USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 683 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 11 THR OG1 : rot 178:sc= 0 USER MOD Set 1.2: A 18 LYS NZ :NH3+ 155:sc= -0.0819 (180deg=-0.514) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0257 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.226 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 72:sc= 0.0312 USER MOD Single : A 14 HIS : no HE2:sc= -4.34 K(o=-4.3,f=-8.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.466 K(o=-0.47,f=-1.9) USER MOD Single : A 19 HIS : no HD1:sc= -0.0181 X(o=-0.018,f=-0.018) USER MOD Single : A 22 HIS : no HE2:sc= -3.5! X(o=-3.5!,f=-3.8) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 130:sc= -0.685 USER MOD Single : A 26 GLN : amide:sc= -6.2! K(o=-6.2!,f=-2.8) USER MOD Single : A 27 GLN : amide:sc= -0.0242 K(o=-0.024,f=-1.3!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -36:sc= 0.0215 USER MOD Single : A 35 GLN : amide:sc= -1.64 K(o=-1.6,f=-3.3!) USER MOD Single : A 39 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 50 SER OG : rot 180:sc= -0.228 USER MOD Single : A 52 GLN : amide:sc= -0.565 K(o=-0.56,f=-4.3!) USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= -0.0344 (180deg=-0.291) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.013 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -170:sc= -1.07 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -149:sc= 0 (180deg=-0.014) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 29:sc= 0.192 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.787 11.673 18.876 1.00 0.00 N ATOM 2 CA GLY A 1 20.221 10.677 17.985 1.00 0.00 C ATOM 3 C GLY A 1 19.400 11.297 16.871 1.00 0.00 C ATOM 4 O GLY A 1 19.703 12.394 16.404 1.00 0.00 O ATOM 0 H1 GLY A 1 21.807 11.501 18.985 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.636 12.621 18.477 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.324 11.611 19.805 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.025 10.082 17.552 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.593 9.995 18.559 1.00 0.00 H new ATOM 8 N SER A 2 18.359 10.591 16.443 1.00 0.00 N ATOM 9 CA SER A 2 17.495 11.075 15.373 1.00 0.00 C ATOM 10 C SER A 2 16.648 12.251 15.849 1.00 0.00 C ATOM 11 O SER A 2 15.896 12.137 16.817 1.00 0.00 O ATOM 12 CB SER A 2 16.588 9.949 14.871 1.00 0.00 C ATOM 13 OG SER A 2 15.881 9.348 15.942 1.00 0.00 O ATOM 0 H SER A 2 18.093 9.682 16.821 1.00 0.00 H new ATOM 0 HA SER A 2 18.129 11.414 14.553 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.882 10.345 14.141 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.187 9.196 14.359 1.00 0.00 H new ATOM 0 HG SER A 2 15.667 10.028 16.615 1.00 0.00 H new ATOM 19 N SER A 3 16.775 13.381 15.160 1.00 0.00 N ATOM 20 CA SER A 3 16.025 14.580 15.514 1.00 0.00 C ATOM 21 C SER A 3 14.590 14.231 15.895 1.00 0.00 C ATOM 22 O SER A 3 14.126 14.564 16.985 1.00 0.00 O ATOM 23 CB SER A 3 16.028 15.572 14.349 1.00 0.00 C ATOM 24 OG SER A 3 15.935 16.907 14.814 1.00 0.00 O ATOM 0 H SER A 3 17.390 13.491 14.354 1.00 0.00 H new ATOM 0 HA SER A 3 16.510 15.040 16.375 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.941 15.450 13.766 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.193 15.357 13.682 1.00 0.00 H new ATOM 0 HG SER A 3 15.941 17.521 14.050 1.00 0.00 H new ATOM 30 N GLY A 4 13.890 13.556 14.987 1.00 0.00 N ATOM 31 CA GLY A 4 12.515 13.172 15.246 1.00 0.00 C ATOM 32 C GLY A 4 11.823 12.628 14.011 1.00 0.00 C ATOM 33 O GLY A 4 11.812 13.272 12.963 1.00 0.00 O ATOM 0 H GLY A 4 14.251 13.269 14.077 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.494 12.418 16.033 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.963 14.036 15.617 1.00 0.00 H new ATOM 37 N SER A 5 11.246 11.437 14.135 1.00 0.00 N ATOM 38 CA SER A 5 10.554 10.803 13.019 1.00 0.00 C ATOM 39 C SER A 5 9.323 11.609 12.616 1.00 0.00 C ATOM 40 O SER A 5 8.645 12.193 13.461 1.00 0.00 O ATOM 41 CB SER A 5 10.145 9.376 13.389 1.00 0.00 C ATOM 42 OG SER A 5 9.218 8.853 12.453 1.00 0.00 O ATOM 0 H SER A 5 11.244 10.892 14.997 1.00 0.00 H new ATOM 0 HA SER A 5 11.238 10.768 12.171 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.029 8.739 13.426 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.704 9.367 14.386 1.00 0.00 H new ATOM 0 HG SER A 5 8.973 7.940 12.710 1.00 0.00 H new ATOM 48 N SER A 6 9.040 11.635 11.317 1.00 0.00 N ATOM 49 CA SER A 6 7.893 12.372 10.799 1.00 0.00 C ATOM 50 C SER A 6 6.778 11.418 10.380 1.00 0.00 C ATOM 51 O SER A 6 6.588 11.150 9.195 1.00 0.00 O ATOM 52 CB SER A 6 8.311 13.239 9.610 1.00 0.00 C ATOM 53 OG SER A 6 7.438 14.344 9.452 1.00 0.00 O ATOM 0 H SER A 6 9.589 11.154 10.604 1.00 0.00 H new ATOM 0 HA SER A 6 7.517 13.016 11.594 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.331 13.595 9.757 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.311 12.639 8.700 1.00 0.00 H new ATOM 0 HG SER A 6 7.728 14.883 8.687 1.00 0.00 H new ATOM 59 N GLY A 7 6.044 10.907 11.364 1.00 0.00 N ATOM 60 CA GLY A 7 4.957 9.988 11.078 1.00 0.00 C ATOM 61 C GLY A 7 3.598 10.652 11.169 1.00 0.00 C ATOM 62 O GLY A 7 3.487 11.801 11.598 1.00 0.00 O ATOM 0 H GLY A 7 6.182 11.113 12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.089 9.573 10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.998 9.153 11.777 1.00 0.00 H new ATOM 66 N LEU A 8 2.560 9.928 10.763 1.00 0.00 N ATOM 67 CA LEU A 8 1.200 10.455 10.798 1.00 0.00 C ATOM 68 C LEU A 8 0.255 9.475 11.486 1.00 0.00 C ATOM 69 O LEU A 8 0.487 8.265 11.483 1.00 0.00 O ATOM 70 CB LEU A 8 0.707 10.746 9.379 1.00 0.00 C ATOM 71 CG LEU A 8 0.744 9.571 8.402 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.363 9.701 7.368 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.104 9.484 7.723 1.00 0.00 C ATOM 0 H LEU A 8 2.634 8.975 10.406 1.00 0.00 H new ATOM 0 HA LEU A 8 1.211 11.383 11.369 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.319 11.110 9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.309 11.555 8.966 1.00 0.00 H new ATOM 0 HG LEU A 8 0.581 8.651 8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.321 8.856 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.330 9.712 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.233 10.628 6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.112 8.642 7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.297 10.406 7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.879 9.342 8.477 1.00 0.00 H new ATOM 85 N THR A 9 -0.814 10.004 12.073 1.00 0.00 N ATOM 86 CA THR A 9 -1.795 9.177 12.764 1.00 0.00 C ATOM 87 C THR A 9 -3.046 8.983 11.914 1.00 0.00 C ATOM 88 O THR A 9 -3.901 9.865 11.839 1.00 0.00 O ATOM 89 CB THR A 9 -2.198 9.794 14.116 1.00 0.00 C ATOM 90 OG1 THR A 9 -1.036 9.997 14.927 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.183 8.896 14.849 1.00 0.00 C ATOM 0 H THR A 9 -1.022 11.002 12.083 1.00 0.00 H new ATOM 0 HA THR A 9 -1.325 8.210 12.941 1.00 0.00 H new ATOM 0 HB THR A 9 -2.679 10.753 13.924 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.300 10.391 15.784 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.453 9.353 15.801 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.079 8.767 14.242 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.724 7.924 15.030 1.00 0.00 H new ATOM 99 N VAL A 10 -3.148 7.821 11.276 1.00 0.00 N ATOM 100 CA VAL A 10 -4.296 7.510 10.433 1.00 0.00 C ATOM 101 C VAL A 10 -4.937 6.189 10.843 1.00 0.00 C ATOM 102 O VAL A 10 -4.245 5.214 11.135 1.00 0.00 O ATOM 103 CB VAL A 10 -3.897 7.435 8.947 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.624 6.620 8.776 1.00 0.00 C ATOM 105 CG2 VAL A 10 -5.031 6.847 8.120 1.00 0.00 C ATOM 0 H VAL A 10 -2.449 7.080 11.327 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.016 8.317 10.568 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.703 8.446 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.358 