 0.00 C ATOM 88 CG LEU A 7 -8.485 2.474 2.966 1.00 0.00 C ATOM 89 CD1 LEU A 7 -8.171 1.239 3.823 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.263 2.809 2.107 1.00 0.00 C ATOM 0 H LEU A 7 -11.438 3.589 3.069 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.348 4.231 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.509 1.769 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.435 1.475 1.293 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.721 3.315 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.310 1.446 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.033 1.000 4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.947 0.393 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.406 3.001 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.040 1.970 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.471 3.695 1.508 1.00 0.00 H new ATOM 102 N HIS A 8 -11.553 2.342 -0.211 1.00 0.00 N ATOM 103 CA HIS A 8 -12.032 1.998 -1.547 1.00 0.00 C ATOM 104 C HIS A 8 -12.534 3.239 -2.274 1.00 0.00 C ATOM 105 O HIS A 8 -12.227 3.451 -3.445 1.00 0.00 O ATOM 106 CB HIS A 8 -13.156 0.965 -1.456 1.00 0.00 C ATOM 107 CG HIS A 8 -14.297 1.525 -0.649 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.162 2.483 -1.156 1.00 0.00 N ATOM 109 CD2 HIS A 8 -14.729 1.268 0.628 1.00 0.00 C ATOM 110 CE1 HIS A 8 -16.060 2.767 -0.195 1.00 0.00 C ATOM 111 NE2 HIS A 8 -15.841 2.055 0.913 1.00 0.00 N ATOM 0 H HIS A 8 -12.022 1.850 0.550 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.200 1.574 -2.109 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.501 0.700 -2.455 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.785 0.050 -0.993 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.275 0.562 1.308 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.860 3.484 -0.306 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -16.374 2.082 1.782 1.00 0.00 H new ATOM 120 N GLU A 9 -13.305 4.058 -1.570 1.00 0.00 N ATOM 121 CA GLU A 9 -13.837 5.277 -2.163 1.00 0.00 C ATOM 122 C GLU A 9 -12.722 6.044 -2.870 1.00 0.00 C ATOM 123 O GLU A 9 -12.891 6.514 -3.996 1.00 0.00 O ATOM 124 CB GLU A 9 -14.464 6.151 -1.076 1.00 0.00 C ATOM 125 CG GLU A 9 -15.397 7.181 -1.715 1.00 0.00 C ATOM 126 CD GLU A 9 -16.848 6.736 -1.564 1.00 0.00 C ATOM 127 OE1 GLU A 9 -17.245 6.444 -0.449 1.00 0.00 O ATOM 128 OE2 GLU A 9 -17.541 6.697 -2.568 1.00 0.00 O ATOM 0 H GLU A 9 -13.573 3.903 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.602 5.013 -2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.019 5.530 -0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.683 6.657 -0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.256 8.154 -1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.152 7.300 -2.771 1.00 0.00 H new ATOM 135 N LYS A 10 -11.578 6.162 -2.204 1.00 0.00 N ATOM 136 CA LYS A 10 -10.439 6.869 -2.782 1.00 0.00 C ATOM 137 C LYS A 10 -9.933 6.142 -4.027 1.00 0.00 C ATOM 138 O LYS A 10 -9.821 6.735 -5.099 1.00 0.00 O ATOM 139 CB LYS A 10 -9.307 6.973 -1.755 1.00 0.00 C ATOM 140 CG LYS A 10 -8.463 8.222 -2.035 1.00 0.00 C ATOM 141 CD LYS A 10 -8.995 9.392 -1.208 1.00 0.00 C ATOM 142 CE LYS A 10 -8.381 10.700 -1.713 1.00 0.00 C ATOM 143 NZ LYS A 10 -9.387 11.438 -2.529 1.00 0.00 N ATOM 0 H LYS A 10 -11.415 5.781 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.764 7.870 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.721 7.021 -0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.680 6.082 -1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.419 8.032 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.498 8.467 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.082 9.437 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.751 9.247 -0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.060 11.313 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.494 10.491 -2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.971 12.327 -2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.673 10.853 -3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.221 11.649 -1.944 1.00 0.00 H new ATOM 157 N LEU A 11 -9.630 4.853 -3.880 1.00 0.00 N ATOM 158 CA LEU A 11 -9.141 4.062 -5.012 1.00 0.00 C ATOM 159 C LEU A 11 -10.119 4.133 -6.180 1.00 0.00 C ATOM 160 O LEU A 11 -9.732 3.964 -7.336 1.00 0.00 O ATOM 161 CB LEU A 11 -8.960 2.605 -4.589 1.00 0.00 C ATOM 162 CG LEU A 11 -8.052 2.541 -3.360 1.00 0.00 C ATOM 163 CD1 LEU A 11 -7.918 1.093 -2.891 1.00 0.00 C ATOM 164 CD2 LEU A 11 -6.665 3.098 -3.706 1.00 0.00 C ATOM 0 H LEU A 11 -9.712 4.339 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.183 4.473 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.928 2.158 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.525 2.029 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.492 3.140 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.270 1.053 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.902 0.702 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.486 0.490 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.024 3.049 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.225 2.506 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.759 4.135 -4.029 1.00 0.00 H new ATOM 176 N LYS A 12 -11.387 4.377 -5.870 1.00 0.00 N ATOM 177 CA LYS A 12 -12.414 4.461 -6.903 1.00 0.00 C ATOM 178 C LYS A 12 -12.400 5.832 -7.573 1.00 0.00 C ATOM 179 O LYS A 12 -12.584 5.943 -8.785 1.00 0.00 O ATOM 180 CB LYS A 12 -13.791 4.206 -6.288 1.00 0.00 C ATOM 181 CG LYS A 12 -14.007 2.700 -6.129 1.00 0.00 C ATOM 182 CD LYS A 12 -15.334 2.448 -5.410 1.00 0.00 C ATOM 183 CE LYS A 12 -15.517 0.946 -5.185 1.00 0.00 C ATOM 184 NZ LYS A 12 -15.952 0.303 -6.458 1.00 0.00 N ATOM 0 H LYS A 12 -11.728 4.519 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.203 3.703 -7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.865 4.699 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.569 4.631 -6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.013 2.218 -7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.185 2.262 -5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.348 2.974 -4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.161 2.841 -6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.583 0.502 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.258 0.772 -4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.142 -0.706 -6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.817 0.766 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.200 0.400 -7.170 1.00 0.00 H new ATOM 198 N GLN A 13 -12.186 6.871 -6.776 1.00 0.00 N ATOM 199 CA GLN A 13 -12.156 8.234 -7.300 1.00 0.00 C ATOM 200 C GLN A 13 -10.826 8.517 -7.992 1.00 0.00 C ATOM 201 O GLN A 13 -10.762 9.301 -8.938 1.00 0.00 O ATOM 202 CB GLN A 13 -12.361 9.233 -6.158 1.00 0.00 C ATOM 203 CG GLN A 13 -13.503 10.193 -6.508 1.00 0.00 C ATOM 204 CD GLN A 13 -13.763 11.139 -5.340 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.914 11.353 -4.959 1.00 0.00 O ATOM 206 NE2 GLN A 13 -12.756 11.721 -4.746 1.00 0.00 N ATOM 0 H GLN A 13 -12.031 6.799 -5.770 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.959 8.341 -8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.590 8.702 -5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.443 9.794 -5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.248 10.765 -7.400 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.407 9.628 -6.738 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.804 11.542 -5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.922 12.355 -3.964 1.00 0.00 H new ATOM 215 N ASP A 14 -9.767 7.874 -7.512 1.00 0.00 N ATOM 216 CA ASP A 14 -8.443 8.067 -8.089 1.00 0.00 C ATOM 217 C ASP A 14 -8.211 7.093 -9.239 1.00 0.00 C ATOM 218 O ASP A 14 -7.924 5.916 -9.021 1.00 0.00 O ATOM 219 CB ASP A 14 -7.379 7.859 -7.012 1.00 0.00 C ATOM 220 CG ASP A 14 -7.040 9.189 -6.346 1.00 0.00 C ATOM 221 OD1 ASP A 14 -7.513 9.416 -5.244 1.00 0.00 O ATOM 222 OD2 ASP A 14 -6.314 9.963 -6.949 1.00 0.00 O ATOM 0 H ASP A 14 -9.799 7.219 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.376 9.083 -8.477 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.740 7.151 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.482 7.426 -7.455 1.00 0.00 H new ATOM 227 N LYS A 15 -8.339 7.589 -10.466 1.00 0.00 N ATOM 228 CA LYS A 15 -8.142 6.750 -11.644 1.00 0.00 C ATOM 229 C LYS A 15 -6.710 6.230 -11.693 1.00 0.00 C ATOM 230 O LYS A 15 -6.402 5.291 -12.428 1.00 0.00 O ATOM 231 CB LYS A 15 -8.449 7.551 -12.912 1.00 0.00 C ATOM 232 CG LYS A 15 -8.553 6.604 -14.111 1.00 0.00 C ATOM 233 CD LYS A 15 -9.122 7.365 -15.308 1.00 0.00 C ATOM 234 CE LYS A 15 -9.066 6.478 -16.553 1.00 0.00 C ATOM 235 NZ LYS A 15 -7.661 6.405 -17.046 1.00 0.00 N ATOM 0 H LYS A 15 -8.576 8.560 -10.670 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.821 5.899 -11.584 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.382 8.101 -12.789 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.665 8.288 -13.086 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.571 6.200 -14.356 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.194 5.757 -13.866 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.151 7.662 -15.107 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.553 8.279 -15.475 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.433 5.479 -16.318 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.715 6.881 -17.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.653 6.041 -18.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.237 7.354 -17.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.111 5.768 -16.435 1.00 0.00 H new ATOM 249 N ARG A 16 -5.842 6.847 -10.899 1.00 0.00 N ATOM 250 CA ARG A 16 -4.440 6.448 -10.841 1.00 0.00 C ATOM 251 C ARG A 16 -4.322 5.017 -10.327 1.00 0.00 C ATOM 252 O ARG A 16 -3.317 4.344 -10.561 1.00 0.00 O ATOM 253 CB ARG A 16 -3.672 7.393 -9.915 1.00 0.00 C ATOM 254 CG ARG A 16 -3.980 8.843 -10.297 1.00 0.00 C ATOM 255 CD ARG A 16 -3.297 9.789 -9.306 1.00 0.00 C ATOM 256 NE ARG A 16 -2.792 10.974 -9.992 1.00 0.00 N ATOM 257 CZ ARG A 16 -3.605 11.966 -10.348 1.00 0.00 C ATOM 258 NH1 ARG A 16 -4.883 11.885 -10.102 1.00 0.00 N ATOM 259 NH2 ARG A 16 -3.122 13.026 -10.939 1.00 0.00 N ATOM 0 H ARG A 16 -6.084 7.626 -10.286 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.016 6.500 -11.844 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.953 7.211 -8.878 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.601 7.205 -9.993 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.630 9.046 -11.309 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.057 9.010 -10.292 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.004 10.085 -8.531 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.476 9.273 -8.809 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.796 11.043 -10.203 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.261 11.060 -9.636 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.504 12.646 -10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.122 13.094 -11.128 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.745 13.786 -11.212 1.00 0.00 H new ATOM 273 N PHE A 17 -5.358 4.566 -9.621 1.00 0.00 N ATOM 274 CA PHE A 17 -5.375 3.213 -9.062 1.00 0.00 C ATOM 275 C PHE A 17 -6.551 2.400 -9.606 1.00 0.00 C ATOM 276 O PHE A 17 -7.093 1.525 -8.921 1.00 0.00 O ATOM 277 CB PHE A 17 -5.448 3.281 -7.538 1.00 0.00 C ATOM 278 CG PHE A 17 -4.536 4.379 -7.031 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.204 4.451 -7.468 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.023 5.324 -6.121 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.365 5.466 -6.992 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.183 6.338 -5.646 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.855 6.409 -6.082 1.00 0.00 C ATOM 0 H PHE A 17 -6.194 5.115 -9.422 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.454 2.713 -9.360 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.473 3.472 -7.222 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.155 2.324 -7.107 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.826 3.724 -8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.048 5.271 -5.785 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.340 5.521 -7.327 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.560 7.066 -4.943 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.208 7.192 -5.716 1.00 0.00 H new ATOM 293 N SER A 18 -6.927 2.677 -10.848 1.00 0.00 N ATOM 294 CA SER A 18 -8.018 1.961 -11.481 1.00 0.00 C ATOM 295 C SER A 18 -7.661 0.487 -11.645 1.00 0.00 C ATOM 296 O SER A 18 -8.492 -0.404 -11.429 1.00 0.00 O ATOM 297 CB SER A 18 -8.286 2.576 -12.847 1.00 0.00 C ATOM 298 OG SER A 18 -7.049 2.778 -13.519 1.00 0.00 O ATOM 0 H SER A 18 -6.492 3.391 -11.432 1.00 0.00 H new ATOM 0 HA SER A 18 -8.908 2.036 -10.856 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.930 1.921 -13.434 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.812 3.524 -12.736 1.00 0.00 H new ATOM 0 HG SER A 18 -6.714 3.678 -13.325 1.00 0.00 H new ATOM 304 N THR A 19 -6.414 0.232 -12.025 1.00 0.00 N ATOM 305 CA THR A 19 -5.969 -1.139 -12.214 1.00 0.00 C ATOM 306 C THR A 19 -6.163 -1.930 -10.931 1.00 0.00 C ATOM 307 O THR A 19 -6.692 -3.042 -10.949 1.00 0.00 O ATOM 308 CB THR A 19 -4.497 -1.175 -12.624 1.00 0.00 C ATOM 309 OG1 THR A 19 -4.247 -0.171 -13.599 1.00 0.00 O ATOM 310 CG2 THR A 19 -4.179 -2.551 -13.207 1.00 0.00 C ATOM 0 H THR A 19 -5.706 0.944 -12.205 1.00 0.00 H new ATOM 0 HA THR A 19 -6.565 -1.588 -13.009 1.00 0.00 H new ATOM 0 HB THR A 19 -3.867 -0.989 -11.754 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.302 -0.195 -13.859 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.131 -2.587 -13.503 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.371 -3.317 -12.456 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.808 -2.731 -14.078 1.00 0.00 H new ATOM 318 N PHE A 20 -5.741 -1.339 -9.818 1.00 0.00 N ATOM 319 CA PHE A 20 -5.881 -1.984 -8.521 1.00 0.00 C ATOM 320 C PHE A 20 -7.324 -2.382 -8.288 1.00 0.00 C ATOM 321 O PHE A 20 -7.606 -3.493 -7.844 1.00 0.00 O ATOM 322 CB PHE A 20 -5.418 -1.032 -7.416 1.00 0.00 C ATOM 323 CG PHE A 20 -3.997 -1.368 -7.035 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.612 -1.354 -5.689 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.066 -1.706 -8.027 1.00 0.00 C ATOM 326 CE1 PHE A 20 -2.297 -1.679 -5.334 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.753 -2.030 -7.673 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.368 -2.018 -6.327 1.00 0.00 C ATOM 0 H PHE A 20 -5.302 -0.419 -9.789 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.262 -2.881 -8.504 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.481 0.001 -7.759 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.070 -1.119 -6.547 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.329 -1.093 -4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.363 -1.716 -9.065 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.999 -1.668 -4.296 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.036 -2.290 -8.438 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.354 -2.270 -6.054 1.00 0.00 H new ATOM 338 N LEU A 21 -8.235 -1.479 -8.604 1.00 0.00 N ATOM 339 CA LEU A 21 -9.649 -1.767 -8.430 1.00 0.00 C ATOM 340 C LEU A 21 -10.030 -3.010 -9.227 1.00 0.00 C ATOM 341 O LEU A 21 -10.836 -3.823 -8.776 1.00 0.00 O ATOM 342 CB LEU A 21 -10.485 -0.571 -8.917 1.00 0.00 C ATOM 343 CG LEU A 21 -11.512 -0.148 -7.856 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.443 -1.314 -7.536 1.00 0.00 C ATOM 345 CD2 LEU A 21 -10.795 0.279 -6.578 1.00 0.00 C ATOM 0 H LEU A 21 -8.027 -0.553 -8.977 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.847 -1.944 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.827 0.268 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.999 -0.835 -9.841 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.093 0.687 -8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.168 -1.005 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.968 -1.619 -8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.859 -2.152 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.530 0.577 -5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.206 -0.555 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.136 1.120 -6.794 1.00 