6.578 7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.814 7.088 9.336 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.786 5.609 9.150 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.732 6.801 7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.258 5.842 8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.916 7.476 8.217 1.00 0.00 H new ATOM 115 N THR A 11 -6.266 6.164 10.862 1.00 0.00 N ATOM 116 CA THR A 11 -7.002 4.963 11.237 1.00 0.00 C ATOM 117 C THR A 11 -7.285 4.089 10.020 1.00 0.00 C ATOM 118 O THR A 11 -7.590 4.593 8.939 1.00 0.00 O ATOM 119 CB THR A 11 -8.335 5.313 11.924 1.00 0.00 C ATOM 120 OG1 THR A 11 -8.092 6.110 13.089 1.00 0.00 O ATOM 121 CG2 THR A 11 -9.090 4.052 12.316 1.00 0.00 C ATOM 0 H THR A 11 -6.855 6.962 10.622 1.00 0.00 H new ATOM 0 HA THR A 11 -6.374 4.413 11.938 1.00 0.00 H new ATOM 0 HB THR A 11 -8.944 5.878 11.218 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.946 6.356 13.501 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.028 4.325 12.799 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.300 3.461 11.424 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.484 3.465 13.006 1.00 0.00 H new ATOM 129 N VAL A 12 -7.181 2.777 10.204 1.00 0.00 N ATOM 130 CA VAL A 12 -7.428 1.832 9.121 1.00 0.00 C ATOM 131 C VAL A 12 -8.673 0.995 9.394 1.00 0.00 C ATOM 132 O VAL A 12 -8.786 0.353 10.438 1.00 0.00 O ATOM 133 CB VAL A 12 -6.226 0.891 8.912 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.593 -0.242 7.966 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.027 1.668 8.388 1.00 0.00 C ATOM 0 H VAL A 12 -6.928 2.344 11.092 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.581 2.421 8.217 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.956 0.455 9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.732 -0.896 7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.420 -0.814 8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.890 0.171 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.187 0.988 8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.283 2.133 7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.752 2.440 9.106 1.00 0.00 H new ATOM 145 N THR A 13 -9.606 1.006 8.448 1.00 0.00 N ATOM 146 CA THR A 13 -10.844 0.249 8.586 1.00 0.00 C ATOM 147 C THR A 13 -10.703 -1.148 7.993 1.00 0.00 C ATOM 148 O THR A 13 -10.742 -1.323 6.775 1.00 0.00 O ATOM 149 CB THR A 13 -12.022 0.968 7.902 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.047 2.346 8.290 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.343 0.309 8.266 1.00 0.00 C ATOM 0 H THR A 13 -9.528 1.531 7.577 1.00 0.00 H new ATOM 0 HA THR A 13 -11.048 0.169 9.654 1.00 0.00 H new ATOM 0 HB THR A 13 -11.885 0.898 6.823 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.303 2.820 7.863 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.160 0.834 7.771 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.332 -0.732 7.942 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.485 0.352 9.346 1.00 0.00 H new ATOM 159 N HIS A 14 -10.539 -2.141 8.862 1.00 0.00 N ATOM 160 CA HIS A 14 -10.394 -3.524 8.423 1.00 0.00 C ATOM 161 C HIS A 14 -11.448 -4.415 9.075 1.00 0.00 C ATOM 162 O HIS A 14 -11.695 -4.323 10.277 1.00 0.00 O ATOM 163 CB HIS A 14 -8.995 -4.043 8.757 1.00 0.00 C ATOM 164 CG HIS A 14 -8.697 -5.387 8.167 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.834 -6.565 8.871 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.270 -5.736 6.931 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.502 -7.580 8.094 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.156 -7.105 6.912 1.00 0.00 N ATOM 0 H HIS A 14 -10.503 -2.013 9.873 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.537 -3.553 7.343 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.256 -3.326 8.399 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.886 -4.099 9.840 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.143 -6.640 9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.058 -5.064 6.113 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.512 -8.622 8.378 1.00 0.00 H new ATOM 177 N SER A 15 -12.067 -5.275 8.273 1.00 0.00 N ATOM 178 CA SER A 15 -13.097 -6.178 8.770 1.00 0.00 C ATOM 179 C SER A 15 -14.252 -5.397 9.389 1.00 0.00 C ATOM 180 O SER A 15 -14.929 -5.881 10.295 1.00 0.00 O ATOM 181 CB SER A 15 -12.507 -7.141 9.803 1.00 0.00 C ATOM 182 OG SER A 15 -11.960 -8.288 9.176 1.00 0.00 O ATOM 0 H SER A 15 -11.873 -5.365 7.276 1.00 0.00 H new ATOM 0 HA SER A 15 -13.480 -6.752 7.926 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.733 -6.633 10.378 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.282 -7.443 10.508 1.00 0.00 H new ATOM 0 HG SER A 15 -11.588 -8.887 9.857 1.00 0.00 H new ATOM 188 N ASN A 16 -14.471 -4.184 8.892 1.00 0.00 N ATOM 189 CA ASN A 16 -15.543 -3.333 9.396 1.00 0.00 C ATOM 190 C ASN A 16 -15.246 -2.868 10.818 1.00 0.00 C ATOM 191 O ASN A 16 -16.160 -2.631 11.607 1.00 0.00 O ATOM 192 CB ASN A 16 -16.876 -4.083 9.361 1.00 0.00 C ATOM 193 CG ASN A 16 -17.086 -4.829 8.057 1.00 0.00 C ATOM 194 OD1 ASN A 16 -16.415 -4.560 7.061 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.021 -5.772 8.059 1.00 0.00 N ATOM 0 H ASN A 16 -13.920 -3.768 8.141 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.610 -2.456 8.753 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.914 -4.789 10.191 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -17.692 -3.375 9.507 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -18.207 -6.307 7.211 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.553 -5.961 8.909 1.00 0.00 H new ATOM 202 N GLU A 17 -13.962 -2.738 11.136 1.00 0.00 N ATOM 203 CA GLU A 17 -13.545 -2.301 12.463 1.00 0.00 C ATOM 204 C GLU A 17 -12.696 -1.036 12.378 1.00 0.00 C ATOM 205 O GLU A 17 -12.496 -0.480 11.298 1.00 0.00 O ATOM 206 CB GLU A 17 -12.758 -3.410 13.166 1.00 0.00 C ATOM 207 CG GLU A 17 -13.601 -4.624 13.519 1.00 0.00 C ATOM 208 CD GLU A 17 -12.932 -5.521 14.542 1.00 0.00 C ATOM 209 OE1 GLU A 17 -11.865 -6.088 14.225 1.00 0.00 O ATOM 210 OE2 GLU A 17 -13.475 -5.657 15.658 1.00 0.00 O ATOM 0 H GLU A 17 -13.193 -2.929 10.493 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.441 -2.078 13.042 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.935 -3.724 12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.315 -3.008 14.077 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.564 -4.292 13.907 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.802 -5.198 12.614 1.00 0.00 H new ATOM 217 N LYS A 18 -12.198 -0.586 13.525 1.00 0.00 N ATOM 218 CA LYS A 18 -11.370 0.613 13.582 1.00 0.00 C ATOM 219 C LYS A 18 -10.069 0.340 14.330 1.00 0.00 C ATOM 220 O LYS A 18 -10.083 -0.074 15.490 1.00 0.00 O ATOM 221 CB LYS A 18 -12.132 1.753 14.262 1.00 0.00 C ATOM 222 CG LYS A 18 -11.634 3.134 13.873 1.00 0.00 C ATOM 223 CD LYS A 18 -12.258 4.215 14.740 1.00 0.00 C ATOM 224 CE LYS A 18 -11.466 4.429 16.021 1.00 0.00 C ATOM 225 NZ LYS A 18 -10.103 4.963 15.748 1.00 0.00 N ATOM 0 H LYS A 18 -12.354 -1.034 14.428 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.127 0.905 12.560 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.189 1.673 14.010 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.052 1.638 15.343 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.549 3.171 13.968 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.869 3.325 12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.306 5.149 14.180 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.283 3.938 14.987 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.004 5.121 16.669 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.385 3.485 16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.760 5.481 16.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.457 4.175 15.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.139 5.606 14.932 1.00 0.00 H new ATOM 239 N HIS A 19 -8.945 0.576 13.660 1.00 0.00 N ATOM 240 CA HIS A 19 -7.635 0.357 14.263 1.00 0.00 C ATOM 241 C HIS A 19 -6.701 1.528 13.971 1.00 0.00 C ATOM 242 O HIS A 19 -6.236 1.697 12.844 1.00 0.00 O ATOM 243 CB HIS A 19 -7.022 -0.943 13.743 1.00 0.00 C ATOM 244 CG HIS A 19 -7.856 -2.154 14.025 1.00 0.00 C ATOM 245 ND1 HIS A 19 -7.732 -2.901 15.177 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.832 -2.746 13.298 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.594 -3.902 15.145 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.274 -3.830 14.015 1.00 0.00 N ATOM 0 H HIS A 19 -8.915 0.919 12.700 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.766 0.281 15.342 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.871 -0.859 12.667 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.038 -1.077 14.193 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.196 -2.425 12.333 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.721 -4.651 15.912 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -10.008 -4.475 13.723 1.00 0.00 H new ATOM 257 N ASP A 20 -6.432 2.332 14.993 1.00 0.00 N ATOM 258 CA ASP A 20 -5.552 3.487 14.847 1.00 0.00 C ATOM 259 C ASP A 20 -4.107 3.046 14.637 1.00 0.00 C ATOM 260 O ASP A 20 -3.566 2.262 15.418 1.00 0.00 O ATOM 261 CB ASP A 20 -5.650 4.388 16.078 1.00 0.00 C ATOM 262 CG ASP A 20 -5.209 3.685 17.347 1.00 0.00 C ATOM 263 OD1 ASP A 20 -5.535 2.491 17.507 1.00 0.00 O ATOM 264 OD2 ASP A 20 -4.537 4.330 18.180 1.00 0.00 O ATOM 0 H ASP A 20 -6.810 2.206 15.932 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.872 4.048 13.969 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.035 5.275 15.925 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.679 4.729 16.194 1.00 0.00 H new ATOM 269 N LEU A 21 -3.488 3.553 13.577 1.00 0.00 N ATOM 270 CA LEU A 21 -2.105 3.211 13.263 1.00 0.00 C ATOM 271 C LEU A 21 -1.260 4.469 13.083 1.00 0.00 C ATOM 272 O LEU A 21 -1.742 5.488 12.587 1.00 0.00 O ATOM 273 CB LEU A 21 -2.045 2.358 11.995 1.00 0.00 C ATOM 274 CG LEU A 21 -3.059 1.217 11.905 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.999 0.555 10.538 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.811 0.195 13.006 1.00 0.00 C ATOM 0 H LEU A 21 -3.921 4.202 12.920 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.700 2.639 14.098 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.186 3.012 11.134 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.044 1.935 11.913 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.057 1.633 12.040 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.728 -0.254 10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.227 1.291 9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.000 0.153 10.372 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.542 -0.610 12.927 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.807 -0.215 12.902 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.907 0.678 13.979 1.00 0.00 H new ATOM 288 N HIS A 22 0.004 4.389 13.488 1.00 0.00 N ATOM 289 CA HIS A 22 0.917 5.521 13.369 1.00 0.00 C ATOM 290 C HIS A 22 1.949 5.273 12.273 1.00 0.00 C ATOM 291 O HIS A 22 2.941 4.576 12.486 1.00 0.00 O ATOM 292 CB HIS A 22 1.622 5.776 14.701 1.00 0.00 C ATOM 293 CG HIS A 22 2.931 6.490 14.558 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.973 6.335 15.448 1.00 0.00 N ATOM 295 CD2 HIS A 22 3.365 7.364 13.621 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.991 7.086 15.066 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.648 7.720 13.959 1.00 0.00 N ATOM 0 H HIS A 22 0.419 3.554 13.901 1.00 0.00 H new ATOM 0 HA HIS A 22 0.333 6.401 13.101 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.966 6.363 15.344 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.790 4.823 15.202 1.00 0.00 H new ATOM 0 HD1 HIS A 22 3.960 5.734 16.272 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.807 7.716 12.766 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.941 7.168 15.572 1.00 0.00 H new ATOM 306 N VAL A 23 1.708 5.847 11.098 1.00 0.00 N ATOM 307 CA VAL A 23 2.616 5.689 9.969 1.00 0.00 C ATOM 308 C VAL A 23 3.915 6.452 10.197 1.00 0.00 C ATOM 309 O VAL A 23 3.923 7.518 10.814 1.00 0.00 O ATOM 310 CB VAL A 23 1.971 6.176 8.657 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.766 5.686 7.457 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.524 5.715 8.573 1.00 0.00 C ATOM 0 H VAL A 23 0.891 6.426 10.904 1.00 0.00 H new ATOM 0 HA VAL A 23 2.834 4.624 9.885 1.00 0.00 H new ATOM 0 HB VAL A 23 1.983 7.266 8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.295 6.040 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.784 6.070 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.789 4.596 7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.083 6.067 7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.487 4.626 8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.037 6.121 9.415 1.00 0.00 H new ATOM 322 N THR A 24 5.016 5.901 9.696 1.00 0.00 N ATOM 323 CA THR A 24 6.323 6.529 9.845 1.00 0.00 C ATOM 324 C THR A 24 7.068 6.571 8.516 1.00 0.00 C ATOM 325 O THR A 24 6.795 5.778 7.615 1.00 0.00 O ATOM 326 CB THR A 24 7.187 5.787 10.882 1.00 0.00 C ATOM 327 OG1 THR A 24 7.224 4.388 10.579 1.00 0.00 O ATOM 328 CG2 THR A 24 6.642 5.992 12.287 1.00 0.00 C ATOM 0 H THR A 24 5.028 5.020 9.183 1.00 0.00 H new ATOM 0 HA THR A 24 6.147 7.547 10.191 1.00 0.00 H new ATOM 0 HB THR A 24 8.197 6.195 10.838 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.777 3.924 11.242 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.269 5.459 13.002 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.643 7.055 12.526 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.623 5.609 12.341 1.00 0.00 H new ATOM 336 N SER A 25 8.011 7.501 8.401 1.00 0.00 N ATOM 337 CA SER A 25 8.794 7.648 7.180 1.00 0.00 C ATOM 338 C SER A 25 9.952 6.655 7.154 1.00 0.00 C ATOM 339 O SER A 25 10.200 5.950 8.131 1.00 0.00 O ATOM 340 CB SER A 25 9.329 9.077 7.061 1.00 0.00 C ATOM 341 OG SER A 25 8.460 10.001 7.693 1.00 0.00 O ATOM 0 H SER A 25 8.251 8.164 9.138 1.00 0.00 H new ATOM 0 HA SER A 25 8.141 7.440 6.332 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.319 9.137 7.513 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.442 9.340 6.009 1.00 0.00 H new ATOM 0 HG SER A 25 8.976 10.576 8.296 1.00 0.00 H new ATOM 347 N GLN A 26 10.658 6.608 6.029 1.00 0.00 N ATOM 348 CA GLN A 26 11.790 5.702 5.875 1.00 0.00 C ATOM 349 C GLN A 26 13.096 6.394 6.250 1.00 0.00 C ATOM 350 O GLN A 26 14.105 6.248 5.561 1.00 0.00 O ATOM 351 CB GLN A 26 11.866 5.187 4.437 1.00 0.00 C ATOM 352 CG GLN A 26 10.531 4.706 3.891 1.00 0.00 C ATOM 353 CD GLN A 26 9.680 5.837 3.348 1.00 0.00 C ATOM 354 OE1 GLN A 26 9.859 6.273 2.211 1.00 0.00 O ATOM 355 NE2 GLN A 26 8.747 6.319 4.161 1.00 0.00 N ATOM 0 H GLN A 26 10.466 7.186 5.211 1.00 0.00 H new ATOM 0 HA GLN A 26 11.642 4.858 6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.246 5.982 3.795 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.584 4.368 4.391 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.708 3.977 3.100 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.984 4.192 4.681 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.633 5.927 5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.144 7.081 3.850 1.00 0.00 H new ATOM 364 N GLN A 27 13.068 7.147 7.344 1.00 0.00 N ATOM 365 CA GLN A 27 14.251 7.862 7.809 1.00 0.00 C ATOM 366 C GLN A 27 15.042 8.428 6.634 1.00 0.00 C ATOM 367 O GLN A 27 16.252 8.628 6.726 1.00 0.00 O ATOM 368 CB GLN A 27 15.141 6.935 8.639 1.00 0.00 C ATOM 369 CG GLN A 27 16.025 7.669 9.633 1.00 0.00 C ATOM 370 CD GLN A 27 17.098 6.779 10.229 1.00 0.00 C ATOM 371 OE1 GLN A 27 17.529 5.807 9.609 1.00 0.00 O ATOM 372 NE2 GLN A 27 17.536 7.108 11.439 1.00 0.00 N ATOM 0 H GLN A 27 