0.00 H new ATOM 357 N SER A 22 -9.453 -3.153 -10.413 1.00 0.00 N ATOM 358 CA SER A 22 -9.777 -4.297 -11.258 1.00 0.00 C ATOM 359 C SER A 22 -9.264 -5.613 -10.678 1.00 0.00 C ATOM 360 O SER A 22 -10.026 -6.563 -10.495 1.00 0.00 O ATOM 361 CB SER A 22 -9.199 -4.098 -12.660 1.00 0.00 C ATOM 362 OG SER A 22 -9.709 -5.105 -13.523 1.00 0.00 O ATOM 0 H SER A 22 -8.771 -2.505 -10.807 1.00 0.00 H new ATOM 0 HA SER A 22 -10.864 -4.358 -11.307 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.463 -3.110 -13.038 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.111 -4.147 -12.628 1.00 0.00 H new ATOM 0 HG SER A 22 -9.342 -4.981 -14.423 1.00 0.00 H new ATOM 368 N LEU A 23 -7.969 -5.672 -10.415 1.00 0.00 N ATOM 369 CA LEU A 23 -7.352 -6.883 -9.888 1.00 0.00 C ATOM 370 C LEU A 23 -7.756 -7.165 -8.437 1.00 0.00 C ATOM 371 O LEU A 23 -7.992 -8.321 -8.066 1.00 0.00 O ATOM 372 CB LEU A 23 -5.824 -6.762 -9.986 1.00 0.00 C ATOM 373 CG LEU A 23 -5.362 -5.489 -9.256 1.00 0.00 C ATOM 374 CD1 LEU A 23 -4.892 -5.829 -7.838 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.200 -4.832 -10.014 1.00 0.00 C ATOM 0 H LEU A 23 -7.322 -4.896 -10.557 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.707 -7.720 -10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.350 -7.639 -9.545 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.518 -6.726 -11.031 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.207 -4.802 -9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.568 -4.918 -7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.713 -6.280 -7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.060 -6.531 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.883 -3.932 -9.486 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.365 -5.530 -10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.526 -4.567 -11.020 1.00 0.00 H new ATOM 387 N LEU A 24 -7.823 -6.122 -7.606 1.00 0.00 N ATOM 388 CA LEU A 24 -8.182 -6.316 -6.204 1.00 0.00 C ATOM 389 C LEU A 24 -9.624 -6.769 -6.097 1.00 0.00 C ATOM 390 O LEU A 24 -9.960 -7.613 -5.268 1.00 0.00 O ATOM 391 CB LEU A 24 -7.921 -5.039 -5.388 1.00 0.00 C ATOM 392 CG LEU A 24 -9.142 -4.113 -5.386 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.188 -4.574 -4.366 1.00 0.00 C ATOM 394 CD2 LEU A 24 -8.675 -2.717 -4.996 1.00 0.00 C ATOM 0 H LEU A 24 -7.637 -5.155 -7.874 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.551 -7.098 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.665 -5.307 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.063 -4.510 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.595 -4.125 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.042 -3.897 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.518 -5.583 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.749 -4.571 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.527 -2.037 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.225 -2.748 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.938 -2.365 -5.718 1.00 0.00 H new ATOM 406 N GLU A 25 -10.476 -6.215 -6.941 1.00 0.00 N ATOM 407 CA GLU A 25 -11.868 -6.590 -6.926 1.00 0.00 C ATOM 408 C GLU A 25 -12.028 -8.056 -7.327 1.00 0.00 C ATOM 409 O GLU A 25 -12.856 -8.774 -6.767 1.00 0.00 O ATOM 410 CB GLU A 25 -12.629 -5.682 -7.884 1.00 0.00 C ATOM 411 CG GLU A 25 -14.076 -6.126 -7.954 1.00 0.00 C ATOM 412 CD GLU A 25 -14.305 -6.998 -9.184 1.00 0.00 C ATOM 413 OE1 GLU A 25 -14.894 -8.055 -9.036 1.00 0.00 O ATOM 414 OE2 GLU A 25 -13.886 -6.595 -10.258 1.00 0.00 O ATOM 0 H GLU A 25 -10.227 -5.512 -7.636 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.271 -6.475 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.570 -4.647 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.177 -5.720 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.337 -6.681 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.729 -5.254 -7.992 1.00 0.00 H new ATOM 421 N ALA A 26 -11.222 -8.500 -8.289 1.00 0.00 N ATOM 422 CA ALA A 26 -11.285 -9.888 -8.738 1.00 0.00 C ATOM 423 C ALA A 26 -11.032 -10.831 -7.567 1.00 0.00 C ATOM 424 O ALA A 26 -11.726 -11.836 -7.410 1.00 0.00 O ATOM 425 CB ALA A 26 -10.251 -10.149 -9.839 1.00 0.00 C ATOM 0 H ALA A 26 -10.526 -7.927 -8.767 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.281 -10.070 -9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.315 -11.189 -10.159 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.451 -9.495 -10.688 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.251 -9.949 -9.454 1.00 0.00 H new ATOM 431 N ALA A 27 -10.040 -10.498 -6.741 1.00 0.00 N ATOM 432 CA ALA A 27 -9.724 -11.332 -5.580 1.00 0.00 C ATOM 433 C ALA A 27 -10.822 -11.209 -4.528 1.00 0.00 C ATOM 434 O ALA A 27 -10.833 -11.943 -3.539 1.00 0.00 O ATOM 435 CB ALA A 27 -8.390 -10.913 -4.961 1.00 0.00 C ATOM 0 H ALA A 27 -9.451 -9.673 -6.850 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.653 -12.366 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.174 -11.545 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.596 -11.022 -5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.448 -9.872 -4.642 1.00 0.00 H new ATOM 441 N ASP A 28 -11.739 -10.275 -4.749 1.00 0.00 N ATOM 442 CA ASP A 28 -12.840 -10.059 -3.818 1.00 0.00 C ATOM 443 C ASP A 28 -12.344 -9.424 -2.522 1.00 0.00 C ATOM 444 O ASP A 28 -12.701 -9.873 -1.432 1.00 0.00 O ATOM 445 CB ASP A 28 -13.529 -11.387 -3.495 1.00 0.00 C ATOM 446 CG ASP A 28 -13.489 -12.317 -4.704 1.00 0.00 C ATOM 447 OD1 ASP A 28 -12.855 -13.354 -4.608 1.00 0.00 O ATOM 448 OD2 ASP A 28 -14.098 -11.980 -5.707 1.00 0.00 O ATOM 0 H ASP A 28 -11.743 -9.658 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.550 -9.383 -4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.036 -11.862 -2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.563 -11.205 -3.202 1.00 0.00 H new ATOM 453 N LEU A 29 -11.535 -8.370 -2.640 1.00 0.00 N ATOM 454 CA LEU A 29 -11.026 -7.686 -1.455 1.00 0.00 C ATOM 455 C LEU A 29 -11.770 -6.377 -1.252 1.00 0.00 C ATOM 456 O LEU A 29 -11.711 -5.780 -0.193 1.00 0.00 O ATOM 457 CB LEU A 29 -9.514 -7.405 -1.557 1.00 0.00 C ATOM 458 CG LEU A 29 -8.683 -8.630 -1.118 1.00 0.00 C ATOM 459 CD1 LEU A 29 -8.521 -8.647 0.401 1.00 0.00 C ATOM 460 CD2 LEU A 29 -9.343 -9.941 -1.558 1.00 0.00 C ATOM 0 H LEU A 29 -11.224 -7.978 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.189 -8.345 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.260 -7.140 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.259 -6.548 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.707 -8.547 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.933 -9.517 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.011 -7.739 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.503 -8.698 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.732 -10.783 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.334 -10.018 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.433 -9.956 -2.644 1.00 0.00 H new ATOM 472 N LYS A 30 -12.482 -5.934 -2.269 1.00 0.00 N ATOM 473 CA LYS A 30 -13.230 -4.696 -2.154 1.00 0.00 C ATOM 474 C LYS A 30 -14.093 -4.716 -0.890 1.00 0.00 C ATOM 475 O LYS A 30 -14.419 -3.668 -0.334 1.00 0.00 O ATOM 476 CB LYS A 30 -14.112 -4.467 -3.403 1.00 0.00 C ATOM 477 CG LYS A 30 -14.746 -5.782 -3.928 1.00 0.00 C ATOM 478 CD LYS A 30 -16.105 -6.003 -3.263 1.00 0.00 C ATOM 479 CE LYS A 30 -16.511 -7.473 -3.390 1.00 0.00 C ATOM 480 NZ LYS A 30 -17.997 -7.578 -3.414 1.00 0.00 N ATOM 0 H LYS A 30 -12.559 -6.403 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.520 -3.872 -2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.903 -3.757 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.510 -4.017 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.864 -5.733 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.087 -6.624 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.056 -5.719 -2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.857 -5.367 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.091 -7.900 -4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.109 -8.046 -2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.273 -8.577 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.387 -7.186 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.370 -7.045 -4.225 1.00 0.00 H new ATOM 494 N GLU A 31 -14.450 -5.917 -0.440 1.00 0.00 N ATOM 495 CA GLU A 31 -15.267 -6.066 0.762 1.00 0.00 C ATOM 496 C GLU A 31 -14.400 -5.910 2.011 1.00 0.00 C ATOM 497 O GLU A 31 -14.899 -5.675 3.111 1.00 0.00 O ATOM 498 CB GLU A 31 -15.962 -7.438 0.761 1.00 0.00 C ATOM 499 CG GLU A 31 -15.276 -8.390 1.740 1.00 0.00 C ATOM 500 CD GLU A 31 -15.811 -9.808 1.547 1.00 0.00 C ATOM 501 OE1 GLU A 31 -15.164 -10.573 0.849 1.00 0.00 O ATOM 502 OE2 GLU A 31 -16.858 -10.107 2.098 1.00 0.00 O ATOM 0 H GLU A 31 -14.188 -6.796 -0.886 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.030 -5.288 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.011 -7.321 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.940 -7.862 -0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.198 -8.374 1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.452 -8.062 2.764 1.00 0.00 H new ATOM 509 N LEU A 32 -13.099 -6.075 1.833 1.00 0.00 N ATOM 510 CA LEU A 32 -12.169 -5.971 2.934 1.00 0.00 C ATOM 511 C LEU A 32 -11.824 -4.505 3.181 1.00 0.00 C ATOM 512 O LEU A 32 -11.595 -4.074 4.314 1.00 0.00 O ATOM 513 CB LEU A 32 -10.910 -6.797 2.601 1.00 0.00 C ATOM 514 CG LEU A 32 -9.669 -6.234 3.310 1.00 0.00 C ATOM 515 CD1 LEU A 32 -8.748 -7.376 3.731 1.00 0.00 C ATOM 516 CD2 LEU A 32 -8.873 -5.299 2.412 1.00 0.00 C ATOM 0 H LEU A 32 -12.667 -6.282 0.932 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.615 -6.366 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.063 -7.834 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.747 -6.797 1.523 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.025 -5.676 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.870 -6.969 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.280 -8.040 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.435 -7.935 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.005 -4.925 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.541 -5.840 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.502 -4.461 2.111 1.00 0.00 H new ATOM 528 N LEU A 33 -11.759 -3.754 2.111 1.00 0.00 N ATOM 529 CA LEU A 33 -11.404 -2.352 2.199 1.00 0.00 C ATOM 530 C LEU A 33 -12.472 -1.560 2.958 1.00 0.00 C ATOM 531 O LEU A 33 -12.188 -0.495 3.507 1.00 0.00 O ATOM 532 CB LEU A 33 -11.235 -1.756 0.790 1.00 0.00 C ATOM 533 CG LEU A 33 -9.834 -2.007 0.192 1.00 0.00 C ATOM 534 CD1 LEU A 33 -8.727 -1.535 1.115 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.618 -3.478 -0.129 1.00 0.00 C ATOM 0 H LEU A 33 -11.947 -4.086 1.165 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.462 -2.281 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.988 -2.183 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.419 -0.682 0.831 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.792 -1.427 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.760 -1.732 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.833 -0.465 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.792 -2.069 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.621 -3.616 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.713 -4.067 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.364 -3.806 -0.852 1.00 0.00 H new ATOM 547 N THR A 34 -13.697 -2.076 2.977 1.00 0.00 N ATOM 548 CA THR A 34 -14.789 -1.395 3.663 1.00 0.00 C ATOM 549 C THR A 34 -14.880 -1.834 5.121 1.00 0.00 C ATOM 550 O THR A 34 -15.839 -1.501 5.814 1.00 0.00 O ATOM 551 CB THR A 34 -16.115 -1.679 2.943 1.00 0.00 C ATOM 552 OG1 THR A 34 -17.171 -0.984 3.591 1.00 0.00 O ATOM 553 CG2 THR A 34 -16.410 -3.175 2.943 1.00 0.00 C ATOM 0 H THR A 34 -13.957 -2.955 2.530 1.00 0.00 H new ATOM 0 HA THR A 34 -14.590 -0.323 3.644 1.00 0.00 H new ATOM 0 HB THR A 34 -16.033 -1.337 1.911 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.041 -1.022 4.562 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.353 -3.360 2.429 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.607 -3.704 2.430 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.481 -3.532 3.970 1.00 0.00 H new ATOM 561 N GLN A 35 -13.884 -2.592 5.582 1.00 0.00 N ATOM 562 CA GLN A 35 -13.884 -3.074 6.960 1.00 0.00 C ATOM 563 C GLN A 35 -13.484 -1.963 7.944 1.00 0.00 C ATOM 564 O GLN A 35 -12.640 -1.125 7.624 1.00 0.00 O ATOM 565 CB GLN A 35 -12.908 -4.235 7.098 1.00 0.00 C ATOM 566 CG GLN A 35 -13.342 -5.353 6.162 1.00 0.00 C ATOM 567 CD GLN A 35 -14.604 -6.026 6.681 1.00 0.00 C ATOM 568 OE1 GLN A 35 -14.634 -6.514 7.810 1.00 0.00 O ATOM 569 NE2 GLN A 35 -15.657 -6.079 5.908 1.00 0.00 N ATOM 0 H GLN A 35 -13.078 -2.881 5.028 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.896 -3.400 7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.897 -3.909 6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.888 -4.591 8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.522 -4.951 5.165 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.543 -6.088 6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.624 -5.672 4.973 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.511 -6.527 6.240 1.00 0.00 H new ATOM 578 N PRO A 36 -14.053 -1.945 9.132 1.00 0.00 N ATOM 579 CA PRO A 36 -13.727 -0.919 10.168 1.00 0.00 C ATOM 580 C PRO A 36 -12.421 -1.209 10.904 1.00 0.00 C ATOM 581 O PRO A 36 -12.257 -2.269 11.507 1.00 0.00 O ATOM 582 CB PRO A 36 -14.905 -1.018 11.133 1.00 0.00 C ATOM 583 CG PRO A 36 -15.327 -2.446 11.064 1.00 0.00 C ATOM 584 CD PRO A 36 -15.073 -2.893 9.624 1.00 0.00 C ATOM 0 HA PRO A 36 -13.586 0.068 9.727 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.613 -0.739 12.145 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.715 -0.350 10.840 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.759 -3.055 11.767 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.379 -2.555 11.326 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.715 -3.922 9.582 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.983 -2.847 9.025 1.00 0.00 H new ATOM 592 N GLY A 37 -11.497 -0.257 10.859 1.00 0.00 N ATOM 593 CA GLY A 37 -10.220 -0.412 11.531 1.00 0.00 C ATOM 594 C GLY A 37 -9.202 0.537 10.932 1.00 0.00 C ATOM 595 O GLY A 37 -9.436 1.101 9.868 1.00 0.00 O ATOM 0 H GLY A 37 -11.611 0.628 10.364 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.334 -0.212 12.596 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.872 -1.440 11.435 1.00 0.00 H new ATOM 599 N ASP A 38 -8.078 0.708 11.611 1.00 0.00 N ATOM 600 CA ASP A 38 -7.026 1.592 11.115 1.00 0.00 C ATOM 601 C ASP A 38 -5.853 0.765 10.608 1.00 0.00 C ATOM 602 O ASP A 38 -5.163 0.109 11.388 1.00 0.00 O ATOM 603 CB ASP A 38 -6.546 2.512 12.239 1.00 0.00 C ATOM 604 CG ASP A 38 -7.188 2.102 13.561 1.00 0.00 C ATOM 605 OD1 ASP A 38 -6.504 1.481 14.360 1.00 0.00 O ATOM 606 OD2 ASP A 38 -8.350 2.413 13.756 1.00 0.00 O ATOM 0 H ASP A 38 -7.869 0.252 12.499 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.427 2.194 10.299 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.460 2.462 12.322 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.801 3.546 12.007 1.00 0.00 H new ATOM 611 N TRP A 39 -5.634 0.793 9.295 1.00 0.00 N ATOM 612 CA TRP A 39 -4.536 0.030 8.697 1.00 0.00 C ATOM 613 C TRP A 39 -3.765 0.902 7.701 1.00 0.00 C ATOM 614 O TRP A 39 -4.232 1.973 7.308 1.00 0.00 O ATOM 615 CB TRP A 39 -5.061 -1.220 7.965 1.00 0.00 C ATOM 616 CG TRP A 39 -5.733 -2.182 8.913 1.00 0.00 C ATOM 617 CD1 TRP A 39 -6.820 -1.903 9.647 1.00 0.00 C ATOM 618 CD2 TRP A 39 -5.400 -3.574 9.210 1.00 0.00 C ATOM 619 NE1 TRP A 39 -7.173 -3.014 10.390 1.00 0.00 N ATOM 620 CE2 TRP A 39 -6.327 -4.071 10.155 1.00 0.00 C ATOM 621 CE3 TRP A 39 -4.390 -4.435 8.765 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -6.254 -5.377 10.639 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -4.311 -5.752 9.246 1.00 0.00 C ATOM 624 CH2 TRP A 39 -5.242 -6.222 10.182 1.00 0.00 C ATOM 0 H TRP A 39 -6.193 1.328 8.630 1.00 0.00 H new ATOM 0 HA TRP A 39 -3.875 -0.284 9.505 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.767 -0.919 7.191 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.234 -1.722 7.463 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.340 -0.956 9.656 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.964 -3.045 11.033 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.665 -4.083 8.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -6.975 -5.731 11.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.528 -6.407 8.892 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -5.176 -7.236 10.549 1.00 0.00 H new ATOM 635 N THR A 40 -2.583 0.435 7.303 1.00 0.00 N ATOM 636 CA THR A 40 -1.748 1.172 6.357 1.00 0.00 C ATOM 637 C THR A 40 -1.777 0.508 4.977 1.00 0.00 C ATOM 638 O THR A 40 -1.308 -0.620 4.808 1.00 0.00 O ATOM 639 CB THR A 40 -0.306 1.239 6.877 1.00 0.00 C ATOM 640 OG1 THR A 40 -0.320 1.326 8.295 1.00 0.00 O ATOM 641 CG2 THR A 40 0.408 2.468 6.303 1.00 0.00 C ATOM 0 H THR A 40 -2.183 -0.448 7.620 1.00 0.00 H new ATOM 0 HA THR A 40 -2.143 2.183 6.260 1.00 0.00 H new ATOM 0 HB THR A 40 0.225 0.340 6.565 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.121 2.155 8.576 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.430 2.504 6.680 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.424 2.404 5.215 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.122 3.371 6.606 1.00 0.00 H new ATOM 649 N LEU A 41 -2.345 1.223 4.001 1.00 0.00 N ATOM 650 CA LEU A 41 -2.458 0.715 2.632 1.00 0.00 C ATOM 651 C LEU A 41 -1.306 1.227 1.766 1.00 0.00 C ATOM 652 O LEU A 41 -1.132 2.434 1.619 1.00 0.00 O ATOM 653 CB LEU A 41 -3.812 1.165 2.038 1.00 0.00 C ATOM 654 CG LEU A 41 -3.722 1.380 0.514 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.245 0.103 -0.164 1.00 0.00 C ATOM 656 CD2 LEU A 41 -5.099 1.744 -0.034 1.00 0.00 C ATOM 0 H LEU A 41 -2.734 2.156 4.135 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.407 -0.374 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.572 0.415 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.131 2.090 2.518 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.016 2.186 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.184 0.263 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.261 -0.166 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.948 -0.704 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.033 1.896 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.800 0.936 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.449 2.661 0.441 1.00 0.00 H new ATOM 668 N PHE A 42 -0.545 0.309 1.174 1.00 0.00 N ATOM 669 CA PHE A 42 0.572 0.694 0.307 1.00 0.00 C ATOM 670 C PHE A 42 0.187 0.540 -1.166 1.00 0.00 C ATOM 671 O PHE A 42 -0.081 -0.571 -1.625 1.00 0.00 O ATOM 672 CB PHE A 42 1.781 -0.181 0.613 1.00 0.00 C ATOM 673 CG PHE A 42 2.624 0.483 1.677 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.145 0.594 2.992 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.890 0.981 1.353 1.00 0.00 C ATOM 676 CE1 PHE A 42 2.933 1.202 3.974 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.676 1.592 2.337 1.00 0.00 C ATOM 678 CZ PHE A 42 4.198 1.702 3.648 1.00 0.00 C ATOM 0 H PHE A 42 -0.677 -0.697 1.276 1.00 0.00 H new ATOM 0 HA PHE A 42 0.817 1.739 0.497 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.456 -1.164 0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.371 -0.335 -0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.168 0.210 3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.262 0.894 0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.564 1.286 4.986 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.652 1.979 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.805 2.172 4.407 1.00 0.00 H new ATOM 688 N VAL A 43 0.138 1.664 -1.893 1.00 0.00 N ATOM 689 CA VAL A 43 -0.247 1.635 -3.305 1.00 0.00 C ATOM 690 C VAL A 43 0.798 2.321 -4.204 1.00 0.00 C ATOM 691 O VAL A 43 0.992 3.530 -4.111 1.00 0.00 O ATOM 692 CB VAL A 43 -1.602 2.326 -3.496 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.597 3.732 -2.892 1.00 0.00 C ATOM 694 CG2 VAL A 43 -1.916 2.421 -4.989 1.00 0.00 C ATOM 0 H VAL A 43 0.357 2.592 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.313 0.587 -3.598 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.362 1.735 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.571 4.196 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.387 3.669 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.829 4.334 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.879 2.912 -5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.139 2.999 -5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.954 1.419 -5.417 1.00 0.00 H new ATOM 704 N PRO A 44 1.460 1.595 -5.082 1.00 0.00 N ATOM 705 CA PRO A 44 2.466 2.191 -6.005 1.00 0.00 C ATOM 706 C PRO A 44 1.796 2.811 -7.231 1.00 0.00 C ATOM 707 O PRO A 44 0.801 2.284 -7.732 1.00 0.00 O ATOM 708 CB PRO A 44 3.330 0.999 -6.397 1.00 0.00 C ATOM 709 CG PRO A 44 2.416 -0.178 -6.344 1.00 0.00 C ATOM 710 CD PRO A 44 1.340 0.142 -5.305 1.00 0.00 C ATOM 0 HA PRO A 44 3.035 3.000 -5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.750 1.128 -7.395 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.169 0.878 -5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.968 -0.363 -7.320 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.963 -1.080 -6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.347 -0.123 -5.668 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.501 -0.416 -4.382 1.00 0.00 H new ATOM 718 N THR A 45 2.326 3.933 -7.705 1.00 0.00 N ATOM 719 CA THR A 45 1.737 4.606 -8.862 1.00 0.00 C ATOM 720 C THR A 45 2.049 3.871 -10.166 1.00 0.00 C ATOM 721 O THR A 45 2.765 2.871 -10.187 1.00 0.00 O ATOM 722 CB THR A 45 2.251 6.044 -8.936 1.00 0.00 C ATOM 723 OG1 THR A 45 3.609 6.083 -8.516 1.00 0.00 O ATOM 724 CG2 THR A 45 1.401 6.923 -8.020 1.00 0.00 C ATOM 0 H THR A 45 3.149 4.392 -7.315 1.00 0.00 H new ATOM 0 HA THR A 45 0.654 4.606 -8.736 1.00 0.00 H new ATOM 0 HB THR A 45 2.183 6.411 -9.960 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.940 7.004 -8.564 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.760 7.951 -8.066 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.361 6.887 -8.344 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.474 6.559 -6.995 1.00 0.00 H new ATOM 732 N ASN A 46 1.505 4.374 -11.267 1.00 0.00 N ATOM 733 CA ASN A 46 1.743 3.748 -12.559 1.00 0.00 C ATOM 734 C ASN A 46 3.229 3.798 -12.899 1.00 0.00 C ATOM 735 O ASN A 46 3.770 2.873 -13.505 1.00 0.00 O ATOM 736 CB ASN A 46 0.939 4.459 -13.647 1.00 0.00 C ATOM 737 CG ASN A 46 0.646 3.489 -14.787 1.00 0.00 C ATOM 738 OD1 ASN A 46 -0.279 2.682 -14.694 1.00 0.00 O ATOM 739 ND2 ASN A 46 1.385 3.517 -15.863 1.00 0.00 N ATOM 0 H ASN A 46 0.906 5.199 -11.292 1.00 0.00 H new ATOM 0 HA ASN A 46 1.424 2.707 -12.506 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.006 4.840 -13.232 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.496 5.318 -14.022 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.196 2.870 -16.628 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.151 4.186 -15.938 1.00 0.00 H new ATOM 746 N ASP A 47 3.882 4.886 -12.498 1.00 0.00 N ATOM 747 CA ASP A 47 5.308 5.050 -12.758 1.00 0.00 C ATOM 748 C ASP A 47 6.109 3.950 -12.072 1.00 0.00 C ATOM 749 O ASP A 47 7.263 3.699 -12.414 1.00 0.00 O ATOM 750 CB ASP A 47 5.774 6.414 -12.249 1.00 0.00 C ATOM 751 CG ASP A 47 5.191 7.522 -13.120 1.00 0.00 C ATOM 752 OD1 ASP A 47 4.032 7.411 -13.488 1.00 0.00 O ATOM 753 OD2 ASP A 47 5.912 8.463 -13.408 1.00 0.00 O ATOM 0 H ASP A 47 3.450 5.661 -11.996 1.00 0.00 H new ATOM 0 HA ASP A 47 5.473 4.985 -13.834 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.462 6.551 -11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.863 6.464 -12.263 1.00 0.00 H new ATOM 758 N ALA A 48 5.486 3.291 -11.112 1.00 0.00 N ATOM 759 CA ALA A 48 6.140 2.210 -10.392 1.00 0.00 C ATOM 760 C ALA A 48 5.839 0.866 -11.040 1.00 0.00 C ATOM 761 O ALA A 48 6.628 -0.075 -10.943 1.00 0.00 O ATOM 762 CB ALA A 48 5.656 2.204 -8.957 1.00 0.00 C ATOM 0 H ALA A 48 4.530 3.484 -10.812 1.00 0.00 H new ATOM 0 HA ALA A 48 7.218 2.370 -10.422 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.143 1.395 -8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.900 3.157 -8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.576 2.056 -8.938 1.00 0.00 H new ATOM 768 N PHE A 49 4.678 0.778 -11.680 1.00 0.00 N ATOM 769 CA PHE A 49 4.262 -0.466 -12.321 1.00 0.00 C ATOM 770 C PHE A 49 5.017 -0.706 -13.624 1.00 0.00 C ATOM 771 O PHE A 49 5.192 -1.851 -14.045 1.00 0.00 O ATOM 772 CB PHE A 49 2.762 -0.428 -12.616 1.00 0.00 C ATOM 773 CG PHE A 49 2.524 -0.799 -14.062 1.00 0.00 C ATOM 774 CD1 PHE A 49 2.261 0.200 -15.006 1.00 0.00 C ATOM 775 CD2 PHE A 49 2.565 -2.143 -14.460 1.00 0.00 C ATOM 776 CE1 PHE A 49 2.039 -0.142 -16.347 1.00 0.00 C ATOM 777 CE2 PHE A 49 2.343 -2.485 -15.800 1.00 0.00 C ATOM 778 CZ PHE A 49 2.079 -1.486 -16.743 1.00 0.00 C ATOM 0 H PHE A 49 4.012 1.546 -11.769 1.00 0.00 H new ATOM 0 HA PHE A 49 4.489 -1.280 -11.633 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.234 -1.120 -11.960 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.366 0.567 -12.415 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.229 1.236 -14.701 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.768 -2.915 -13.733 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.837 0.630 -17.075 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.376 -3.520 -16.105 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.906 -1.750 -17.776 1.00 0.00 H new ATOM 788 N LYS A 50 5.450 0.374 -14.262 1.00 0.00 N ATOM 789 CA LYS A 50 6.174 0.259 -15.530 1.00 0.00 C ATOM 790 C LYS A 50 7.418 -0.605 -15.369 1.00 0.00 C ATOM 791 O LYS A 50 8.380 -0.207 -14.711 1.00 0.00 O ATOM 792 CB LYS A 50 6.581 1.642 -16.052 1.00 0.00 C ATOM 793 CG LYS A 50 7.002 2.526 -14.878 1.00 0.00 C ATOM 794 CD LYS A 50 7.469 3.891 -15.386 1.00 0.00 C ATOM 795 CE LYS A 50 8.700 3.726 -16.284 1.00 0.00 C ATOM 796 NZ LYS A 50 8.275 3.647 -17.710 1.00 0.00 N ATOM 0 H LYS A 50 5.317 1.330 -13.931 1.00 0.00 H new ATOM 0 HA LYS A 50 5.504 -0.212 -16.249 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.402 1.547 -16.762 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.749 2.100 -16.586 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.166 2.652 -14.190 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.804 2.044 -14.319 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.666 4.375 -15.942 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.709 4.539 -14.543 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.380 4.566 -16.143 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.246 2.824 -16.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.666 2.785 -18.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.237 3.620 -17.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.626 4.481 -18.223 1.00 0.00 H new ATOM 810 N GLY A 51 7.394 -1.786 -15.979 1.00 0.00 N ATOM 811 CA GLY A 51 8.528 -2.701 -15.902 1.00 0.00 C ATOM 812 C GLY A 51 8.060 -4.138 -15.700 1.00 0.00 C ATOM 813 O GLY A 51 8.757 -5.084 -16.066 1.00 0.00 O ATOM 0 H GLY A 51 6.607 -2.131 -16.529 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.118 -2.632 -16.816 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.180 -2.408 -15.079 1.00 0.00 H new ATOM 817 N MET A 52 6.877 -4.293 -15.114 1.00 0.00 N ATOM 818 CA MET A 52 6.327 -5.621 -14.867 1.00 0.00 C ATOM 819 C MET A 52 6.184 -6.390 -16.175 1.00 0.00 C ATOM 820 O MET A 52 5.292 -6.115 -16.978 1.00 0.00 O ATOM 821 CB MET A 52 4.960 -5.504 -14.183 1.00 0.00 C ATOM 822 CG MET A 52 4.956 -6.301 -12.875 1.00 0.00 C ATOM 823 SD MET A 52 3.444 -5.933 -11.949 1.00 0.00 S ATOM 824 CE MET A 52 4.242 -5.398 -10.413 1.00 0.00 C ATOM 0 H MET A 52 6.285 -3.523 -14.804 1.00 0.00 H new ATOM 0 HA MET A 52 7.011 -6.163 -14.214 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.734 -4.457 -13.981 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.179 -5.876 -14.847 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.015 -7.369 -13.087 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.832 -6.046 -12.278 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.481 -5.102 -9.691 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.830 -6.219 -10.003 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.896 -4.551 -10.619 1.00 0.00 H new ATOM 834 N THR A 53 7.073 -7.353 -16.376 1.00 0.00 N ATOM 835 CA THR A 53 7.053 -8.163 -17.586 1.00 0.00 C ATOM 836 C THR A 53 5.898 -9.157 -17.555 1.00 0.00 C ATOM 837 O THR A 53 5.344 -9.448 -16.493 1.00 0.00 O ATOM 838 CB THR A 53 8.374 -8.912 -17.721 1.00 0.00 C ATOM 839 OG1 THR A 53 8.565 -9.744 -16.585 1.00 0.00 O ATOM 840 CG2 THR A 53 9.512 -7.898 -17.815 1.00 0.00 C ATOM 0 H THR A 53 7.815 -7.592 -15.719 1.00 0.00 H new ATOM 0 HA THR A 53 6.915 -7.503 -18.443 1.00 0.00 H new ATOM 0 HB THR A 53 8.360 -9.531 -18.618 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.648 -10.677 -16.873 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.461 -8.425 -17.912 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.360 -7.260 -18.686 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.528 -7.284 -16.914 1.00 0.00 H new ATOM 848 N SER A 54 5.541 -9.674 -18.725 1.00 0.00 N ATOM 849 CA SER A 54 4.450 -10.634 -18.821 1.00 0.00 C ATOM 850 C SER A 54 4.736 -11.857 -17.956 1.00 0.00 C ATOM 851 O SER A 54 3.822 -12.472 -17.412 1.00 0.00 O ATOM 852 CB SER A 54 4.262 -11.068 -20.275 1.00 0.00 C ATOM 853 OG SER A 54 4.589 -12.446 -20.400 1.00 0.00 O ATOM 0 H SER A 54 5.988 -9.446 -19.613 1.00 0.00 H new ATOM 0 HA SER A 54 3.538 -10.156 -18.465 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.232 -10.897 -20.587 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.897 -10.471 -20.930 1.00 0.00 H new ATOM 0 HG SER A 54 4.468 -12.728 -21.331 1.00 0.00 H new ATOM 859 N GLU A 55 6.011 -12.203 -17.828 1.00 0.00 N ATOM 860 CA GLU A 55 6.398 -13.354 -17.022 1.00 0.00 C ATOM 861 C GLU A 55 6.219 -13.056 -15.537 1.00 0.00 C ATOM 862 O GLU A 55 5.701 -13.882 -14.786 1.00 0.00 O ATOM 863 CB GLU A 55 7.859 -13.717 -17.300 1.00 0.00 C ATOM 864 CG GLU A 55 8.121 -15.163 -16.869 1.00 0.00 C ATOM 865 CD GLU A 55 9.559 -15.550 -17.197 1.00 0.00 C ATOM 866 OE1 GLU A 55 10.104 -14.988 -18.132 1.00 0.00 O ATOM 867 OE2 GLU A 55 10.093 -16.404 -16.508 1.00 0.00 O ATOM 0 H GLU A 55 6.788 -11.709 -18.267 1.00 0.00 H new ATOM 0 HA GLU A 55 5.757 -14.193 -17.290 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.078 -13.598 -18.361 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.521 -13.040 -16.760 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.941 -15.271 -15.799 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.429 -15.834 -17.378 1.00 0.00 H new ATOM 874 N GLU A 56 6.651 -11.872 -15.120 1.00 0.00 N ATOM 875 CA GLU A 56 6.532 -11.478 -13.721 1.00 0.00 C ATOM 876 C GLU A 56 5.089 -11.608 -13.244 1.00 0.00 C ATOM 877 O GLU A 56 4.811 -12.294 -12.260 1.00 0.00 O ATOM 878 CB GLU A 56 6.998 -10.033 -13.545 1.00 0.00 C ATOM 879 CG GLU A 56 7.949 -9.947 -12.350 1.00 0.00 C ATOM 880 CD GLU A 56 8.218 -8.487 -12.000 1.00 0.00 C ATOM 881 OE1 GLU A 56 9.371 -8.092 -12.047 1.00 0.00 O ATOM 882 OE2 GLU A 56 7.268 -7.788 -11.693 1.00 0.00 O ATOM 0 H GLU A 56 7.083 -11.173 -15.724 1.00 0.00 H new ATOM 0 HA GLU A 56 7.160 -12.140 -13.125 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.500 -9.689 -14.449 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.140 -9.379 -13.389 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.515 -10.461 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.886 -10.452 -12.584 1.00 0.00 H new ATOM 889 N LYS A 57 4.175 -10.943 -13.945 1.00 0.00 N ATOM 890 CA LYS A 57 2.764 -10.991 -13.578 1.00 0.00 C ATOM 891 C LYS A 57 2.234 -12.424 -13.660 1.00 0.00 C ATOM 892 O LYS A 57 1.386 -12.826 -12.863 1.00 0.00 O ATOM 893 CB LYS A 57 1.951 -10.077 -14.501 1.00 0.00 C ATOM 894 CG LYS A 57 2.104 -10.545 -15.949 1.00 0.00 C ATOM 895 CD LYS A 57 1.368 -9.581 -16.891 1.00 0.00 C ATOM 896 CE LYS A 57 2.128 -8.250 -17.015 1.00 0.00 C ATOM 897 NZ LYS A 57 1.583 -7.272 -16.032 1.00 0.00 N ATOM 0 H LYS A 57 4.383 -10.370 -14.763 1.00 0.00 H new ATOM 0 HA LYS A 57 2.662 -10.643 -12.550 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.900 -10.093 -14.212 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.293 -9.047 -14.403 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.160 -10.592 -16.215 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.702 -11.552 -16.059 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.262 -10.037 -17.875 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.362 -9.396 -16.515 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.191 -8.408 -16.835 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.031 -7.857 -18.