12.240 7.278 7.925 1.00 0.00 H new ATOM 0 HA GLN A 27 13.920 8.691 8.434 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.511 6.228 9.179 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.771 6.352 7.967 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.496 8.517 9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 27 15.406 8.072 10.435 1.00 0.00 H new ATOM 0 HE21 GLN A 27 17.151 7.923 11.917 1.00 0.00 H new ATOM 0 HE22 GLN A 27 18.258 6.546 11.890 1.00 0.00 H new ATOM 381 N GLY A 28 14.348 8.683 5.529 1.00 0.00 N ATOM 382 CA GLY A 28 15.003 9.223 4.351 1.00 0.00 C ATOM 383 C GLY A 28 14.321 10.473 3.830 1.00 0.00 C ATOM 384 O GLY A 28 14.890 11.563 3.877 1.00 0.00 O ATOM 0 H GLY A 28 13.345 8.526 5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.042 9.452 4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.016 8.466 3.567 1.00 0.00 H new ATOM 388 N SER A 29 13.099 10.314 3.331 1.00 0.00 N ATOM 389 CA SER A 29 12.341 11.438 2.794 1.00 0.00 C ATOM 390 C SER A 29 11.755 12.285 3.920 1.00 0.00 C ATOM 391 O SER A 29 11.440 11.776 4.995 1.00 0.00 O ATOM 392 CB SER A 29 11.220 10.936 1.882 1.00 0.00 C ATOM 393 OG SER A 29 10.951 11.864 0.846 1.00 0.00 O ATOM 0 H SER A 29 12.613 9.418 3.288 1.00 0.00 H new ATOM 0 HA SER A 29 13.022 12.059 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.501 9.976 1.450 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.317 10.769 2.469 1.00 0.00 H new ATOM 0 HG SER A 29 10.232 11.519 0.276 1.00 0.00 H new ATOM 399 N SER A 30 11.613 13.582 3.663 1.00 0.00 N ATOM 400 CA SER A 30 11.068 14.502 4.655 1.00 0.00 C ATOM 401 C SER A 30 9.666 14.076 5.079 1.00 0.00 C ATOM 402 O SER A 30 9.146 14.539 6.094 1.00 0.00 O ATOM 403 CB SER A 30 11.034 15.926 4.096 1.00 0.00 C ATOM 404 OG SER A 30 10.687 16.860 5.103 1.00 0.00 O ATOM 0 H SER A 30 11.868 14.019 2.777 1.00 0.00 H new ATOM 0 HA SER A 30 11.716 14.478 5.531 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.009 16.180 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.314 15.983 3.279 1.00 0.00 H new ATOM 0 HG SER A 30 10.023 16.462 5.703 1.00 0.00 H new ATOM 410 N GLU A 31 9.060 13.190 4.294 1.00 0.00 N ATOM 411 CA GLU A 31 7.718 12.702 4.588 1.00 0.00 C ATOM 412 C GLU A 31 7.592 11.220 4.248 1.00 0.00 C ATOM 413 O GLU A 31 8.213 10.716 3.313 1.00 0.00 O ATOM 414 CB GLU A 31 6.677 13.506 3.807 1.00 0.00 C ATOM 415 CG GLU A 31 7.130 14.914 3.458 1.00 0.00 C ATOM 416 CD GLU A 31 6.010 15.765 2.893 1.00 0.00 C ATOM 417 OE1 GLU A 31 4.940 15.840 3.533 1.00 0.00 O ATOM 418 OE2 GLU A 31 6.203 16.356 1.810 1.00 0.00 O ATOM 0 H GLU A 31 9.477 12.796 3.451 1.00 0.00 H new ATOM 0 HA GLU A 31 7.538 12.829 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.434 12.973 2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.760 13.564 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.531 15.394 4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.942 14.861 2.733 1.00 0.00 H new ATOM 425 N PRO A 32 6.768 10.503 5.027 1.00 0.00 N ATOM 426 CA PRO A 32 6.540 9.069 4.829 1.00 0.00 C ATOM 427 C PRO A 32 5.751 8.777 3.557 1.00 0.00 C ATOM 428 O PRO A 32 5.229 9.689 2.916 1.00 0.00 O ATOM 429 CB PRO A 32 5.732 8.664 6.065 1.00 0.00 C ATOM 430 CG PRO A 32 5.052 9.916 6.499 1.00 0.00 C ATOM 431 CD PRO A 32 5.994 11.038 6.160 1.00 0.00 C ATOM 0 HA PRO A 32 7.475 8.520 4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.010 7.883 5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.379 8.272 6.850 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.098 10.039 5.987 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.840 9.894 7.568 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.456 11.946 5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.638 11.291 7.003 1.00 0.00 H new ATOM 439 N VAL A 33 5.666 7.500 3.198 1.00 0.00 N ATOM 440 CA VAL A 33 4.939 7.088 2.003 1.00 0.00 C ATOM 441 C VAL A 33 4.017 5.911 2.300 1.00 0.00 C ATOM 442 O VAL A 33 3.907 5.467 3.443 1.00 0.00 O ATOM 443 CB VAL A 33 5.902 6.698 0.867 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.725 7.900 0.427 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.805 5.554 1.303 1.00 0.00 C ATOM 0 H VAL A 33 6.092 6.733 3.718 1.00 0.00 H new ATOM 0 HA VAL A 33 4.342 7.943 1.685 1.00 0.00 H new ATOM 0 HB VAL A 33 5.312 6.361 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.400 7.605 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.059 8.686 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.306 8.271 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.479 5.291 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.388 5.861 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.196 4.688 1.563 1.00 0.00 H new ATOM 455 N VAL A 34 3.355 5.409 1.262 1.00 0.00 N ATOM 456 CA VAL A 34 2.443 4.281 1.411 1.00 0.00 C ATOM 457 C VAL A 34 3.185 3.030 1.868 1.00 0.00 C ATOM 458 O VAL A 34 2.753 2.345 2.795 1.00 0.00 O ATOM 459 CB VAL A 34 1.709 3.975 0.091 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.974 2.647 0.185 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.750 5.103 -0.258 1.00 0.00 C ATOM 0 H VAL A 34 3.433 5.765 0.310 1.00 0.00 H new ATOM 0 HA VAL A 34 1.712 4.563 2.169 1.00 0.00 H new ATOM 0 HB VAL A 34 2.447 3.898 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.461 2.447 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.689 1.849 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.244 2.692 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.240 4.871 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.014 5.215 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.307 6.033 -0.370 1.00 0.00 H new ATOM 471 N GLN A 35 4.304 2.739 1.213 1.00 0.00 N ATOM 472 CA GLN A 35 5.106 1.570 1.553 1.00 0.00 C ATOM 473 C GLN A 35 5.114 1.335 3.060 1.00 0.00 C ATOM 474 O GLN A 35 5.070 0.194 3.520 1.00 0.00 O ATOM 475 CB GLN A 35 6.539 1.743 1.045 1.00 0.00 C ATOM 476 CG GLN A 35 7.387 0.489 1.178 1.00 0.00 C ATOM 477 CD GLN A 35 6.704 -0.741 0.612 1.00 0.00 C ATOM 478 OE1 GLN A 35 6.693 -0.956 -0.600 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.129 -1.555 1.489 1.00 0.00 N ATOM 0 H GLN A 35 4.676 3.297 0.444 1.00 0.00 H new ATOM 0 HA GLN A 35 4.659 0.701 1.070 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.511 2.043 -0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.016 2.554 1.596 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.336 0.641 0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.617 0.320 2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.163 -1.337 2.485 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.654 -2.398 1.167 1.00 0.00 H new ATOM 488 N ASP A 36 5.169 2.421 3.823 1.00 0.00 N ATOM 489 CA ASP A 36 5.182 2.332 5.278 1.00 0.00 C ATOM 490 C ASP A 36 3.798 1.976 5.813 1.00 0.00 C ATOM 491 O ASP A 36 3.660 1.117 6.684 1.00 0.00 O ATOM 492 CB ASP A 36 5.652 3.654 5.887 1.00 0.00 C ATOM 493 CG ASP A 36 7.163 3.738 5.991 1.00 0.00 C ATOM 494 OD1 ASP A 36 7.820 3.933 4.947 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.687 3.610 7.117 1.00 0.00 O ATOM 0 H ASP A 36 5.205 3.373 3.458 1.00 0.00 H new ATOM 0 HA ASP A 36 5.877 1.542 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.286 4.481 5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.215 3.770 6.879 1.00 0.00 H new ATOM 500 N LEU A 37 2.777 2.643 5.287 1.00 0.00 N ATOM 501 CA LEU A 37 1.403 2.398 5.711 1.00 0.00 C ATOM 502 C LEU A 37 1.040 0.924 5.557 1.00 0.00 C ATOM 503 O LEU A 37 0.462 0.319 6.459 1.00 0.00 O ATOM 504 CB LEU A 37 0.435 3.261 4.900 1.00 0.00 C ATOM 505 CG LEU A 37 -1.019 2.790 4.868 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.599 2.756 6.274 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.852 3.691 3.968 1.00 0.00 C ATOM 0 H LEU A 37 2.875 3.358 4.566 1.00 0.00 H new ATOM 0 HA LEU A 37 1.322 2.665 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.459 