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.065 -6.524 -16.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.937 -7.760 -15.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.365 -6.848 -15.494 1.00 0.00 H new ATOM 911 N GLU A 58 2.739 -13.186 -14.628 1.00 0.00 N ATOM 912 CA GLU A 58 2.318 -14.566 -14.807 1.00 0.00 C ATOM 913 C GLU A 58 2.735 -15.421 -13.614 1.00 0.00 C ATOM 914 O GLU A 58 2.026 -16.341 -13.220 1.00 0.00 O ATOM 915 CB GLU A 58 2.947 -15.128 -16.082 1.00 0.00 C ATOM 916 CG GLU A 58 2.371 -16.508 -16.365 1.00 0.00 C ATOM 917 CD GLU A 58 3.491 -17.536 -16.466 1.00 0.00 C ATOM 918 OE1 GLU A 58 3.880 -17.852 -17.578 1.00 0.00 O ATOM 919 OE2 GLU A 58 3.943 -17.993 -15.429 1.00 0.00 O ATOM 0 H GLU A 58 3.439 -12.868 -15.298 1.00 0.00 H new ATOM 0 HA GLU A 58 1.231 -14.590 -14.886 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.751 -14.461 -16.922 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.029 -15.190 -15.970 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.679 -16.791 -15.572 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.801 -16.488 -17.294 1.00 0.00 H new ATOM 926 N ILE A 59 3.892 -15.119 -13.047 1.00 0.00 N ATOM 927 CA ILE A 59 4.385 -15.877 -11.904 1.00 0.00 C ATOM 928 C ILE A 59 3.510 -15.633 -10.677 1.00 0.00 C ATOM 929 O ILE A 59 3.497 -16.435 -9.743 1.00 0.00 O ATOM 930 CB ILE A 59 5.825 -15.471 -11.599 1.00 0.00 C ATOM 931 CG1 ILE A 59 6.750 -16.028 -12.686 1.00 0.00 C ATOM 932 CG2 ILE A 59 6.239 -16.032 -10.239 1.00 0.00 C ATOM 933 CD1 ILE A 59 7.964 -15.112 -12.850 1.00 0.00 C ATOM 0 H ILE A 59 4.503 -14.363 -13.354 1.00 0.00 H new ATOM 0 HA ILE A 59 4.349 -16.938 -12.150 1.00 0.00 H new ATOM 0 HB ILE A 59 5.900 -14.384 -11.578 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.075 -17.034 -12.420 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.211 -16.106 -13.630 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.267 -15.741 -10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.580 -15.636 -9.466 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.166 -17.119 -10.256 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.619 -15.512 -13.624 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.631 -14.114 -13.136 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.508 -15.056 -11.907 1.00 0.00 H new ATOM 945 N LEU A 60 2.787 -14.519 -10.686 1.00 0.00 N ATOM 946 CA LEU A 60 1.917 -14.170 -9.568 1.00 0.00 C ATOM 947 C LEU A 60 0.585 -14.917 -9.651 1.00 0.00 C ATOM 948 O LEU A 60 0.147 -15.543 -8.679 1.00 0.00 O ATOM 949 CB LEU A 60 1.652 -12.663 -9.572 1.00 0.00 C ATOM 950 CG LEU A 60 2.515 -11.985 -8.505 1.00 0.00 C ATOM 951 CD1 LEU A 60 3.988 -12.310 -8.755 1.00 0.00 C ATOM 952 CD2 LEU A 60 2.312 -10.467 -8.564 1.00 0.00 C ATOM 0 H LEU A 60 2.785 -13.844 -11.451 1.00 0.00 H new ATOM 0 HA LEU A 60 2.419 -14.459 -8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.877 -12.247 -10.554 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.597 -12.469 -9.378 1.00 0.00 H new ATOM 0 HG LEU A 60 2.223 -12.352 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.601 -11.827 -7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.136 -13.389 -8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.279 -11.946 -9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.928 -9.988 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.600 -10.099 -9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.263 -10.233 -8.382 1.00 0.00 H new ATOM 964 N ILE A 61 -0.059 -14.841 -10.817 1.00 0.00 N ATOM 965 CA ILE A 61 -1.341 -15.511 -11.013 1.00 0.00 C ATOM 966 C ILE A 61 -1.154 -17.025 -11.054 1.00 0.00 C ATOM 967 O ILE A 61 -2.113 -17.782 -10.911 1.00 0.00 O ATOM 968 CB ILE A 61 -1.996 -15.034 -12.315 1.00 0.00 C ATOM 969 CG1 ILE A 61 -1.167 -15.510 -13.509 1.00 0.00 C ATOM 970 CG2 ILE A 61 -2.063 -13.505 -12.327 1.00 0.00 C ATOM 971 CD1 ILE A 61 -1.872 -16.683 -14.192 1.00 0.00 C ATOM 0 H ILE A 61 0.283 -14.328 -11.630 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.990 -15.260 -10.174 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.004 -15.444 -12.381 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.030 -14.693 -14.218 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.174 -15.814 -13.177 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.529 -13.168 -13.253 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.653 -13.160 -11.478 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.055 -13.096 -12.258 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.278 -17.019 -15.042 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.986 -17.502 -13.482 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.855 -16.365 -14.539 1.00 0.00 H new ATOM 983 N ARG A 62 0.089 -17.460 -11.245 1.00 0.00 N ATOM 984 CA ARG A 62 0.385 -18.886 -11.295 1.00 0.00 C ATOM 985 C ARG A 62 -0.003 -19.555 -9.979 1.00 0.00 C ATOM 986 O ARG A 62 -0.282 -20.754 -9.940 1.00 0.00 O ATOM 987 CB ARG A 62 1.876 -19.105 -11.558 1.00 0.00 C ATOM 988 CG ARG A 62 2.135 -20.586 -11.838 1.00 0.00 C ATOM 989 CD ARG A 62 3.629 -20.803 -12.084 1.00 0.00 C ATOM 990 NE ARG A 62 3.967 -22.212 -11.923 1.00 0.00 N ATOM 991 CZ ARG A 62 5.219 -22.636 -12.060 1.00 0.00 C ATOM 992 NH1 ARG A 62 6.169 -21.787 -12.344 1.00 0.00 N ATOM 993 NH2 ARG A 62 5.499 -23.903 -11.911 1.00 0.00 N ATOM 0 H ARG A 62 0.899 -16.852 -11.366 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.193 -19.330 -12.105 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.198 -18.502 -12.407 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.459 -18.780 -10.696 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.803 -21.191 -10.994 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.561 -20.909 -12.707 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.891 -20.471 -13.089 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.211 -20.200 -11.387 1.00 0.00 H new ATOM 0 HE ARG A 62 3.231 -22.883 -11.702 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.951 -20.798 -12.461 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.130 -22.113 -12.449 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.757 -24.567 -11.690 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.460 -24.229 -12.016 1.00 0.00 H new ATOM 1007 N ASP A 63 -0.019 -18.771 -8.904 1.00 0.00 N ATOM 1008 CA ASP A 63 -0.374 -19.298 -7.590 1.00 0.00 C ATOM 1009 C ASP A 63 -1.329 -18.347 -6.874 1.00 0.00 C ATOM 1010 O ASP A 63 -1.012 -17.178 -6.661 1.00 0.00 O ATOM 1011 CB ASP A 63 0.889 -19.489 -6.744 1.00 0.00 C ATOM 1012 CG ASP A 63 1.410 -20.916 -6.891 1.00 0.00 C ATOM 1013 OD1 ASP A 63 1.383 -21.639 -5.909 1.00 0.00 O ATOM 1014 OD2 ASP A 63 1.833 -21.262 -7.983 1.00 0.00 O ATOM 0 H ASP A 63 0.208 -17.777 -8.916 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.868 -20.260 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.656 -18.780 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.669 -19.280 -5.697 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.500 -18.858 -6.507 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.496 -18.045 -5.816 1.00 0.00 C ATOM 1021 C LYS A 64 -2.857 -17.337 -4.628 1.00 0.00 C ATOM 1022 O LYS A 64 -3.105 -16.159 -4.393 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.665 -18.944 -5.353 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.519 -18.277 -4.246 1.00 0.00 C ATOM 1025 CD LYS A 64 -6.151 -16.972 -4.757 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.106 -17.278 -5.918 1.00 0.00 C ATOM 1027 NZ LYS A 64 -8.223 -16.287 -5.922 1.00 0.00 N ATOM 0 H LYS A 64 -2.782 -19.824 -6.675 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.884 -17.288 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.300 -19.178 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.268 -19.889 -4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.302 -18.963 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.896 -18.069 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.692 -16.478 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.372 -16.284 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.568 -17.238 -6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.503 -18.288 -5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.869 -16.496 -6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.742 -16.346 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.836 -15.328 -6.036 1.00 0.00 H new ATOM 1041 N ASN A 65 -2.041 -18.069 -3.881 1.00 0.00 N ATOM 1042 CA ASN A 65 -1.380 -17.515 -2.707 1.00 0.00 C ATOM 1043 C ASN A 65 -0.337 -16.472 -3.085 1.00 0.00 C ATOM 1044 O ASN A 65 -0.038 -15.575 -2.291 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.710 -18.640 -1.915 1.00 0.00 C ATOM 1046 CG ASN A 65 -1.507 -18.927 -0.650 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -0.935 -19.063 0.431 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -2.807 -19.025 -0.723 1.00 0.00 N ATOM 0 H ASN A 65 -1.821 -19.047 -4.067 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.140 -17.026 -2.097 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.646 -19.540 -2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.310 -18.357 -1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.352 -19.215 0.118 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.277 -18.912 -1.621 1.00 0.00 H new ATOM 1055 N ALA A 66 0.226 -16.591 -4.282 1.00 0.00 N ATOM 1056 CA ALA A 66 1.252 -15.648 -4.705 1.00 0.00 C ATOM 1057 C ALA A 66 0.654 -14.276 -4.993 1.00 0.00 C ATOM 1058 O ALA A 66 0.996 -13.285 -4.336 1.00 0.00 O ATOM 1059 CB ALA A 66 1.969 -16.167 -5.951 1.00 0.00 C ATOM 0 H ALA A 66 -0.004 -17.315 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 66 1.969 -15.549 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.733 -15.452 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.437 -17.126 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.248 -16.294 -6.759 1.00 0.00 H new ATOM 1065 N LEU A 67 -0.250 -14.206 -5.964 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.858 -12.928 -6.273 1.00 0.00 C ATOM 1067 C LEU A 67 -1.537 -12.377 -5.021 1.00 0.00 C ATOM 1068 O LEU A 67 -1.526 -11.174 -4.779 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.840 -13.049 -7.469 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.317 -13.037 -7.028 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -4.208 -12.942 -8.266 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.649 -14.323 -6.267 1.00 0.00 C ATOM 0 H LEU A 67 -0.567 -14.993 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.085 -12.224 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.665 -12.226 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.634 -13.972 -8.011 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.489 -12.181 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.255 -12.933 -7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.980 -12.025 -8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.026 -13.801 -8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.695 -14.304 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.476 -15.183 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.013 -14.398 -5.385 1.00 0.00 H new ATOM 1084 N GLN A 68 -2.143 -13.259 -4.228 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.836 -12.815 -3.031 1.00 0.00 C ATOM 1086 C GLN A 68 -1.875 -12.044 -2.134 1.00 0.00 C ATOM 1087 O GLN A 68 -2.133 -10.898 -1.734 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.410 -14.001 -2.251 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.906 -14.180 -2.566 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.743 -13.237 -1.717 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.744 -11.967 -2.000 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.401 -13.664 -0.768 1.00 0.00 N flip ATOM 0 H GLN A 68 -2.166 -14.265 -4.392 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.659 -12.170 -3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.867 -14.910 -2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.274 -13.840 -1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.087 -13.986 -3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.203 -15.211 -2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.396 -14.661 -0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.951 -13.021 -0.198 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.754 -12.680 -1.817 1.00 0.00 N ATOM 1102 CA ASN A 69 0.228 -12.039 -0.973 1.00 0.00 C ATOM 1103 C ASN A 69 0.516 -10.649 -1.514 1.00 0.00 C ATOM 1104 O ASN A 69 0.667 -9.694 -0.753 1.00 0.00 O ATOM 1105 CB ASN A 69 1.515 -12.867 -0.911 1.00 0.00 C ATOM 1106 CG ASN A 69 2.697 -12.038 -1.397 1.00 0.00 C ATOM 1107 OD1 ASN A 69 3.133 -11.113 -0.709 1.00 0.00 O ATOM 1108 ND2 ASN A 69 3.246 -12.314 -2.547 1.00 0.00 N ATOM 0 H ASN A 69 -0.511 -13.621 -2.128 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.166 -11.961 0.040 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.692 -13.202 0.111 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.411 -13.761 -1.526 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.038 -11.764 -2.879 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.883 -13.080 -3.115 1.00 0.00 H new ATOM 1115 N ILE A 70 0.574 -10.538 -2.839 1.00 0.00 N ATOM 1116 CA ILE A 70 0.829 -9.243 -3.466 1.00 0.00 C ATOM 1117 C ILE A 70 -0.423 -8.370 -3.444 1.00 0.00 C ATOM 1118 O ILE A 70 -0.329 -7.150 -3.337 1.00 0.00 O ATOM 1119 CB ILE A 70 1.283 -9.438 -4.914 1.00 0.00 C ATOM 1120 CG1 ILE A 70 2.551 -10.309 -4.955 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.559 -8.075 -5.558 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.675 -9.693 -4.106 1.00 0.00 C ATOM 0 H ILE A 70 0.450 -11.314 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 70 1.616 -8.745 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 70 0.493 -9.941 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.321 -11.309 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.888 -10.418 -5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.882 -8.218 -6.589 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.649 -7.475 -5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.342 -7.561 -5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.558 -10.330 -4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.920 -8.703 -4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.344 -9.609 -3.071 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.592 -8.988 -3.552 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.831 -8.221 -3.548 1.00 0.00 C ATOM 1136 C ILE A 71 -2.885 -7.318 -2.328 1.00 0.00 C ATOM 1137 O ILE A 71 -3.347 -6.184 -2.405 1.00 0.00 O ATOM 1138 CB ILE A 71 -4.047 -9.153 -3.555 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.255 -9.690 -4.977 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.298 -8.400 -3.080 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.168 -8.750 -5.760 1.00 0.00 C ATOM 0 H ILE A 71 -1.709 -9.997 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.855 -7.609 -4.450 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.873 -9.986 -2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.294 -9.783 -5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.693 -10.687 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.154 -9.074 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.138 -8.032 -2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.491 -7.559 -3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.311 -9.138 -6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.133 -8.679 -5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.713 -7.761 -5.813 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.422 -7.825 -1.193 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.444 -7.031 0.028 1.00 0.00 C ATOM 1155 C LEU A 72 -1.393 -5.927 -0.006 1.00 0.00 C ATOM 1156 O LEU A 72 -1.294 -5.132 0.928 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.193 -7.932 1.223 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.259 -9.019 1.251 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.587 -10.378 1.401 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.191 -8.762 2.432 1.00 0.00 C ATOM 0 H LEU A 72 -2.034 -8.763 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.425 -6.563 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.201 -8.378 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.221 -7.352 2.145 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.834 -9.008 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.347 -11.159 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.916 -10.547 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.017 -10.402 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.960 -9.534 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.618 -8.783 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.662 -7.786 2.318 1.00 0.00 H new ATOM 1172 N TYR A 73 -0.616 -5.880 -1.079 1.00 0.00 N ATOM 1173 CA TYR A 73 0.419 -4.863 -1.211 1.00 0.00 C ATOM 1174 C TYR A 73 1.133 -4.630 0.121 1.00 0.00 C ATOM 1175 O TYR A 73 1.512 -3.500 0.428 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.198 -3.543 -1.672 1.00 0.00 C ATOM 1177 CG TYR A 73 -1.428 -3.800 -2.518 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -1.309 -4.451 -3.753 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -2.687 -3.378 -2.070 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -2.447 -4.678 -4.539 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -3.825 -3.606 -2.856 1.00 0.00 C ATOM 1182 CZ TYR A 73 -3.705 -4.255 -4.091 1.00 0.00 C ATOM 1183 OH TYR A 73 -4.826 -4.480 -4.863 1.00 0.00 O ATOM 0 H TYR A 73 -0.681 -6.528 -1.864 1.00 0.00 H new ATOM 0 HA TYR A 73 1.141 -5.218 -1.947 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.465 -2.937 -0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.533 -2.974 -2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.340 -4.778 -4.099 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.781 -2.877 -1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.354 -5.180 -5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.795 -3.281 -2.509 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.988 -3.704 -5.439 1.00 0.00 H new ATOM 1193 N HIS A 74 1.300 -5.692 0.909 1.00 0.00 N ATOM 1194 CA HIS A 74 1.961 -5.573 2.210 1.00 0.00 C ATOM 1195 C HIS A 74 1.097 -4.763 3.168 1.00 0.00 C ATOM 1196 O HIS A 74 1.590 -3.889 3.883 1.00 0.00 O ATOM 1197 CB HIS A 74 3.338 -4.913 2.055 1.00 0.00 C ATOM 1198 CG HIS A 74 4.035 -5.492 0.854 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.767 -5.064 -0.437 1.00 0.00 N ATOM 1200 CD2 HIS A 74 4.988 -6.473 0.732 1.00 0.00 C ATOM 1201 CE1 HIS A 74 4.542 -5.780 -1.272 1.00 0.00 C ATOM 1202 NE2 HIS A 74 5.307 -6.654 -0.611 1.00 0.00 N ATOM 0 H HIS A 74 0.991 -6.635 0.674 1.00 0.00 H new ATOM 0 HA HIS A 74 2.099 -6.574 2.620 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.226 -3.835 1.940 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.936 -5.078 2.951 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.424 -7.021 1.554 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.545 -5.663 -2.346 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.979 -7.312 -1.005 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.198 -5.067 3.181 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.128 -4.369 4.062 1.00 0.00 C ATOM 1213 C LEU A 75 -0.696 -4.554 5.512 1.00 0.00 C ATOM 1214 O LEU A 75 -0.279 -5.645 5.901 1.00 0.00 O ATOM 1215 CB LEU A 75 -2.550 -4.922 3.871 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.503 -4.371 4.943 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -3.552 -2.850 4.864 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -4.908 -4.932 4.708 1.00 0.00 C ATOM 0 H LEU A 75 -0.624 -5.786 2.596 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.124 -3.307 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.918 -4.655 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.531 -6.011 3.921 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.143 -4.669 5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.230 -2.468 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.554 -2.445 5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.908 -2.548 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.587 -4.543 5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.259 -4.633 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.880 -6.020 4.769 1.00 0.00 H new ATOM 1230 N THR A 76 -0.786 -3.488 6.298 1.00 0.00 N ATOM 1231 CA THR A 76 -0.384 -3.553 7.695 1.00 0.00 C ATOM 1232 C THR A 76 -1.428 -2.893 8.608 1.00 0.00 C ATOM 1233 O THR A 76 -2.047 -1.913 8.218 1.00 0.00 O ATOM 1234 CB THR A 76 0.951 -2.817 7.817 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.971 -3.741 8.156 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.888 -1.711 8.881 1.00 0.00 C ATOM 0 H THR A 76 -1.130 -2.577 5.995 1.00 0.00 H new ATOM 0 HA THR A 76 -0.294 -4.594 8.006 1.00 0.00 H new ATOM 0 HB THR A 76 1.170 -2.351 6.856 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.734 -3.260 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.853 -1.209 8.941 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.119 -0.988 8.609 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.647 -2.151 9.849 1.00 0.00 H new ATOM 1244 N PRO A 77 -1.608 -3.368 9.824 1.00 0.00 N ATOM 1245 CA PRO A 77 -2.570 -2.742 10.781 1.00 0.00 C ATOM 1246 C PRO A 77 -1.969 -1.546 11.504 1.00 0.00 C ATOM 1247 O PRO A 77 -0.752 -1.443 11.657 1.00 0.00 O ATOM 1248 CB PRO A 77 -2.866 -3.867 11.765 1.00 0.00 C ATOM 1249 CG PRO A 77 -1.608 -4.674 11.809 1.00 0.00 C ATOM 1250 CD PRO A 77 -0.949 -4.544 10.429 1.00 0.00 C ATOM 0 HA PRO A 77 -3.455 -2.353 10.277 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.120 -3.475 12.750 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.712 -4.470 11.434 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.942 -4.309 12.591 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.826 -5.717 12.037 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.128 -4.398 10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.103 -5.440 9.828 1.00 0.00 H new ATOM 1258 N GLY A 78 -2.836 -0.645 11.946 1.00 0.00 N ATOM 1259 CA GLY A 78 -2.382 0.544 12.656 1.00 0.00 C ATOM 1260 C GLY A 78 -1.777 1.557 11.693 1.00 0.00 C ATOM 1261 O GLY A 78 -0.712 1.327 11.117 1.00 0.00 O ATOM 0 H GLY A 78 -3.847 -0.712 11.828 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.219 0.997 13.187 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.643 0.264 13.406 1.00 0.00 H new ATOM 1265 N VAL A 79 -2.466 2.678 11.519 1.00 0.00 N ATOM 1266 CA VAL A 79 -1.993 3.722 10.619 1.00 0.00 C ATOM 1267 C VAL A 79 -0.642 4.268 11.074 1.00 0.00 C ATOM 1268 O VAL A 79 -0.400 4.446 12.268 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.008 4.862 10.566 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -4.271 4.398 9.837 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.377 5.285 11.987 1.00 0.00 C ATOM 0 H VAL A 79 -3.349 2.887 11.986 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.876 3.285 9.627 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.569 5.705 10.033 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.992 5.215 9.802 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.015 4.096 8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.707 3.552 10.368 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.101 6.099 11.948 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.811 4.438 12.518 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.482 5.621 12.511 1.00 0.00 H new ATOM 1281 N PHE A 80 0.232 4.535 10.109 1.00 0.00 N ATOM 1282 CA PHE A 80 1.554 5.066 10.416 1.00 0.00 C ATOM 1283 C PHE A 80 1.505 6.586 10.537 1.00 0.00 C ATOM 1284 O PHE A 80 1.147 7.279 9.585 1.00 0.00 O ATOM 1285 CB PHE A 80 2.548 4.670 9.325 1.00 0.00 C ATOM 1286 CG PHE A 80 3.395 3.533 9.832 1.00 0.00 C ATOM 1287 CD1 PHE A 80 3.035 2.214 9.544 1.00 0.00 C ATOM 1288 CD2 PHE A 80 4.534 3.797 10.602 1.00 0.00 C ATOM 1289 CE1 PHE A 80 3.811 1.158 10.025 1.00 0.00 C ATOM 1290 CE2 PHE A 80 5.313 2.739 11.082 1.00 0.00 C ATOM 1291 CZ PHE A 80 4.949 1.420 10.793 1.00 0.00 C ATOM 0 H PHE A 80 0.050 4.394 9.115 1.00 0.00 H new ATOM 0 HA PHE A 80 1.879 4.646 11.368 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.017 4.372 8.421 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.176 5.520 9.060 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.156 2.012 8.949 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.811 4.817 10.825 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.532 0.138 9.804 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.193 2.940 11.674 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.549 0.602 11.164 1.00 0.00 H new ATOM 1301 N ILE A 81 1.865 7.094 11.714 1.00 0.00 N ATOM 1302 CA ILE A 81 1.856 8.535 11.953 1.00 0.00 C ATOM 1303 C ILE A 81 3.233 9.015 12.403 1.00 0.00 C ATOM 1304 O ILE A 81 3.984 8.273 13.036 1.00 0.00 O ATOM 1305 CB ILE A 81 0.820 8.880 13.026 1.00 0.00 C ATOM 1306 CG1 ILE A 81 -0.445 8.048 12.802 1.00 0.00 C ATOM 1307 CG2 ILE A 81 0.470 10.367 12.939 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -1.509 8.455 13.823 1.00 0.00 C ATOM 0 H ILE A 81 2.165 6.533 12.512 1.00 0.00 H new ATOM 0 HA ILE A 81 1.596 9.036 11.020 1.00 0.00 H new ATOM 0 HB ILE A 81 1.232 8.659 14.011 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.819 8.201 11.790 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.218 6.987 12.901 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.268 10.612 13.703 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.369 10.962 13.098 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.059 10.587 11.954 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.411 7.863 13.665 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.132 8.280 14.831 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.743 9.513 13.702 1.00 0.00 H new ATOM 1320 N GLY A 82 3.559 10.260 12.070 1.00 0.00 N ATOM 1321 CA GLY A 82 4.847 10.831 12.443 1.00 0.00 C ATOM 1322 C GLY A 82 4.873 11.197 13.924 1.00 0.00 C ATOM 1323 O GLY A 82 5.935 11.452 14.491 1.00 0.00 O ATOM 0 H GLY A 82 2.952 10.890 11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.642 10.117 12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.044 11.719 11.842 1.00 0.00 H new ATOM 1327 N LYS A 83 3.697 11.220 14.542 1.00 0.00 N ATOM 1328 CA LYS A 83 3.596 11.555 15.958 1.00 0.00 C ATOM 1329 C LYS A 83 3.440 10.290 16.795 1.00 0.00 C ATOM 1330 O LYS A 83 3.291 10.355 18.015 1.00 0.00 O ATOM 1331 CB LYS A 83 2.397 12.475 16.195 1.00 0.00 C ATOM 1332 CG LYS A 83 2.455 13.655 15.223 1.00 0.00 C ATOM 1333 CD LYS A 83 1.258 14.576 15.464 1.00 0.00 C ATOM 1334 CE LYS A 83 1.003 15.422 14.216 1.00 0.00 C ATOM 1335 NZ LYS A 83 0.034 16.505 14.540 1.00 0.00 N ATOM 0 H LYS A 83 2.807 11.012 14.089 1.00 0.00 H new ATOM 0 HA LYS A 83 4.510 12.068 16.257 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.468 11.922 16.056 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.401 12.837 17.223 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.385 14.207 15.360 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.447 13.293 14.195 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.374 13.985 15.702 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.450 15.222 16.321 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.938 15.852 13.858 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.611 14.797 13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.140 17.081 13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.861 16.085 14.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.425 17.107 15.293 1.00 0.00 H new ATOM 1349 N GLY A 84 3.472 9.139 16.130 1.00 0.00 N ATOM 1350 CA GLY A 84 3.331 7.863 16.823 1.00 0.00 C ATOM 1351 C GLY A 84 4.695 7.246 17.117 1.00 0.00 C ATOM 1352 O GLY A 84 4.984 6.872 18.255 1.00 0.00 O ATOM 0 H GLY A 84 3.593 9.063 15.120 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.786 8.010 17.755 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.742 7.178 16.214 1.00 0.00 H new ATOM 1356 N PHE A 85 5.530 7.141 16.086 1.00 0.00 N ATOM 1357 CA PHE A 85 6.863 6.568 16.244 1.00 0.00 C ATOM 1358 C PHE A 85 7.925 7.665 16.214 1.00 0.00 C ATOM 1359 O PHE A 85 7.652 8.793 15.799 1.00 0.00 O ATOM 1360 CB PHE A 85 7.134 5.554 15.128 1.00 0.00 C ATOM 1361 CG PHE A 85 7.184 4.157 15.708 1.00 0.00 C ATOM 1362 CD1 PHE A 85 6.277 3.181 15.272 1.00 0.00 C ATOM 1363 CD2 PHE A 85 8.140 3.838 16.681 1.00 0.00 C ATOM 1364 CE1 PHE A 85 6.327 1.890 15.810 1.00 0.00 C ATOM 1365 CE2 PHE A 85 8.189 2.546 17.219 1.00 0.00 C ATOM 1366 CZ PHE A 85 7.283 1.572 16.784 1.00 0.00 C ATOM 0 H PHE A 85 5.308 7.444 15.137 1.00 0.00 H new ATOM 0 HA PHE A 85 6.909 6.062 17.208 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.353 5.616 14.370 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.077 5.787 14.633 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.540 3.425 14.521 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.840 4.589 17.016 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.628 1.138 15.474 1.00 0.00 H new ATOM 0 HE2 PHE A 85 8.926 2.301 17.970 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.321 0.576 17.199 1.00 0.00 H new ATOM 1376 N GLU A 86 9.133 7.330 16.658 1.00 0.00 N ATOM 1377 CA GLU A 86 10.225 8.300 16.682 1.00 0.00 C ATOM 1378 C GLU A 86 10.846 8.456 15.286 1.00 0.00 C ATOM 1379 O GLU A 86 11.255 7.467 14.679 1.00 0.00 O ATOM 1380 CB GLU A 86 11.308 7.836 17.662 1.00 0.00 C ATOM 1381 CG GLU A 86 12.300 8.977 17.907 1.00 0.00 C ATOM 1382 CD GLU A 86 11.631 10.084 18.714 1.00 0.00 C ATOM 1383 OE1 GLU A 86 10.532 9.859 19.191 1.00 0.00 O ATOM 1384 OE2 GLU A 86 12.226 11.142 18.839 1.00 0.00 O ATOM 0 H GLU A 86 9.380 6.403 17.003 1.00 0.00 H new ATOM 0 HA GLU A 86 9.821 9.261 17.000 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.853 7.527 18.603 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.829 6.967 17.260 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.173 8.603 18.442 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.654 9.373 16.955 1.00 0.00 H new ATOM 1391 N PRO A 87 10.942 9.661 14.760 1.00 0.00 N ATOM 1392 CA PRO A 87 11.545 9.885 13.416 1.00 0.00 C ATOM 1393 C PRO A 87 13.068 9.817 13.462 1.00 0.00 C ATOM 1394 O PRO A 87 13.693 10.359 14.373 1.00 0.00 O ATOM 1395 CB PRO A 87 11.076 11.287 13.041 1.00 0.00 C ATOM 1396 CG PRO A 87 10.909 11.994 14.342 1.00 0.00 C ATOM 1397 CD PRO A 87 10.499 10.934 15.364 1.00 0.00 C ATOM 0 HA PRO A 87 11.244 9.124 12.695 1.00 0.00 H new ATOM 0 HB2 PRO A 87 11.805 11.792 12.407 1.00 0.00 H new ATOM 0 HB3 PRO A 87 10.139 11.255 12.485 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.837 12.482 14.640 1.00 0.00 H new ATOM 0 HG3 PRO A 87 10.150 12.773 14.265 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.976 11.105 16.329 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.423 10.941 15.535 1.00 0.00 H new ATOM 1405 N GLY A 88 13.656 9.153 12.474 1.00 0.00 N ATOM 1406 CA GLY A 88 15.106 9.019 12.407 1.00 0.00 C ATOM 1407 C GLY A 88 15.526 7.560 12.541 1.00 0.00 C ATOM 1408 O GLY A 88 16.485 7.121 11.906 1.00 0.00 O ATOM 0 H GLY A 88 13.153 8.700 11.711 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.469 9.420 11.461 1.00 0.00 H new ATOM 0 HA3 GLY A 88 15.566 9.608 13.200 1.00 0.00 H new ATOM 1412 N VAL A 89 14.808 6.811 13.372 1.00 0.00 N ATOM 1413 CA VAL A 89 15.124 5.405 13.576 1.00 0.00 C ATOM 1414 C VAL A 89 14.220 4.517 12.728 1.00 0.00 C ATOM 1415 O VAL A 89 13.005 4.710 12.682 1.00 0.00 O ATOM 1416 CB VAL A 89 14.955 5.050 15.051 1.00 0.00 C ATOM 1417 CG1 VAL A 89 15.745 6.039 15.910 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.472 5.121 15.423 1.00 0.00 C ATOM 0 H VAL A 89 14.011 7.152 13.910 1.00 0.00 H new ATOM 0 HA VAL A 89 16.157 5.235 13.273 1.00 0.00 H new ATOM 0 HB VAL A 89 15.328 4.041 15.227 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.623 5.784 16.963 1.00 0.00 H new ATOM 0 HG12 VAL A 89 16.801 5.989 15.644 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.374 7.049 15.736 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.348 4.868 16.476 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.101 6.130 15.246 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.909 4.415 14.812 