4.274 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.801 3.316 3.875 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.045 1.779 4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.635 2.419 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.018 2.070 6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.560 3.755 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.884 3.341 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.820 4.713 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.450 3.666 2.955 1.00 0.00 H new ATOM 519 N ALA A 38 1.385 0.352 4.408 1.00 0.00 N ATOM 520 CA ALA A 38 1.100 -1.051 4.137 1.00 0.00 C ATOM 521 C ALA A 38 1.787 -1.957 5.153 1.00 0.00 C ATOM 522 O ALA A 38 1.225 -2.967 5.577 1.00 0.00 O ATOM 523 CB ALA A 38 1.533 -1.415 2.725 1.00 0.00 C ATOM 0 H ALA A 38 1.863 0.839 3.650 1.00 0.00 H new ATOM 0 HA ALA A 38 0.024 -1.201 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.314 -2.466 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.992 -0.798 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.604 -1.243 2.617 1.00 0.00 H new ATOM 529 N GLN A 39 3.005 -1.590 5.538 1.00 0.00 N ATOM 530 CA GLN A 39 3.769 -2.372 6.503 1.00 0.00 C ATOM 531 C GLN A 39 3.159 -2.262 7.897 1.00 0.00 C ATOM 532 O GLN A 39 2.991 -3.263 8.593 1.00 0.00 O ATOM 533 CB GLN A 39 5.225 -1.904 6.532 1.00 0.00 C ATOM 534 CG GLN A 39 6.118 -2.633 5.542 1.00 0.00 C ATOM 535 CD GLN A 39 6.735 -3.888 6.127 1.00 0.00 C ATOM 536 OE1 GLN A 39 7.823 -3.849 6.703 1.00 0.00 O ATOM 537 NE2 GLN A 39 6.042 -5.012 5.983 1.00 0.00 N ATOM 0 H GLN A 39 3.484 -0.757 5.197 1.00 0.00 H new ATOM 0 HA GLN A 39 3.737 -3.417 6.193 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.259 -0.835 6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.622 -2.042 7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.536 -2.897 4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.911 -1.962 5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.144 -4.999 5.499 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.407 -5.888 6.357 1.00 0.00 H new ATOM 546 N VAL A 40 2.830 -1.038 8.299 1.00 0.00 N ATOM 547 CA VAL A 40 2.239 -0.797 9.609 1.00 0.00 C ATOM 548 C VAL A 40 1.036 -1.704 9.844 1.00 0.00 C ATOM 549 O VAL A 40 0.817 -2.188 10.955 1.00 0.00 O ATOM 550 CB VAL A 40 1.799 0.671 9.765 1.00 0.00 C ATOM 551 CG1 VAL A 40 1.084 0.876 11.092 1.00 0.00 C ATOM 552 CG2 VAL A 40 2.997 1.601 9.646 1.00 0.00 C ATOM 0 H VAL A 40 2.963 -0.198 7.736 1.00 0.00 H new ATOM 0 HA VAL A 40 3.008 -1.019 10.349 1.00 0.00 H new ATOM 0 HB VAL A 40 1.101 0.910 8.963 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.781 1.919 11.185 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.202 0.237 11.133 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.756 0.620 11.911 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.668 2.634 9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.721 1.364 10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.462 1.473 8.668 1.00 0.00 H new ATOM 562 N VAL A 41 0.258 -1.931 8.791 1.00 0.00 N ATOM 563 CA VAL A 41 -0.923 -2.781 8.881 1.00 0.00 C ATOM 564 C VAL A 41 -0.535 -4.238 9.107 1.00 0.00 C ATOM 565 O VAL A 41 -0.941 -4.853 10.092 1.00 0.00 O ATOM 566 CB VAL A 41 -1.785 -2.682 7.609 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.966 -3.637 7.689 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.258 -1.252 7.397 1.00 0.00 C ATOM 0 H VAL A 41 0.424 -1.538 7.865 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.504 -2.426 9.732 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.174 -2.969 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.564 -3.553 6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.601 -4.659 7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.581 -3.384 8.553 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.866 -1.200 6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.853 -0.935 8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.395 -0.595 7.292 1.00 0.00 H new ATOM 578 N GLU A 42 0.255 -4.784 8.187 1.00 0.00 N ATOM 579 CA GLU A 42 0.698 -6.170 8.286 1.00 0.00 C ATOM 580 C GLU A 42 1.483 -6.399 9.574 1.00 0.00 C ATOM 581 O GLU A 42 1.527 -7.513 10.095 1.00 0.00 O ATOM 582 CB GLU A 42 1.560 -6.541 7.078 1.00 0.00 C ATOM 583 CG GLU A 42 2.317 -7.847 7.248 1.00 0.00 C ATOM 584 CD GLU A 42 3.678 -7.653 7.888 1.00 0.00 C ATOM 585 OE1 GLU A 42 4.362 -6.667 7.540 1.00 0.00 O ATOM 586 OE2 GLU A 42 4.059 -8.485 8.737 1.00 0.00 O ATOM 0 H GLU A 42 0.601 -4.288 7.366 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.186 -6.807 8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.923 -6.612 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.274 -5.739 6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.726 -8.528 7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.442 -8.320 6.274 1.00 0.00 H new ATOM 593 N GLU A 43 2.100 -5.337 10.081 1.00 0.00 N ATOM 594 CA GLU A 43 2.885 -5.423 11.307 1.00 0.00 C ATOM 595 C GLU A 43 1.996 -5.248 12.535 1.00 0.00 C ATOM 596 O GLU A 43 2.198 -5.900 13.560 1.00 0.00 O ATOM 597 CB GLU A 43 3.989 -4.364 11.309 1.00 0.00 C ATOM 598 CG GLU A 43 5.088 -4.629 10.294 1.00 0.00 C ATOM 599 CD GLU A 43 6.014 -5.753 10.718 1.00 0.00 C ATOM 600 OE1 GLU A 43 6.969 -5.480 11.475 1.00 0.00 O ATOM 601 OE2 GLU A 43 5.784 -6.904 10.293 1.00 0.00 O ATOM 0 H GLU A 43 2.072 -4.407 9.662 1.00 0.00 H new ATOM 0 HA GLU A 43 3.341 -6.412 11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.546 -3.389 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.430 -4.313 12.304 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.638 -4.877 9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.670 -3.719 10.148 1.00 0.00 H new ATOM 608 N VAL A 44 1.010 -4.363 12.424 1.00 0.00 N ATOM 609 CA VAL A 44 0.090 -4.102 13.524 1.00 0.00 C ATOM 610 C VAL A 44 -1.134 -5.008 13.444 1.00 0.00 C ATOM 611 O VAL A 44 -1.381 -5.814 14.341 1.00 0.00 O ATOM 612 CB VAL A 44 -0.373 -2.633 13.532 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.459 -2.420 14.576 1.00 0.00 C ATOM 614 CG2 VAL A 44 0.806 -1.704 13.780 1.00 0.00 C ATOM 0 H VAL A 44 0.828 -3.815 11.583 1.00 0.00 H new ATOM 0 HA VAL A 44 0.633 -4.310 14.446 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.792 -2.398 12.554 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.773 -1.376 14.567 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.313 -3.058 14.348 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.070 -2.673 15.562 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.460 -0.670 13.782 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.257 -1.938 14.744 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.546 -1.837 12.991 1.00 0.00 H new ATOM 624 N ILE A 45 -1.895 -4.870 12.364 1.00 0.00 N ATOM 625 CA ILE A 45 -3.092 -5.678 12.166 1.00 0.00 C ATOM 626 C ILE A 45 -2.747 -7.161 12.085 1.00 0.00 C ATOM 627 O ILE A 45 -3.264 -7.972 12.853 1.00 0.00 O ATOM 628 CB ILE A 45 -3.843 -5.267 10.885 1.00 0.00 C ATOM 629 CG1 ILE A 45 -4.086 -3.756 10.873 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.160 -6.021 10.779 1.00 0.00 C ATOM 631 CD1 ILE A 45 -5.171 -3.326 9.911 1.00 0.00 C ATOM 0 H ILE A 45 -1.704 -4.207 11.613 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.736 -5.504 13.028 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.228 -5.524 10.022 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.354 -3.431 11.878 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.157 -3.249 10.611 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.679 -5.720 9.869 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.964 -7.093 10.748 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.782 -5.791 11.644 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.289 -2.243 9.956 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.896 -3.620 8.898 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.111 -3.805 10.185 1.00 0.00 H new ATOM 643 N GLY A 46 -1.868 -7.509 11.151 1.00 0.00 N ATOM 644 CA GLY A 46 -1.467 -8.894 10.988 1.00 0.00 C ATOM 645 C GLY A 46 -1.867 -9.459 9.639 1.00 0.00 C ATOM 646 O GLY A 46 -1.734 -10.659 9.396 1.00 0.00 O ATOM 0 H GLY A 46 -1.426 -6.856 10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.386 -8.972 11.105 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.917 -9.495 11.778 1.00 0.00 H new ATOM 650 N VAL A 47 -2.360 -8.593 8.759 1.00 0.00 N ATOM 651 CA VAL A 47 -2.781 -9.012 7.428 1.00 0.00 C ATOM 652 C VAL A 47 -1.710 -8.700 6.389 1.00 0.00 C ATOM 653 O VAL A 47 -1.148 -7.605 6.351 1.00 0.00 O ATOM 654 CB VAL A 47 -4.097 -8.328 7.014 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.407 -8.606 5.551 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.240 -8.789 7.907 1.00 0.00 C ATOM 0 H VAL A 47 -2.477 -7.597 8.944 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.938 -10.090 7.471 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.981 -7.251 7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.341 -8.114 5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.599 -8.222 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.504 -9.681 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.163 -8.296 7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.359 -9.869 7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.018 -8.533 8.943 1.00 0.00 H new ATOM 666 N PRO A 48 -1.420 -9.683 5.524 1.00 0.00 N ATOM 667 CA PRO A 48 -0.415 -9.536 4.467 1.00 0.00 C ATOM 668 C PRO A 48 -0.861 -8.572 3.373 1.00 0.00 C ATOM 669 O PRO A 48 -2.052 -8.453 3.085 1.00 0.00 O ATOM 670 CB PRO A 48 -0.280 -10.954 3.907 1.00 0.00 C ATOM 671 CG PRO A 48 -1.583 -11.608 4.211 1.00 0.00 C ATOM 672 CD PRO A 48 -2.051 -11.013 5.511 1.00 0.00 C ATOM 0 HA PRO A 48 0.519 -9.122 4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.085 -10.939 2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.549 -11.487 4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.306 -11.426 3.416 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.467 -12.689 4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.138 -10.943 5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.738 -11.615 6.364 1.00 0.00 H new ATOM 680 N GLN A 49 0.102 -7.886 2.766 1.00 0.00 N ATOM 681 CA GLN A 49 -0.193 -6.932 1.704 1.00 0.00 C ATOM 682 C GLN A 49 -0.926 -7.610 0.551 1.00 0.00 C ATOM 683 O GLN A 49 -1.455 -6.944 -0.338 1.00 0.00 O ATOM 684 CB GLN A 49 1.098 -6.288 1.194 1.00 0.00 C ATOM 685 CG GLN A 49 1.943 -5.665 2.294 1.00 0.00 C ATOM 686 CD GLN A 49 3.125 -4.887 1.752 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.210 -4.619 0.553 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.047 -4.519 2.635 1.00 0.00 N ATOM 0 H GLN A 49 1.093 -7.973 2.992 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.839 -6.157 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.690 -7.042 0.675 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.847 -5.521 0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.320 -5.001 2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.304 -6.450 2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.936 -4.762 3.619 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.865 -3.993 2.329 1.00 0.00 H new ATOM 697 N SER A 50 -0.952 -8.938 0.573 1.00 0.00 N ATOM 698 CA SER A 50 -1.617 -9.707 -0.472 1.00 0.00 C ATOM 699 C SER A 50 -3.090 -9.920 -0.137 1.00 0.00 C ATOM 700 O SER A 50 -3.899 -10.231 -1.012 1.00 0.00 O ATOM 701 CB SER A 50 -0.925 -11.059 -0.659 1.00 0.00 C ATOM 702 OG SER A 50 -0.647 -11.667 0.591 1.00 0.00 O ATOM 0 H SER A 50 -0.520 -9.504 1.303 1.00 0.00 H new ATOM 0 HA SER A 50 -1.552 -9.141 -1.401 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.559 -11.716 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.003 -10.922 -1.215 1.00 0.00 H new ATOM 0 HG SER A 50 -0.207 -12.530 0.444 1.00 0.00 H new ATOM 708 N PHE A 51 -3.431 -9.749 1.136 1.00 0.00 N ATOM 709 CA PHE A 51 -4.807 -9.923 1.588 1.00 0.00 C ATOM 710 C PHE A 51 -5.445 -8.576 1.917 1.00 0.00 C ATOM 711 O PHE A 51 -6.661 -8.414 1.817 1.00 0.00 O ATOM 712 CB PHE A 51 -4.850 -10.833 2.817 1.00 0.00 C ATOM 713 CG PHE A 51 -4.615 -12.282 2.498 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.487 -12.677 1.797 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.523 -13.250 2.898 1.00 0.00 C ATOM 716 CE1 PHE A 51 -3.268 -14.009 1.502 1.00 0.00 C ATOM 717 CE2 PHE A 51 -5.309 -14.583 2.606 1.00 0.00 C ATOM 718 CZ PHE A 51 -4.180 -14.963 1.906 1.00 0.00 C ATOM 0 H PHE A 51 -2.774 -9.490 1.872 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.373 -10.387 0.780 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.098 -10.500 3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.820 -10.729 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.770 -11.935 1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.408 -12.959 3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.384 -14.303 0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.024 -15.328 2.925 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.011 -16.005 1.675 1.00 0.00 H new ATOM 728 N GLN A 52 -4.616 -7.614 2.309 1.00 0.00 N ATOM 729 CA GLN A 52 -5.099 -6.283 2.653 1.00 0.00 C ATOM 730 C GLN A 52 -5.103 -5.372 1.429 1.00 0.00 C ATOM 731 O GLN A 52 -4.216 -5.451 0.580 1.00 0.00 O ATOM 732 CB GLN A 52 -4.233 -5.672 3.755 1.00 0.00 C ATOM 733 CG GLN A 52 -2.793 -5.429 3.333 1.00 0.00 C ATOM 734 CD GLN A 52 -2.166 -4.250 4.050 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.715 -3.147 4.055 1.00 0.00 O ATOM 736 NE2 GLN A 52 -1.008 -4.475 4.661 1.00 0.00 N ATOM 0 H GLN A 52 -3.607 -7.732 2.396 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.122 -6.378 3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.675 -4.727 4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.242 -6.333 4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.204 -6.325 3.531 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.758 -5.256 2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.588 -5.404 4.632 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.539 -3.719 5.159 1.00 0.00 H new ATOM 745 N LYS A 53 -6.108 -4.507 1.345 1.00 0.00 N ATOM 746 CA LYS A 53 -6.229 -3.580 0.227 1.00 0.00 C ATOM 747 C LYS A 53 -6.567 -2.176 0.718 1.00 0.00 C ATOM 748 O LYS A 53 -7.624 -1.952 1.310 1.00 0.00 O ATOM 749 CB LYS A 53 -7.303 -4.063 -0.750 1.00 0.00 C ATOM 750 CG LYS A 53 -7.526 -3.124 -1.923 1.00 0.00 C ATOM 751 CD LYS A 53 -8.908 -3.305 -2.528 1.00 0.00 C ATOM 752 CE LYS A 53 -8.942 -4.478 -3.496 1.00 0.00 C ATOM 753 NZ LYS A 53 -8.153 -4.204 -4.729 1.00 0.00 N ATOM 0 H LYS A 53 -6.851 -4.429 2.039 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.269 -3.544 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.021 -5.045 -1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.242 -4.187 -0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.405 -2.092 -1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.768 -3.306 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.636 -3.466 -1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.201 -2.393 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.548 -5.367 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.975 -4.695 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.461 -4.845 -5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.304 -3.219 -5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.143 -4.356 -4.536 1.00 0.00 H new ATOM 767 N LEU A 54 -5.666 -1.233 0.467 1.00 0.00 N ATOM 768 CA LEU A 54 -5.869 0.151 0.882 1.00 0.00 C ATOM 769 C LEU A 54 -6.831 0.866 -0.061 1.00 0.00 C ATOM 770 O LEU A 54 -6.770 0.687 -1.278 1.00 0.00 O ATOM 771 CB LEU A 54 -4.533 0.893 0.926 1.00 0.00 C ATOM 772 CG