1.00 0.00 H new ATOM 1428 N THR A 90 14.823 3.540 12.059 1.00 0.00 N ATOM 1429 CA THR A 90 14.069 2.622 11.215 1.00 0.00 C ATOM 1430 C THR A 90 13.270 1.645 12.072 1.00 0.00 C ATOM 1431 O THR A 90 13.785 1.097 13.048 1.00 0.00 O ATOM 1432 CB THR A 90 15.030 1.843 10.315 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.073 2.705 9.883 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.275 1.306 9.099 1.00 0.00 C ATOM 0 H THR A 90 15.827 3.364 12.085 1.00 0.00 H new ATOM 0 HA THR A 90 13.378 3.199 10.601 1.00 0.00 H new ATOM 0 HB THR A 90 15.453 1.008 10.873 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.691 2.208 9.308 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.962 0.752 8.460 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.474 0.645 9.431 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.849 2.138 8.538 1.00 0.00 H new ATOM 1442 N ASN A 91 12.012 1.433 11.699 1.00 0.00 N ATOM 1443 CA ASN A 91 11.145 0.518 12.435 1.00 0.00 C ATOM 1444 C ASN A 91 10.900 -0.754 11.625 1.00 0.00 C ATOM 1445 O ASN A 91 10.465 -0.693 10.476 1.00 0.00 O ATOM 1446 CB ASN A 91 9.808 1.199 12.732 1.00 0.00 C ATOM 1447 CG ASN A 91 10.028 2.682 12.999 1.00 0.00 C ATOM 1448 OD1 ASN A 91 9.682 3.521 12.167 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.589 3.058 14.115 1.00 0.00 N ATOM 0 H ASN A 91 11.571 1.880 10.895 1.00 0.00 H new ATOM 0 HA ASN A 91 11.636 0.251 13.371 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.129 1.069 11.889 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.336 0.731 13.596 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.742 4.049 14.300 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.875 2.361 14.802 1.00 0.00 H new ATOM 1456 N ILE A 92 11.182 -1.902 12.237 1.00 0.00 N ATOM 1457 CA ILE A 92 10.994 -3.196 11.581 1.00 0.00 C ATOM 1458 C ILE A 92 9.782 -3.910 12.153 1.00 0.00 C ATOM 1459 O ILE A 92 9.799 -4.353 13.304 1.00 0.00 O ATOM 1460 CB ILE A 92 12.229 -4.065 11.797 1.00 0.00 C ATOM 1461 CG1 ILE A 92 13.504 -3.218 11.662 1.00 0.00 C ATOM 1462 CG2 ILE A 92 12.238 -5.190 10.768 1.00 0.00 C ATOM 1463 CD1 ILE A 92 13.575 -2.551 10.281 1.00 0.00 C ATOM 0 H ILE A 92 11.543 -1.963 13.189 1.00 0.00 H new ATOM 0 HA ILE A 92 10.840 -3.025 10.516 1.00 0.00 H new ATOM 0 HB ILE A 92 12.200 -4.490 12.800 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.523 -2.455 12.440 1.00 0.00 H new ATOM 0 HG13 ILE A 92 14.381 -3.848 11.812 1.00 0.00 H new ATOM 0 HG21 ILE A 92 13.119 -5.814 10.919 1.00 0.00 H new ATOM 0 HG22 ILE A 92 11.340 -5.797 10.884 1.00 0.00 H new ATOM 0 HG23 ILE A 92 12.262 -4.765 9.765 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.486 -1.957 10.210 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.580 -3.318 9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.709 -1.904 10.145 1.00 0.00 H new ATOM 1475 N LEU A 93 8.732 -4.017 11.343 1.00 0.00 N ATOM 1476 CA LEU A 93 7.517 -4.687 11.800 1.00 0.00 C ATOM 1477 C LEU A 93 6.930 -5.590 10.729 1.00 0.00 C ATOM 1478 O LEU A 93 7.199 -5.434 9.538 1.00 0.00 O ATOM 1479 CB LEU A 93 6.456 -3.698 12.279 1.00 0.00 C ATOM 1480 CG LEU A 93 6.421 -2.436 11.426 1.00 0.00 C ATOM 1481 CD1 LEU A 93 7.692 -1.601 11.622 1.00 0.00 C ATOM 1482 CD2 LEU A 93 6.276 -2.805 9.956 1.00 0.00 C ATOM 0 H LEU A 93 8.696 -3.658 10.389 1.00 0.00 H new ATOM 0 HA LEU A 93 7.817 -5.303 12.648 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.477 -4.178 12.256 1.00 0.00 H new ATOM 0 HB3 LEU A 93 6.655 -3.428 13.316 1.00 0.00 H new ATOM 0 HG LEU A 93 5.564 -1.840 11.741 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.639 -0.707 11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.779 -1.311 12.669 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.563 -2.191 11.335 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.252 -1.897 9.354 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.122 -3.421 9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.350 -3.362 9.810 1.00 0.00 H new ATOM 1494 N LYS A 94 6.123 -6.538 11.171 1.00 0.00 N ATOM 1495 CA LYS A 94 5.491 -7.472 10.261 1.00 0.00 C ATOM 1496 C LYS A 94 4.188 -6.906 9.705 1.00 0.00 C ATOM 1497 O LYS A 94 3.535 -6.077 10.340 1.00 0.00 O ATOM 1498 CB LYS A 94 5.207 -8.777 10.993 1.00 0.00 C ATOM 1499 CG LYS A 94 6.419 -9.721 10.875 1.00 0.00 C ATOM 1500 CD LYS A 94 6.057 -11.114 11.404 1.00 0.00 C ATOM 1501 CE LYS A 94 5.019 -11.780 10.488 1.00 0.00 C ATOM 1502 NZ LYS A 94 5.274 -13.249 10.441 1.00 0.00 N ATOM 0 H LYS A 94 5.891 -6.680 12.154 1.00 0.00 H new ATOM 0 HA LYS A 94 6.169 -7.650 9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.993 -8.576 12.043 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.322 -9.254 10.573 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.736 -9.790 9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.260 -9.317 11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.952 -11.733 11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.661 -11.034 12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.012 -11.586 10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.077 -11.357 9.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.573 -13.703 9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.229 -13.424 10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.198 -13.645 11.399 1.00 0.00 H new ATOM 1516 N THR A 95 3.819 -7.368 8.512 1.00 0.00 N ATOM 1517 CA THR A 95 2.594 -6.919 7.859 1.00 0.00 C ATOM 1518 C THR A 95 1.594 -8.066 7.773 1.00 0.00 C ATOM 1519 O THR A 95 1.932 -9.219 8.039 1.00 0.00 O ATOM 1520 CB THR A 95 2.913 -6.409 6.451 1.00 0.00 C ATOM 1521 OG1 THR A 95 3.258 -7.511 5.624 1.00 0.00 O ATOM 1522 CG2 THR A 95 4.087 -5.433 6.520 1.00 0.00 C ATOM 0 H THR A 95 4.353 -8.054 7.978 1.00 0.00 H new ATOM 0 HA THR A 95 2.158 -6.111 8.446 1.00 0.00 H new ATOM 0 HB THR A 95 2.043 -5.899 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.462 -7.191 4.721 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.316 -5.068 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.824 -4.592 7.161 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.960 -5.942 6.929 1.00 0.00 H new ATOM 1530 N THR A 96 0.365 -7.745 7.399 1.00 0.00 N ATOM 1531 CA THR A 96 -0.669 -8.756 7.287 1.00 0.00 C ATOM 1532 C THR A 96 -0.317 -9.760 6.182 1.00 0.00 C ATOM 1533 O THR A 96 -0.628 -10.946 6.289 1.00 0.00 O ATOM 1534 CB THR A 96 -2.026 -8.073 7.033 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.003 -8.642 7.892 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.466 -8.251 5.586 1.00 0.00 C ATOM 0 H THR A 96 0.063 -6.798 7.170 1.00 0.00 H new ATOM 0 HA THR A 96 -0.740 -9.317 8.219 1.00 0.00 H new ATOM 0 HB THR A 96 -1.920 -7.007 7.233 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.868 -8.209 7.735 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.427 -7.759 5.435 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.723 -7.808 4.923 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.563 -9.314 5.363 1.00 0.00 H new ATOM 1544 N GLN A 97 0.343 -9.274 5.129 1.00 0.00 N ATOM 1545 CA GLN A 97 0.749 -10.130 4.013 1.00 0.00 C ATOM 1546 C GLN A 97 1.633 -11.281 4.493 1.00 0.00 C ATOM 1547 O GLN A 97 1.626 -12.363 3.904 1.00 0.00 O ATOM 1548 CB GLN A 97 1.526 -9.299 2.988 1.00 0.00 C ATOM 1549 CG GLN A 97 2.117 -10.218 1.914 1.00 0.00 C ATOM 1550 CD GLN A 97 3.479 -10.740 2.364 1.00 0.00 C ATOM 1551 OE1 GLN A 97 4.281 -9.988 2.920 1.00 0.00 O ATOM 1552 NE2 GLN A 97 3.789 -11.990 2.155 1.00 0.00 N ATOM 0 H GLN A 97 0.607 -8.294 5.026 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.151 -10.547 3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.866 -8.564 2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.323 -8.745 3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.442 -11.053 1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.219 -9.674 0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.123 -12.610 1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.697 -12.347 2.452 1.00 0.00 H new ATOM 1561 N GLY A 98 2.396 -11.043 5.559 1.00 0.00 N ATOM 1562 CA GLY A 98 3.284 -12.072 6.100 1.00 0.00 C ATOM 1563 C GLY A 98 4.747 -11.779 5.764 1.00 0.00 C ATOM 1564 O GLY A 98 5.429 -12.602 5.155 1.00 0.00 O ATOM 0 H GLY A 98 2.418 -10.156 6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.162 -12.128 7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.004 -13.045 5.696 1.00 0.00 H new ATOM 1568 N SER A 99 5.224 -10.603 6.167 1.00 0.00 N ATOM 1569 CA SER A 99 6.609 -10.215 5.902 1.00 0.00 C ATOM 1570 C SER A 99 6.980 -8.973 6.708 1.00 0.00 C ATOM 1571 O SER A 99 6.101 -8.269 7.201 1.00 0.00 O ATOM 1572 CB SER A 99 6.797 -9.929 4.412 1.00 0.00 C ATOM 1573 OG SER A 99 5.998 -8.809 4.049 1.00 0.00 O ATOM 0 H SER A 99 4.678 -9.907 6.674 1.00 0.00 H new ATOM 0 HA SER A 99 7.259 -11.038 6.199 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.846 -9.728 4.197 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.512 -10.801 3.823 1.00 0.00 H new ATOM 0 HG SER A 99 5.311 -9.091 3.409 1.00 0.00 H new ATOM 1579 N LYS A 100 8.281 -8.706 6.838 1.00 0.00 N ATOM 1580 CA LYS A 100 8.736 -7.540 7.590 1.00 0.00 C ATOM 1581 C LYS A 100 9.047 -6.378 6.669 1.00 0.00 C ATOM 1582 O LYS A 100 9.648 -6.550 5.609 1.00 0.00 O ATOM 1583 CB LYS A 100 9.984 -7.871 8.404 1.00 0.00 C ATOM 1584 CG LYS A 100 10.936 -8.716 7.543 1.00 0.00 C ATOM 1585 CD LYS A 100 12.345 -8.737 8.153 1.00 0.00 C ATOM 1586 CE LYS A 100 12.415 -9.804 9.246 1.00 0.00 C ATOM 1587 NZ LYS A 100 12.492 -11.155 8.618 1.00 0.00 N ATOM 0 H LYS A 100 9.028 -9.274 6.438 1.00 0.00 H new ATOM 0 HA LYS A 100 7.926 -7.257 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.479 -6.954 8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.710 -8.416 9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.554 -9.734 7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.978 -8.310 6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.084 -8.945 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.587 -7.759 8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.286 -9.635 9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.537 -9.740 9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.888 -11.833 9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.539 -11.463 8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.103 -11.113 7.777 1.00 0.00 H new ATOM 1601 N ILE A 101 8.641 -5.191 7.098 1.00 0.00 N ATOM 1602 CA ILE A 101 8.884 -3.988 6.328 1.00 0.00 C ATOM 1603 C ILE A 101 9.553 -2.937 7.208 1.00 0.00 C ATOM 1604 O ILE A 101 9.286 -2.851 8.418 1.00 0.00 O ATOM 1605 CB ILE A 101 7.571 -3.463 5.749 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.854 -2.253 4.857 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.624 -3.052 6.876 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.588 -1.863 4.078 1.00 0.00 C ATOM 0 H ILE A 101 8.143 -5.040 7.975 1.00 0.00 H new ATOM 0 HA ILE A 101 9.553 -4.218 5.499 1.00 0.00 H new ATOM 0 HB ILE A 101 7.103 -4.253 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.189 -1.413 5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.661 -2.485 4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.692 -2.680 6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.415 -3.915 7.508 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.089 -2.268 7.474 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.801 -1.001 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.272 -2.700 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.792 -1.612 4.779 1.00 0.00 H new ATOM 1620 N PHE A 102 10.449 -2.171 6.590 1.00 0.00 N ATOM 1621 CA PHE A 102 11.196 -1.139 7.297 1.00 0.00 C ATOM 1622 C PHE A 102 10.555 0.228 7.095 1.00 0.00 C ATOM 1623 O PHE A 102 10.396 0.687 5.962 1.00 0.00 O ATOM 1624 CB PHE A 102 12.640 -1.102 6.787 1.00 0.00 C ATOM 1625 CG PHE A 102 13.042 -2.468 6.276 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.838 -2.577 5.129 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.623 -3.625 6.947 1.00 0.00 C ATOM 1628 CE1 PHE A 102 14.216 -3.840 4.657 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.998 -4.885 6.476 1.00 0.00 C ATOM 1630 CZ PHE A 102 13.796 -4.994 5.330 1.00 0.00 C ATOM 0 H PHE A 102 10.674 -2.248 5.598 1.00 0.00 H new ATOM 0 HA PHE A 102 11.186 -1.378 8.361 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.734 -0.364 5.990 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.310 -0.793 7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.160 -1.687 4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 102 12.008 -3.542 7.831 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.832 -3.924 3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.673 -5.775 6.995 1.00 0.00 H new ATOM 0 HZ PHE A 102 14.087 -5.968 4.965 1.00 0.00 H new ATOM 1640 N LEU A 103 10.193 0.875 8.199 1.00 0.00 N ATOM 1641 CA LEU A 103 9.574 2.195 8.136 1.00 0.00 C ATOM 1642 C LEU A 103 10.482 3.234 8.782 1.00 0.00 C ATOM 1643 O LEU A 103 11.026 3.011 9.861 1.00 0.00 O ATOM 1644 CB LEU A 103 8.227 2.185 8.865 1.00 0.00 C ATOM 1645 CG LEU A 103 7.090 1.780 7.918 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.747 2.932 6.972 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.480 0.544 7.104 1.00 0.00 C ATOM 0 H LEU A 103 10.317 0.509 9.143 1.00 0.00 H new ATOM 0 HA LEU A 103 9.418 2.450 7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.270 1.491 9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.026 3.174 9.278 1.00 0.00 H new ATOM 0 HG LEU A 103 6.215 1.542 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.939 2.628 6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.432 3.799 7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.625 3.191 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.660 0.273 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.369 0.763 6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.688 -0.286 7.780 1.00 0.00 H new ATOM 1659 N LYS A 104 10.644 4.365 8.116 1.00 0.00 N ATOM 1660 CA LYS A 104 11.493 5.420 8.640 1.00 0.00 C ATOM 1661 C LYS A 104 10.953 6.789 8.243 1.00 0.00 C ATOM 1662 O LYS A 104 10.662 7.038 7.074 1.00 0.00 O ATOM 1663 CB LYS A 104 12.913 5.239 8.109 1.00 0.00 C ATOM 1664 CG LYS A 104 13.743 6.487 8.405 1.00 0.00 C ATOM 1665 CD LYS A 104 15.207 6.085 8.577 1.00 0.00 C ATOM 1666 CE LYS A 104 15.685 5.372 7.311 1.00 0.00 C ATOM 1667 NZ LYS A 104 17.169 5.463 7.221 1.00 0.00 N ATOM 0 H LYS A 104 10.203 4.575 7.220 1.00 0.00 H new ATOM 0 HA LYS A 104 11.503 5.360 9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.375 4.367 8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.888 5.055 7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.644 7.206 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.379 6.975 9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.819 6.967 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.318 5.430 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.374 4.327 7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.228 5.825 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.495 4.978 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.454 6.463 7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.596 5.012 8.055 1.00 0.00 H new ATOM 1681 N GLU A 105 10.820 7.671 9.230 1.00 0.00 N ATOM 1682 CA GLU A 105 10.310 9.018 8.985 1.00 0.00 C ATOM 1683 C GLU A 105 11.362 10.060 9.350 1.00 0.00 C ATOM 1684 O GLU A 105 11.828 10.111 10.488 1.00 0.00 O ATOM 1685 CB GLU A 105 9.049 9.251 9.819 1.00 0.00 C ATOM 1686 CG GLU A 105 7.855 9.489 8.892 1.00 0.00 C ATOM 1687 CD GLU A 105 6.608 9.797 9.716 1.00 0.00 C ATOM 1688 OE1 GLU A 105 6.500 10.914 10.194 1.00 0.00 O ATOM 1689 OE2 GLU A 105 5.781 8.911 9.856 1.00 0.00 O ATOM 0 H GLU A 105 11.057 7.479 10.203 1.00 0.00 H new ATOM 0 HA GLU A 105 10.071 9.114 7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.859 8.389 10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.189 10.110 10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.068 10.317 8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.684 8.608 8.273 1.00 0.00 H new ATOM 1696 N VAL A 106 11.734 10.885 8.377 1.00 0.00 N ATOM 1697 CA VAL A 106 12.735 11.924 8.604 1.00 0.00 C ATOM 1698 C VAL A 106 12.297 13.240 7.967 1.00 0.00 C ATOM 1699 O VAL A 106 11.708 13.251 6.889 1.00 0.00 O ATOM 1700 CB VAL A 106 14.076 11.496 8.007 1.00 0.00 C ATOM 1701 CG1 VAL A 106 14.998 12.711 7.900 1.00 0.00 C ATOM 1702 CG2 VAL A 106 14.724 10.444 8.911 1.00 0.00 C ATOM 0 H VAL A 106 11.361 10.856 7.428 1.00 0.00 H new ATOM 0 HA VAL A 106 12.841 12.068 9.679 1.00 0.00 H new ATOM 0 HB VAL A 106 13.913 11.074 7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 106 15.954 12.406 7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.538 13.462 7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.160 13.133 8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.680 10.138 8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 106 14.886 10.866 9.903 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.068 9.577 8.989 1.00 0.00 H new ATOM 1712 N ASN A 107 12.592 14.347 8.641 1.00 0.00 N ATOM 1713 CA ASN A 107 12.226 15.663 8.126 1.00 0.00 C ATOM 1714 C ASN A 107 10.760 15.688 7.702 1.00 0.00 C ATOM 1715 O ASN A 107 10.407 16.298 6.693 1.00 0.00 O ATOM 1716 CB ASN A 107 13.108 16.019 6.929 1.00 0.00 C ATOM 1717 CG ASN A 107 14.542 16.257 7.390 1.00 0.00 C ATOM 1718 OD1 ASN A 107 14.853 16.077 8.644 1.00 0.00 O flip ATOM 1719 ND2 ASN A 107 15.401 16.614 6.585 1.00 0.00 N flip ATOM 0 H ASN A 107 13.079 14.361 9.537 1.00 0.00 H new ATOM 0 HA ASN A 107 12.375 16.395 8.920 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.082 15.213 6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.723 16.912 6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.155 16.754 5.605 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.359 16.770 6.897 1.00 0.00 H new ATOM 1726 N ASP A 108 9.911 15.023 8.479 1.00 0.00 N ATOM 1727 CA ASP A 108 8.485 14.977 8.175 1.00 0.00 C ATOM 1728 C ASP A 108 8.239 14.271 6.843 1.00 0.00 C ATOM 1729 O ASP A 108 7.181 14.427 6.232 1.00 0.00 O ATOM 1730 CB ASP A 108 7.918 16.396 8.114 1.00 0.00 C ATOM 1731 CG ASP A 108 8.576 17.267 9.177 1.00 0.00 C ATOM 1732 OD1 ASP A 108 9.235 18.224 8.807 1.00 0.00 O ATOM 1733 OD2 ASP A 108 8.414 16.964 10.348 1.00 0.00 O ATOM 0 H ASP A 108 10.183 14.512 9.319 1.00 0.00 H new ATOM 0 HA ASP A 108 7.984 14.418 8.966 1.00 0.00 H new ATOM 0 HB2 ASP A 108 8.089 16.823 7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.839 16.372 8.268 1.00 0.00 H new ATOM 1738 N THR A 109 9.223 13.494 6.403 1.00 0.00 N ATOM 1739 CA THR A 109 9.112 12.761 5.147 1.00 0.00 C ATOM 1740 C THR A 109 8.985 11.270 5.417 1.00 0.00 C ATOM 1741 O THR A 109 9.778 10.695 6.166 1.00 0.00 O ATOM 1742 CB THR A 109 10.342 13.017 4.276 1.00 0.00 C ATOM 1743 OG1 THR A 109 10.601 14.412 4.220 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.080 12.489 2.872 1.00 0.00 C ATOM 0 H THR A 109 10.105 13.356 6.896 1.00 0.00 H new ATOM 0 HA THR A 109 8.221 13.108 4.623 1.00 0.00 H new ATOM 0 HB THR A 109 11.206 12.508 4.702 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.391 14.576 3.663 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.954 12.669 2.247 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.881 11.418 2.917 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.217 13.001 2.446 1.00 0.00 H new ATOM 1752 N LEU A 110 7.990 10.647 4.800 1.00 0.00 N ATOM 1753 CA LEU A 110 7.783 9.221 4.981 1.00 0.00 C ATOM 1754 C LEU A 110 8.734 8.440 4.089 1.00 0.00 C ATOM 1755 O LEU A 110 8.592 8.443 2.861 1.00 0.00 O ATOM 1756 CB LEU A 110 6.346 8.834 4.636 1.00 0.00 C ATOM 1757 CG LEU A 110 5.918 7.605 5.455 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.558 7.113 4.956 1.00 0.00 C ATOM 1759 CD2 LEU A 110 6.942 6.472 5.295 1.00 0.00 C ATOM 0 H LEU A 110 7.322 11.102 4.178 1.00 0.00 H new ATOM 0 HA LEU A 110 7.975 8.981 6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.677 9.669 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.265 8.617 3.571 1.00 0.00 H new ATOM 0 HG LEU A 110 5.857 7.889 6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.252 6.242 5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.819 7.905 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.633 6.841 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.625 5.609 5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.012 6.191 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.917 6.810 5.646 1.00 0.00 H new ATOM 1771 N LEU A 111 9.692 7.767 4.712 1.00 0.00 N ATOM 1772 CA LEU A 111 10.658 6.971 3.977 1.00 0.00 C ATOM 1773 C LEU A 111 10.486 5.503 4.326 1.00 0.00 C ATOM 1774 O LEU A 111 10.725 5.087 5.458 1.00 0.00 O ATOM 1775 CB LEU A 111 12.082 7.437 4.297 1.00 0.00 C ATOM 1776 CG LEU A 111 12.217 8.934 3.983 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.655 9.383 4.184 1.00 0.00 C ATOM 1778 CD2 LEU A 111 11.846 9.194 2.529 1.00 0.00 C ATOM 0 H LEU A 111 9.819 7.758 5.724 1.00 0.00 H new ATOM 0 HA LEU A 111 10.488 7.100 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.308 7.254 5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.803 6.866 3.712 1.00 0.00 H new ATOM 0 HG LEU A 111 11.553 9.483 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.739 10.446 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.950 9.207 5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.309 8.818 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.944 10.258 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 111 12.512 8.629 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 111 10.816 8.882 2.355 1.00 0.00 H new ATOM 1790 N VAL A 112 10.063 4.728 3.337 1.00 0.00 N ATOM 1791 CA VAL A 112 9.848 3.295 3.532 1.00 0.00 C ATOM 1792 C VAL A 112 10.789 2.507 2.622 1.00 0.00 C ATOM 1793 O VAL A 112 11.039 2.902 1.487 1.00 0.00 O ATOM 1794 CB VAL A 112 8.385 2.925 3.238 1.00 0.00 C ATOM 1795 CG1 VAL A 112 7.883 3.603 1.955 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.271 1.404 3.096 1.00 0.00 C ATOM 0 H VAL A 112 9.862 5.062 2.395 1.00 0.00 H new ATOM 0 HA VAL A 112 10.061 3.042 4.571 1.00 0.00 H new ATOM 0 HB VAL A 112 7.767 3.274 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.846 3.320 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 112 7.950 4.685 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.496 3.285 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.236 1.135 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.906 1.066 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.590 0.927 4.023 1.00 0.00 H new ATOM 1806 N ASN A 113 11.320 1.399 3.118 1.00 0.00 N ATOM 1807 CA ASN A 113 12.234 0.592 2.315 1.00 0.00 C ATOM 1808 C ASN A 113 13.328 1.466 1.690 1.00 0.00 C ATOM 1809 O ASN A 113 13.915 1.105 0.670 1.00 0.00 O ATOM 1810 CB ASN A 113 11.456 -0.132 1.210 1.00 0.00 C ATOM 1811 CG ASN A 113 10.861 -1.425 1.756 1.00 0.00 C ATOM 1812 OD1 ASN A 113 10.754 -1.596 2.969 1.00 0.00 O ATOM 1813 ND2 ASN A 113 10.469 -2.353 0.925 1.00 0.00 N ATOM 0 H ASN A 113 11.140 1.041 4.056 1.00 0.00 H new ATOM 0 HA ASN A 113 12.708 -0.142 2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.663 0.512 0.830 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.117 -0.351 0.372 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.073 -3.223 1.282 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.559 -2.208 -0.081 1.00 0.00 H new ATOM 1820 N GLU A 114 13.596 2.617 2.310 1.00 0.00 N ATOM 1821 CA GLU A 114 14.621 3.539 1.811 1.00 0.00 C ATOM 1822 C GLU A 114 14.174 4.200 0.510 1.00 0.00 C ATOM 1823 O GLU A 114 14.908 4.207 -0.478 1.00 0.00 O ATOM 1824 CB GLU A 114 15.945 2.801 1.582 1.00 0.00 C ATOM 1825 CG GLU A 114 16.158 1.773 2.696 1.00 0.00 C ATOM 1826 CD GLU A 114 17.643 1.659 3.024 1.00 0.00 C ATOM 1827 OE1 GLU A 114 18.161 0.557 2.963 1.00 0.00 O ATOM 1828 OE2 GLU A 114 18.241 2.678 3.333 1.00 0.00 O ATOM 0 H GLU A 114 13.120 2.933 3.155 1.00 0.00 H new ATOM 0 HA GLU A 114 14.767 4.312 2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.933 2.304 0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.771 3.512 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 114 15.602 2.069 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 114 15.770 0.803 2.386 1.00 0.00 H new ATOM 1835 N LEU A 115 12.968 4.762 0.523 1.00 0.00 N ATOM 1836 CA LEU A 115 12.435 5.434 -0.659 1.00 0.00 C ATOM 1837 C LEU A 115 11.457 6.534 -0.259 1.00 0.00 C ATOM 1838 O LEU A 115 10.715 6.399 0.716 1.00 0.00 O ATOM 1839 CB LEU A 115 11.749 4.411 -1.585 1.00 0.00 C ATOM 1840 CG LEU A 115 10.277 4.219 -1.175 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.374 5.266 -1.843 1.00 0.00 C ATOM 1842 CD2 LEU A 115 9.814 2.819 -1.585 1.00 0.00 C ATOM 0 H LEU A 115 12.346 4.766 1.331 1.00 0.00 H new ATOM 0 HA LEU A 115 13.262 5.896 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.804 4.753 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.274 3.457 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 115 10.204 4.340 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.341 5.105 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.691 6.265 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.448 5.172 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.772 2.681 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.909 2.706 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.431 2.071 -1.087 1.00 0.00 H new ATOM 1854 N LYS A 116 11.467 7.625 -1.016 1.00 0.00 N ATOM 1855 CA LYS A 116 10.590 8.741 -0.740 1.00 0.00 C ATOM 1856 C LYS A 116 9.178 8.460 -1.247 1.00 0.00 C ATOM 1857 O LYS A 116 8.975 8.181 -2.429 1.00 0.00 O ATOM 1858 CB LYS A 116 11.152 9.990 -1.435 1.00 0.00 C ATOM 1859 CG LYS A 116 11.113 11.230 -0.523 1.00 0.00 C ATOM 1860 CD LYS A 116 12.480 11.925 -0.541 1.00 0.00 C ATOM 1861 CE LYS A 116 12.328 13.351 -0.030 1.00 0.00 C ATOM 1862 NZ LYS A 116 13.623 14.073 -0.173 1.00 0.00 N ATOM 0 H LYS A 116 12.075 7.754 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 116 10.538 8.899 0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.180 9.800 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.579 10.189 -2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.339 11.919 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.856 10.937 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 116 13.187 11.377 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 116 12.884 11.931 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.548 13.868 -0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.018 13.343 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.518 15.047 0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.356 13.584 0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 13.901 14.093 -1.175 1.00 0.00 H new ATOM 1876 N SER A 117 8.205 8.539 -0.344 1.00 0.00 N ATOM 1877 CA SER A 117 6.815 8.295 -0.715 1.00 0.00 C ATOM 1878 C SER A 117 6.263 9.460 -1.528 1.00 0.00 C ATOM 1879 O SER A 117 6.742 10.589 -1.417 1.00 0.00 O ATOM 1880 CB SER A 117 5.966 8.096 0.543 1.00 0.00 C ATOM 1881 OG SER A 117 6.521 7.044 1.322 1.00 0.00 O ATOM 0 H SER A 117 8.351 8.767 0.639 1.00 0.00 H new ATOM 0 HA SER A 117 6.775 7.393 -1.326 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.935 9.017 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.938 7.858 0.268 1.00 0.00 H new ATOM 0 HG SER A 117 7.249 7.396 1.875 1.00 0.00 H new ATOM 1887 N LYS A 118 5.254 9.180 -2.345 1.00 0.00 N ATOM 1888 CA LYS A 118 4.648 10.218 -3.169 1.00 0.00 C ATOM 1889 C LYS A 118 3.513 10.896 -2.417 1.00 0.00 C ATOM 1890 O LYS A 118 3.432 12.124 -2.371 1.00 0.00 O ATOM 1891 CB LYS A 118 4.105 9.620 -4.468 1.00 0.00 C ATOM 1892 CG LYS A 118 5.238 8.916 -5.230 1.00 0.00 C ATOM 1893 CD LYS A 118 5.234 9.340 -6.705 1.00 0.00 C ATOM 1894 CE LYS A 118 5.936 10.692 -6.846 1.00 0.00 C ATOM 1895 NZ LYS A 118 5.542 11.327 -8.135 1.00 0.00 N ATOM 0 H LYS A 118 4.842 8.253 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 118 5.416 10.955 -3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.307 8.911 -4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.671 10.405 -5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.198 9.163 -4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.119 7.835 -5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.740 8.590 -7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.210 9.409 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.668 11.341 -6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.017 10.557 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.020 12.246 -8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.819 10.710 -8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.512 11.469 -8.151 1.00 0.00 H new ATOM 1909 N GLU A 119 2.634 10.090 -1.830 1.00 0.00 N ATOM 1910 CA GLU A 119 1.508 10.634 -1.084 1.00 0.00 C ATOM 1911 C GLU A 119 1.088 9.656 0.003 1.00 0.00 C ATOM 1912 O GLU A 119 0.481 8.621 -0.270 1.00 0.00 O ATOM 1913 CB GLU A 119 0.330 10.899 -2.041 1.00 0.00 C ATOM 1914 CG GLU A 119 -0.295 12.291 -1.815 1.00 0.00 C ATOM 1915 CD GLU A 119 -0.694 12.892 -3.160 1.00 0.00 C ATOM 1916 OE1 GLU A 119 -1.335 12.197 -3.931 1.00 0.00 O ATOM 1917 OE2 GLU A 119 -0.349 14.038 -3.402 1.00 0.00 O ATOM 0 H GLU A 119 2.679 9.071 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 119 1.805 11.573 -0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.675 10.819 -3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.432 10.132 -1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.168 12.209 -1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.417 12.944 -1.309 1.00 0.00 H new ATOM 1924 N SER A 120 1.427 9.990 1.237 1.00 0.00 N ATOM 1925 CA SER A 120 1.095 9.133 2.362 1.00 0.00 C ATOM 1926 C SER A 120 0.784 9.962 3.593 1.00 0.00 C ATOM 1927 O SER A 120 1.078 11.155 3.637 1.00 0.00 O ATOM 1928 CB SER A 120 2.268 8.201 2.666 1.00 0.00 C ATOM 1929 OG SER A 120 3.387 8.976 3.078 1.00 0.00 O ATOM 0 H SER A 120 1.929 10.843 1.484 1.00 0.00 H new ATOM 0 HA SER A 120 0.215 8.546 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.993 7.494 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.522 7.616 1.782 1.00 0.00 H new ATOM 0 HG SER A 120 4.205 8.603 2.687 1.00 0.00 H new ATOM 1935 N ASP A 121 0.183 9.318 4.587 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.171 10.005 5.825 1.00 0.00 C ATOM 1937 C ASP A 121 -1.487 10.740 5.646 1.00 0.00 C ATOM 1938 O ASP A 121 -1.852 11.589 6.459 1.00 0.00 O ATOM 1939 CB ASP A 121 0.924 11.001 6.222 1.00 0.00 C ATOM 1940 CG ASP A 121 0.991 11.124 7.740 1.00 0.00 C ATOM 1941 OD1 ASP A 121 1.343 10.147 8.379 1.00 0.00 O ATOM 1942 OD2 ASP A 121 0.690 12.195 8.240 1.00 0.00 O ATOM 0 H ASP A 121 -0.068 8.330 4.562 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.272 9.262 6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.887 10.670 5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.719 11.975 5.779 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.197 10.403 4.576 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.479 11.030 4.298 1.00 0.00 C ATOM 1949 C ILE A 122 -4.445 10.726 5.438 1.00 0.00 C ATOM 1950 O ILE A 122 -4.083 10.846 6.605 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.042 10.506 2.973 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -2.913 10.357 1.938 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.094 11.481 2.439 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.084 11.646 1.861 1.00 0.00 C ATOM 0 H ILE A 122 -1.908 9.704 3.892 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.347 12.109 4.216 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.499 9.532 3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.270 9.520 2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.336 10.130 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.493 11.106 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.903 11.576 3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.636 12.457 2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.290 11.524 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -2.727 12.475 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.645 11.855 2.837 1.00 0.00 H new ATOM 1966 N MET A 123 -5.667 10.327 5.096 1.00 0.00 N ATOM 1967 CA MET A 123 -6.667 10.000 6.103 1.00 0.00 C ATOM 1968 C MET A 123 -7.876 9.329 5.465 1.00 0.00 C ATOM 1969 O MET A 123 -8.451 9.840 4.504 1.00 0.00 O ATOM 1970 CB MET A 123 -7.121 11.276 6.814 1.00 0.00 C ATOM 1971 CG MET A 123 -6.515 11.383 8.221 1.00 0.00 C ATOM 1972 SD MET A 123 -7.742 10.852 9.442 1.00 0.00 S ATOM 1973 CE MET A 123 -6.965 9.278 9.903 1.00 0.00 C ATOM 0 H MET A 123 -5.986 10.223 4.133 1.00 0.00 H new ATOM 0 HA MET A 123 -6.218 9.313 6.820 1.00 0.00 H new ATOM 0 HB2 MET A 123 -6.830 