LEU A 54 -3.802 0.882 2.269 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.699 1.429 3.369 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.336 -0.526 2.611 1.00 0.00 C ATOM 0 H LEU A 54 -4.787 -1.401 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.306 0.145 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.875 0.459 0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.707 1.930 0.638 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.925 1.525 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.162 1.414 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.984 2.454 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.594 0.812 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.818 -0.515 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.198 -1.190 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.658 -0.883 1.836 1.00 0.00 H new ATOM 786 N ILE A 55 -7.715 1.678 0.508 1.00 0.00 N ATOM 787 CA ILE A 55 -8.687 2.424 -0.283 1.00 0.00 C ATOM 788 C ILE A 55 -8.978 3.784 0.342 1.00 0.00 C ATOM 789 O ILE A 55 -9.377 3.872 1.504 1.00 0.00 O ATOM 790 CB ILE A 55 -10.008 1.646 -0.431 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.729 0.196 -0.834 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.909 2.322 -1.453 1.00 0.00 C ATOM 793 CD1 ILE A 55 -10.921 -0.719 -0.659 1.00 0.00 C ATOM 0 H ILE A 55 -7.779 1.836 1.514 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.247 2.568 -1.270 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.521 1.643 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.412 0.172 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.898 -0.185 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.839 1.760 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.130 3.338 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.405 2.352 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.651 -1.730 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.225 -0.724 0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.747 -0.363 -1.275 1.00 0.00 H new ATOM 805 N PHE A 56 -8.776 4.842 -0.436 1.00 0.00 N ATOM 806 CA PHE A 56 -9.018 6.199 0.041 1.00 0.00 C ATOM 807 C PHE A 56 -9.692 7.042 -1.037 1.00 0.00 C ATOM 808 O PHE A 56 -9.239 7.087 -2.181 1.00 0.00 O ATOM 809 CB PHE A 56 -7.703 6.853 0.469 1.00 0.00 C ATOM 810 CG PHE A 56 -7.890 8.064 1.337 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.137 7.929 2.694 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.819 9.338 0.797 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.311 9.042 3.495 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.992 10.455 1.593 1.00 0.00 C ATOM 815 CZ PHE A 56 -8.237 10.306 2.944 1.00 0.00 C ATOM 0 H PHE A 56 -8.445 4.786 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.684 6.142 0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.100 6.121 1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.141 7.137 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.194 6.943 3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.626 9.460 -0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.505 8.923 4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.936 11.442 1.159 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.371 11.177 3.569 1.00 0.00 H new ATOM 825 N LYS A 57 -10.778 7.710 -0.664 1.00 0.00 N ATOM 826 CA LYS A 57 -11.516 8.554 -1.596 1.00 0.00 C ATOM 827 C LYS A 57 -12.027 7.739 -2.780 1.00 0.00 C ATOM 828 O LYS A 57 -12.177 8.258 -3.885 1.00 0.00 O ATOM 829 CB LYS A 57 -10.628 9.696 -2.096 1.00 0.00 C ATOM 830 CG LYS A 57 -10.422 10.799 -1.072 1.00 0.00 C ATOM 831 CD LYS A 57 -11.677 11.639 -0.898 1.00 0.00 C ATOM 832 CE LYS A 57 -11.379 12.940 -0.169 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.615 13.734 0.075 1.00 0.00 N ATOM 0 H LYS A 57 -11.167 7.683 0.279 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.373 8.972 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.657 9.292 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.073 10.124 -2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.141 10.360 -0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.596 11.438 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.108 11.858 -1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.422 11.071 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.894 12.721 0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.677 13.532 -0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.370 14.613 0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.064 13.965 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.275 13.179 0.656 1.00 0.00 H new ATOM 847 N GLY A 58 -12.295 6.459 -2.539 1.00 0.00 N ATOM 848 CA GLY A 58 -12.788 5.593 -3.595 1.00 0.00 C ATOM 849 C GLY A 58 -11.694 5.165 -4.552 1.00 0.00 C ATOM 850 O GLY A 58 -11.968 4.791 -5.693 1.00 0.00 O ATOM 0 H GLY A 58 -12.180 6.006 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.245 4.708 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.570 6.111 -4.150 1.00 0.00 H new ATOM 854 N LYS A 59 -10.450 5.222 -4.090 1.00 0.00 N ATOM 855 CA LYS A 59 -9.309 4.838 -4.913 1.00 0.00 C ATOM 856 C LYS A 59 -8.427 3.830 -4.183 1.00 0.00 C ATOM 857 O LYS A 59 -7.910 4.111 -3.101 1.00 0.00 O ATOM 858 CB LYS A 59 -8.487 6.073 -5.289 1.00 0.00 C ATOM 859 CG LYS A 59 -9.196 7.003 -6.257 1.00 0.00 C ATOM 860 CD LYS A 59 -8.207 7.784 -7.107 1.00 0.00 C ATOM 861 CE LYS A 59 -7.857 7.035 -8.384 1.00 0.00 C ATOM 862 NZ LYS A 59 -6.546 7.472 -8.941 1.00 0.00 N ATOM 0 H LYS A 59 -10.206 5.531 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.689 4.371 -5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.241 6.625 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.545 5.751 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.854 6.423 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.826 7.697 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.630 8.756 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.299 7.970 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.827 5.965 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.639 7.197 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.343 6.939 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.583 8.488 -9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.796 7.294 -8.243 1.00 0.00 H new ATOM 876 N SER A 60 -8.257 2.656 -4.782 1.00 0.00 N ATOM 877 CA SER A 60 -7.439 1.605 -4.188 1.00 0.00 C ATOM 878 C SER A 60 -5.958 1.966 -4.256 1.00 0.00 C ATOM 879 O SER A 60 -5.400 2.145 -5.339 1.00 0.00 O ATOM 880 CB SER A 60 -7.685 0.274 -4.900 1.00 0.00 C ATOM 881 OG SER A 60 -9.010 0.197 -5.396 1.00 0.00 O ATOM 0 H SER A 60 -8.675 2.408 -5.679 1.00 0.00 H new ATOM 0 HA SER A 60 -7.723 1.506 -3.140 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.979 0.162 -5.723 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.503 -0.550 -4.210 1.00 0.00 H new ATOM 0 HG SER A 60 -9.141 -0.663 -5.848 1.00 0.00 H new ATOM 887 N LEU A 61 -5.328 2.072 -3.091 1.00 0.00 N ATOM 888 CA LEU A 61 -3.911 2.411 -3.017 1.00 0.00 C ATOM 889 C LEU A 61 -3.043 1.177 -3.240 1.00 0.00 C ATOM 890 O LEU A 61 -2.949 0.305 -2.376 1.00 0.00 O ATOM 891 CB LEU A 61 -3.587 3.037 -1.659 1.00 0.00 C ATOM 892 CG LEU A 61 -4.666 3.943 -1.064 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.264 4.408 0.327 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.923 5.135 -1.973 1.00 0.00 C ATOM 0 H LEU A 61 -5.775 1.928 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.694 3.132 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.383 2.234 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.669 3.616 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.589 3.370 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.043 5.052 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.132 3.542 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.328 