12.145 6.224 1.00 0.00 H new ATOM 0 HB3 MET A 123 -8.209 11.288 6.883 1.00 0.00 H new ATOM 0 HG2 MET A 123 -5.621 10.763 8.293 1.00 0.00 H new ATOM 0 HG3 MET A 123 -6.207 12.410 8.420 1.00 0.00 H new ATOM 0 HE1 MET A 123 -7.572 8.780 10.659 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.886 8.640 9.023 1.00 0.00 H new ATOM 0 HE3 MET A 123 -5.969 9.467 10.304 1.00 0.00 H new ATOM 1983 N THR A 124 -8.259 8.180 6.014 1.00 0.00 N ATOM 1984 CA THR A 124 -9.406 7.440 5.502 1.00 0.00 C ATOM 1985 C THR A 124 -10.295 6.966 6.645 1.00 0.00 C ATOM 1986 O THR A 124 -9.861 6.893 7.795 1.00 0.00 O ATOM 1987 CB THR A 124 -8.935 6.232 4.691 1.00 0.00 C ATOM 1988 OG1 THR A 124 -7.897 5.570 5.395 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.412 6.694 3.334 1.00 0.00 C ATOM 0 H THR A 124 -7.794 7.743 6.810 1.00 0.00 H new ATOM 0 HA THR A 124 -9.981 8.107 4.860 1.00 0.00 H new ATOM 0 HB THR A 124 -9.771 5.549 4.541 1.00 0.00 H new ATOM 0 HG1 THR A 124 -7.594 4.795 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.078 5.830 2.760 1.00 0.00 H new ATOM 0 HG22 THR A 124 -9.208 7.204 2.792 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.576 7.378 3.480 1.00 0.00 H new ATOM 1997 N THR A 125 -11.539 6.644 6.320 1.00 0.00 N ATOM 1998 CA THR A 125 -12.483 6.175 7.327 1.00 0.00 C ATOM 1999 C THR A 125 -12.112 4.774 7.800 1.00 0.00 C ATOM 2000 O THR A 125 -12.734 4.235 8.716 1.00 0.00 O ATOM 2001 CB THR A 125 -13.899 6.168 6.754 1.00 0.00 C ATOM 2002 OG1 THR A 125 -13.974 5.228 5.693 1.00 0.00 O ATOM 2003 CG2 THR A 125 -14.243 7.563 6.232 1.00 0.00 C ATOM 0 H THR A 125 -11.917 6.698 5.374 1.00 0.00 H new ATOM 0 HA THR A 125 -12.442 6.854 8.179 1.00 0.00 H new ATOM 0 HB THR A 125 -14.608 5.890 7.534 1.00 0.00 H new ATOM 0 HG1 THR A 125 -14.882 4.863 5.643 1.00 0.00 H new ATOM 0 HG21 THR A 125 -15.253 7.559 5.823 1.00 0.00 H new ATOM 0 HG22 THR A 125 -14.185 8.282 7.049 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.536 7.844 5.451 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.090 4.195 7.171 1.00 0.00 N ATOM 2012 CA ASN A 126 -10.634 2.857 7.537 1.00 0.00 C ATOM 2013 C ASN A 126 -9.137 2.863 7.846 1.00 0.00 C ATOM 2014 O ASN A 126 -8.491 1.812 7.916 1.00 0.00 O ATOM 2015 CB ASN A 126 -10.937 1.869 6.411 1.00 0.00 C ATOM 2016 CG ASN A 126 -11.501 2.613 5.204 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -10.816 3.440 4.606 1.00 0.00 O ATOM 2018 ND2 ASN A 126 -12.723 2.371 4.815 1.00 0.00 N ATOM 0 H ASN A 126 -10.566 4.629 6.411 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.169 2.544 8.434 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.029 1.336 6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -11.652 1.121 6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -13.111 2.868 4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -13.290 1.684 5.312 1.00 0.00 H new ATOM 2025 N GLY A 127 -8.588 4.055 8.044 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.174 4.179 8.369 1.00 0.00 C ATOM 2027 C GLY A 127 -6.521 5.308 7.595 1.00 0.00 C ATOM 2028 O GLY A 127 -7.047 6.419 7.532 1.00 0.00 O ATOM 0 H GLY A 127 -9.093 4.939 7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.060 4.356 9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -6.665 3.241 8.145 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.368 5.014 7.012 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.637 6.007 6.242 1.00 0.00 C ATOM 2034 C VAL A 128 -4.166 5.413 4.929 1.00 0.00 C ATOM 2035 O VAL A 128 -4.172 4.196 4.749 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.436 6.506 7.047 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.180 5.695 6.704 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -3.192 7.981 6.734 1.00 0.00 C ATOM 0 H VAL A 128 -4.920 4.099 7.058 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.301 6.845 6.029 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.651 6.383 8.108 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.337 6.066 7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.350 4.644 6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.959 5.798 5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.336 8.338 7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.990 8.098 5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.075 8.561 7.002 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.757 6.284 4.021 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.277 5.845 2.721 1.00 0.00 C ATOM 2050 C ILE A 129 -1.769 6.062 2.588 1.00 0.00 C ATOM 2051 O ILE A 129 -1.215 7.019 3.145 1.00 0.00 O ATOM 2052 CB ILE A 129 -3.997 6.622 1.617 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.460 6.178 1.535 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.310 6.361 0.276 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.295 7.294 0.901 1.00 0.00 C ATOM 0 H ILE A 129 -3.748 7.295 4.159 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.484 4.779 2.625 1.00 0.00 H new ATOM 0 HB ILE A 129 -3.958 7.687 1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.542 5.266 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -5.838 5.947 2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -3.824 6.915 -0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.271 6.687 0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.345 5.295 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.337 6.980 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.222 8.195 1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.922 7.503 -0.101 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.112 5.180 1.832 1.00 0.00 N ATOM 2068 CA HIS A 130 0.323 5.306 1.611 1.00 0.00 C ATOM 2069 C HIS A 130 0.631 5.044 0.142 1.00 0.00 C ATOM 2070 O HIS A 130 0.531 3.915 -0.331 1.00 0.00 O ATOM 2071 CB HIS A 130 1.079 4.318 2.504 1.00 0.00 C ATOM 2072 CG HIS A 130 2.559 4.598 2.493 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.369 4.241 3.557 1.00 0.00 N ATOM 2074 CD2 HIS A 130 3.395 5.165 1.560 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.628 4.589 3.247 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.702 5.158 2.040 1.00 0.00 N ATOM 0 H HIS A 130 -1.547 4.382 1.369 1.00 0.00 H new ATOM 0 HA HIS A 130 0.646 6.315 1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.701 4.383 3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.896 3.300 2.161 1.00 0.00 H new ATOM 0 HD1 HIS A 130 3.064 3.794 4.422 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.085 5.556 0.602 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.478 4.429 3.894 1.00 0.00 H new ATOM 0 HE2 HIS A 130 5.536 5.511 1.571 1.00 0.00 H new ATOM 2085 N VAL A 131 1.012 6.104 -0.565 1.00 0.00 N ATOM 2086 CA VAL A 131 1.335 5.998 -1.987 1.00 0.00 C ATOM 2087 C VAL A 131 2.836 6.079 -2.198 1.00 0.00 C ATOM 2088 O VAL A 131 3.463 7.087 -1.852 1.00 0.00 O ATOM 2089 CB VAL A 131 0.653 7.121 -2.775 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.895 6.930 -4.278 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -0.850 7.091 -2.504 1.00 0.00 C ATOM 0 H VAL A 131 1.105 7.044 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 131 0.973 5.034 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 131 1.069 8.078 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.406 7.733 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.966 6.950 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.485 5.971 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.337 7.890 -3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.257 6.129 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.030 7.233 -1.438 1.00 0.00 H new ATOM 2101 N VAL A 132 3.402 5.021 -2.776 1.00 0.00 N ATOM 2102 CA VAL A 132 4.843 4.981 -3.033 1.00 0.00 C ATOM 2103 C VAL A 132 5.149 5.060 -4.528 1.00 0.00 C ATOM 2104 O VAL A 132 4.247 4.981 -5.370 1.00 0.00 O ATOM 2105 CB VAL A 132 5.442 3.699 -2.453 1.00 0.00 C ATOM 2106 CG1 VAL A 132 5.212 3.673 -0.941 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.768 2.483 -3.091 1.00 0.00 C ATOM 0 H VAL A 132 2.893 4.188 -3.073 1.00 0.00 H new ATOM 0 HA VAL A 132 5.291 5.849 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 132 6.511 3.670 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.638 2.760 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.692 4.539 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.142 3.701 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.196 1.570 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.698 2.509 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.928 2.502 -4.169 1.00 0.00 H new ATOM 2117 N ASP A 133 6.433 5.222 -4.845 1.00 0.00 N ATOM 2118 CA ASP A 133 6.873 5.318 -6.234 1.00 0.00 C ATOM 2119 C ASP A 133 7.648 4.072 -6.643 1.00 0.00 C ATOM 2120 O ASP A 133 8.534 4.129 -7.495 1.00 0.00 O ATOM 2121 CB ASP A 133 7.757 6.553 -6.414 1.00 0.00 C ATOM 2122 CG ASP A 133 9.106 6.333 -5.738 1.00 0.00 C ATOM 2123 OD1 ASP A 133 10.084 6.176 -6.448 1.00 0.00 O ATOM 2124 OD2 ASP A 133 9.139 6.324 -4.518 1.00 0.00 O ATOM 0 H ASP A 133 7.185 5.289 -4.159 1.00 0.00 H new ATOM 0 HA ASP A 133 5.991 5.404 -6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.902 6.755 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 133 7.266 7.427 -5.987 1.00 0.00 H new ATOM 2129 N LYS A 134 7.293 2.942 -6.042 1.00 0.00 N ATOM 2130 CA LYS A 134 7.942 1.673 -6.358 1.00 0.00 C ATOM 2131 C LYS A 134 7.221 0.526 -5.652 1.00 0.00 C ATOM 2132 O LYS A 134 6.667 0.707 -4.569 1.00 0.00 O ATOM 2133 CB LYS A 134 9.426 1.727 -5.948 1.00 0.00 C ATOM 2134 CG LYS A 134 9.842 0.455 -5.187 1.00 0.00 C ATOM 2135 CD LYS A 134 11.352 0.467 -4.933 1.00 0.00 C ATOM 2136 CE LYS A 134 11.706 -0.671 -3.972 1.00 0.00 C ATOM 2137 NZ LYS A 134 13.165 -0.962 -4.050 1.00 0.00 N ATOM 0 H LYS A 134 6.561 2.878 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 134 7.889 1.498 -7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 134 10.047 1.842 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.601 2.602 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.306 0.396 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 134 9.569 -0.429 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.892 0.348 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.655 1.425 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.435 -0.396 -2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.134 -1.564 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.400 -1.735 -3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.412 -1.243 -5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.703 -0.111 -3.788 1.00 0.00 H new ATOM 2151 N LEU A 135 7.249 -0.656 -6.261 1.00 0.00 N ATOM 2152 CA LEU A 135 6.610 -1.823 -5.663 1.00 0.00 C ATOM 2153 C LEU A 135 7.607 -2.543 -4.763 1.00 0.00 C ATOM 2154 O LEU A 135 8.757 -2.760 -5.144 1.00 0.00 O ATOM 2155 CB LEU A 135 6.107 -2.773 -6.763 1.00 0.00 C ATOM 2156 CG LEU A 135 5.383 -3.996 -6.161 1.00 0.00 C ATOM 2157 CD1 LEU A 135 3.940 -3.634 -5.803 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.366 -5.124 -7.195 1.00 0.00 C ATOM 0 H LEU A 135 7.702 -0.830 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 135 5.757 -1.500 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.429 -2.237 -7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.948 -3.108 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 135 5.909 -4.312 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.441 -4.505 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.938 -2.824 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.412 -3.314 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.856 -5.992 -6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.840 -4.790 -8.090 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.389 -5.394 -7.455 1.00 0.00 H new ATOM 2170 N LEU A 136 7.158 -2.917 -3.572 1.00 0.00 N ATOM 2171 CA LEU A 136 8.021 -3.617 -2.633 1.00 0.00 C ATOM 2172 C LEU A 136 7.975 -5.117 -2.907 1.00 0.00 C ATOM 2173 O LEU A 136 7.081 -5.817 -2.433 1.00 0.00 O ATOM 2174 CB LEU A 136 7.571 -3.338 -1.200 1.00 0.00 C ATOM 2175 CG LEU A 136 7.196 -1.861 -1.053 1.00 0.00 C ATOM 2176 CD1 LEU A 136 6.954 -1.548 0.420 1.00 0.00 C ATOM 2177 CD2 LEU A 136 8.335 -0.983 -1.582 1.00 0.00 C ATOM 0 H LEU A 136 6.210 -2.749 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 136 9.044 -3.261 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.717 -3.966 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.369 -3.591 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 136 6.291 -1.657 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.687 -0.497 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.142 -2.170 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.861 -1.753 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.064 0.067 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.243 -1.183 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.509 -1.208 -2.634 1.00 0.00 H new ATOM 2189 N TYR A 137 8.934 -5.600 -3.690 1.00 0.00 N ATOM 2190 CA TYR A 137 8.979 -7.015 -4.035 1.00 0.00 C ATOM 2191 C TYR A 137 9.196 -7.869 -2.782 1.00 0.00 C ATOM 2192 O TYR A 137 9.773 -7.400 -1.800 1.00 0.00 O ATOM 2193 CB TYR A 137 10.119 -7.253 -5.031 1.00 0.00 C ATOM 2194 CG TYR A 137 9.663 -6.861 -6.416 1.00 0.00 C ATOM 2195 CD1 TYR A 137 9.761 -5.528 -6.835 1.00 0.00 C ATOM 2196 CD2 TYR A 137 9.140 -7.829 -7.281 1.00 0.00 C ATOM 2197 CE1 TYR A 137 9.336 -5.164 -8.118 1.00 0.00 C ATOM 2198 CE2 TYR A 137 8.715 -7.465 -8.566 1.00 0.00 C ATOM 2199 CZ TYR A 137 8.813 -6.133 -8.983 1.00 0.00 C ATOM 2200 OH TYR A 137 8.394 -5.774 -10.249 1.00 0.00 O ATOM 0 H TYR A 137 9.683 -5.038 -4.094 1.00 0.00 H new ATOM 0 HA TYR A 137 8.029 -7.302 -4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 137 10.994 -6.670 -4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 137 10.416 -8.302 -5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 137 10.165 -4.781 -6.168 1.00 0.00 H new ATOM 0 HD2 TYR A 137 9.064 -8.857 -6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 137 9.411 -4.136 -8.441 1.00 0.00 H new ATOM 0 HE2 TYR A 137 8.312 -8.212 -9.234 1.00 0.00 H new ATOM 0 HH TYR A 137 7.821 -6.479 -10.616 1.00 0.00 H new ATOM 2210 N PRO A 138 8.763 -9.110 -2.794 1.00 0.00 N ATOM 2211 CA PRO A 138 8.933 -10.026 -1.633 1.00 0.00 C ATOM 2212 C PRO A 138 10.273 -9.836 -0.932 1.00 0.00 C ATOM 2213 O PRO A 138 10.327 -9.461 0.241 1.00 0.00 O ATOM 2214 CB PRO A 138 8.840 -11.411 -2.266 1.00 0.00 C ATOM 2215 CG PRO A 138 7.945 -11.244 -3.453 1.00 0.00 C ATOM 2216 CD PRO A 138 8.052 -9.781 -3.900 1.00 0.00 C ATOM 0 HA PRO A 138 8.189 -9.849 -0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 138 9.824 -11.774 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 138 8.431 -12.137 -1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 138 8.245 -11.915 -4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 138 6.915 -11.494 -3.197 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.601 -9.691 -4.838 1.00 0.00 H new ATOM 0 HD3 PRO A 138 7.068 -9.342 -4.064 1.00 0.00 H new ATOM 2224 N ALA A 139 11.345 -10.100 -1.659 1.00 0.00 N ATOM 2225 CA ALA A 139 12.689 -9.963 -1.108 1.00 0.00 C ATOM 2226 C ALA A 139 13.372 -8.710 -1.646 1.00 0.00 C ATOM 2227 O ALA A 139 12.908 -7.592 -1.418 1.00 0.00 O ATOM 2228 CB ALA A 139 13.524 -11.193 -1.465 1.00 0.00 C ATOM 0 H ALA A 139 11.315 -10.410 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 139 12.607 -9.877 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 139 14.526 -11.085 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 139 13.054 -12.085 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 139 13.588 -11.288 -2.549 1.00 0.00 H new ATOM 2234 N ASP A 140 14.478 -8.904 -2.357 1.00 0.00 N ATOM 2235 CA ASP A 140 15.221 -7.783 -2.921 1.00 0.00 C ATOM 2236 C ASP A 140 14.782 -7.516 -4.356 1.00 0.00 C ATOM 2237 O ASP A 140 14.707 -6.366 -4.789 1.00 0.00 O ATOM 2238 CB ASP A 140 16.722 -8.082 -2.892 1.00 0.00 C ATOM 2239 CG ASP A 140 17.469 -6.939 -2.216 1.00 0.00 C ATOM 2240 OD1 ASP A 140 17.157 -6.644 -1.075 1.00 0.00 O ATOM 2241 OD2 ASP A 140 18.346 -6.374 -2.851 1.00 0.00 O ATOM 0 H ASP A 140 14.878 -9.821 -2.555 1.00 0.00 H new ATOM 0 HA ASP A 140 15.016 -6.897 -2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 140 16.905 -9.014 -2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 140 17.093 -8.220 -3.908 1.00 0.00 H new TER 2246 ASP A 140