4.964 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.694 5.768 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.004 5.709 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.256 4.783 -2.949 1.00 0.00 H new ATOM 906 N LYS A 62 -2.407 1.110 -4.405 1.00 0.00 N ATOM 907 CA LYS A 62 -1.543 -0.015 -4.742 1.00 0.00 C ATOM 908 C LYS A 62 -0.107 0.450 -4.966 1.00 0.00 C ATOM 909 O LYS A 62 0.779 -0.357 -5.244 1.00 0.00 O ATOM 910 CB LYS A 62 -2.061 -0.725 -5.995 1.00 0.00 C ATOM 911 CG LYS A 62 -2.331 0.213 -7.158 1.00 0.00 C ATOM 912 CD LYS A 62 -3.232 -0.433 -8.197 1.00 0.00 C ATOM 913 CE LYS A 62 -4.059 0.606 -8.941 1.00 0.00 C ATOM 914 NZ LYS A 62 -4.405 0.157 -10.317 1.00 0.00 N ATOM 0 H LYS A 62 -2.474 1.822 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.554 -0.713 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.333 -1.474 -6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.980 -1.257 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.796 1.127 -6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.387 0.501 -7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.625 -0.994 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.896 -1.148 -7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.974 0.809 -8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.504 1.543 -8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.968 0.892 -10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.532 -0.012 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.957 -0.723 -10.267 1.00 0.00 H new ATOM 928 N GLU A 63 0.114 1.754 -4.841 1.00 0.00 N ATOM 929 CA GLU A 63 1.443 2.325 -5.029 1.00 0.00 C ATOM 930 C GLU A 63 2.135 2.546 -3.687 1.00 0.00 C ATOM 931 O GLU A 63 1.719 3.390 -2.894 1.00 0.00 O ATOM 932 CB GLU A 63 1.351 3.648 -5.792 1.00 0.00 C ATOM 933 CG GLU A 63 0.954 3.483 -7.249 1.00 0.00 C ATOM 934 CD GLU A 63 -0.546 3.369 -7.436 1.00 0.00 C ATOM 935 OE1 GLU A 63 -1.290 3.984 -6.644 1.00 0.00 O ATOM 936 OE2 GLU A 63 -0.976 2.665 -8.373 1.00 0.00 O ATOM 0 H GLU A 63 -0.609 2.435 -4.610 1.00 0.00 H new ATOM 0 HA GLU A 63 2.035 1.619 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.625 4.294 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.315 4.155 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.324 4.334 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.435 2.593 -7.654 1.00 0.00 H new ATOM 943 N MET A 64 3.194 1.781 -3.440 1.00 0.00 N ATOM 944 CA MET A 64 3.944 1.894 -2.195 1.00 0.00 C ATOM 945 C MET A 64 4.926 3.060 -2.256 1.00 0.00 C ATOM 946 O MET A 64 5.106 3.783 -1.276 1.00 0.00 O ATOM 947 CB MET A 64 4.696 0.593 -1.908 1.00 0.00 C ATOM 948 CG MET A 64 3.845 -0.653 -2.088 1.00 0.00 C ATOM 949 SD MET A 64 2.683 -0.902 -0.732 1.00 0.00 S ATOM 950 CE MET A 64 1.121 -0.667 -1.577 1.00 0.00 C ATOM 0 H MET A 64 3.551 1.077 -4.085 1.00 0.00 H new ATOM 0 HA MET A 64 3.235 2.081 -1.388 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.562 0.530 -2.567 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.075 0.620 -0.886 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.293 -0.579 -3.025 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.495 -1.524 -2.169 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.302 -0.790 -0.868 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.085 0.336 -2.003 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.024 -1.404 -2.374 1.00 0.00 H new ATOM 960 N GLU A 65 5.559 3.236 -3.412 1.00 0.00 N ATOM 961 CA GLU A 65 6.523 4.313 -3.598 1.00 0.00 C ATOM 962 C GLU A 65 5.818 5.662 -3.703 1.00 0.00 C ATOM 963 O GLU A 65 6.459 6.701 -3.863 1.00 0.00 O ATOM 964 CB GLU A 65 7.363 4.065 -4.852 1.00 0.00 C ATOM 965 CG GLU A 65 8.023 2.697 -4.882 1.00 0.00 C ATOM 966 CD GLU A 65 9.393 2.696 -4.234 1.00 0.00 C ATOM 967 OE1 GLU A 65 9.487 3.072 -3.046 1.00 0.00 O ATOM 968 OE2 GLU A 65 10.371 2.319 -4.912 1.00 0.00 O ATOM 0 H GLU A 65 5.421 2.647 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 65 7.180 4.332 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.728 4.172 -5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.134 4.833 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.383 1.978 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.114 2.364 -5.916 1.00 0.00 H new ATOM 975 N THR A 66 4.491 5.639 -3.613 1.00 0.00 N ATOM 976 CA THR A 66 3.698 6.858 -3.700 1.00 0.00 C ATOM 977 C THR A 66 3.539 7.509 -2.330 1.00 0.00 C ATOM 978 O THR A 66 3.177 6.863 -1.347 1.00 0.00 O ATOM 979 CB THR A 66 2.302 6.579 -4.288 1.00 0.00 C ATOM 980 OG1 THR A 66 2.395 6.391 -5.704 1.00 0.00 O ATOM 981 CG2 THR A 66 1.348 7.724 -3.985 1.00 0.00 C ATOM 0 H THR A 66 3.944 4.789 -3.480 1.00 0.00 H new ATOM 0 HA THR A 66 4.234 7.538 -4.363 1.00 0.00 H new ATOM 0 HB THR A 66 1.913 5.671 -3.826 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.495 6.372 -6.091 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.369 7.504 -4.410 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.256 7.845 -2.906 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.735 8.645 -4.422 1.00 0.00 H new ATOM 989 N PRO A 67 3.815 8.820 -2.262 1.00 0.00 N ATOM 990 CA PRO A 67 3.708 9.588 -1.018 1.00 0.00 C ATOM 991 C PRO A 67 2.261 9.769 -0.571 1.00 0.00 C ATOM 992 O PRO A 67 1.399 10.150 -1.364 1.00 0.00 O ATOM 993 CB PRO A 67 4.329 10.939 -1.381 1.00 0.00 C ATOM 994 CG PRO A 67 4.152 11.054 -2.855 1.00 0.00 C ATOM 995 CD PRO A 67 4.251 9.654 -3.395 1.00 0.00 C ATOM 0 HA PRO A 67 4.202 9.087 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.832 11.756 -0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.383 10.977 -1.105 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.187 11.499 -3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.918 11.695 -3.291 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.612 9.513 -4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.268 9.413 -3.703 1.00 0.00 H new ATOM 1003 N LEU A 68 2.002 9.495 0.703 1.00 0.00 N ATOM 1004 CA LEU A 68 0.659 9.629 1.256 1.00 0.00 C ATOM 1005 C LEU A 68 0.084 11.010 0.962 1.00 0.00 C ATOM 1006 O LEU A 68 -1.133 11.196 0.942 1.00 0.00 O ATOM 1007 CB LEU A 68 0.681 9.383 2.765 1.00 0.00 C ATOM 1008 CG LEU A 68 1.184 8.011 3.215 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.796 8.097 4.605 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.053 6.994 3.190 1.00 0.00 C ATOM 0 H LEU A 68 2.704 9.179 1.372 1.00 0.00 H new ATOM 0 HA LEU A 68 0.021 8.883 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.306 10.147 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.329 9.521 3.150 1.00 0.00 H new ATOM 0 HG LEU A 68 1.956 7.682 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.149 7.111 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.634 8.794 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.044 8.448 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.429 6.023 3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.742 7.317 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.340 6.912 2.177 1.00 0.00 H new ATOM 1022 N SER A 69 0.967 11.977 0.732 1.00 0.00 N ATOM 1023 CA SER A 69 0.547 13.342 0.440 1.00 0.00 C ATOM 1024 C SER A 69 -0.181 13.413 -0.898 1.00 0.00 C ATOM 1025 O SER A 69 -1.203 14.087 -1.027 1.00 0.00 O ATOM 1026 CB SER A 69 1.758 14.278 0.425 1.00 0.00 C ATOM 1027 OG SER A 69 1.356 15.629 0.279 1.00 0.00 O ATOM 0 H SER A 69 1.978 11.840 0.742 1.00 0.00 H new ATOM 0 HA SER A 69 -0.140 13.660 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.323 14.161 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.424 14.003 -0.393 1.00 0.00 H new ATOM 0 HG SER A 69 2.147 16.207 0.274 1.00 0.00 H new ATOM 1033 N ALA A 70 0.352 12.711 -1.893 1.00 0.00 N ATOM 1034 CA ALA A 70 -0.247 12.692 -3.221 1.00 0.00 C ATOM 1035 C ALA A 70 -1.688 12.196 -3.166 1.00 0.00 C ATOM 1036 O ALA A 70 -2.584 12.795 -3.762 1.00 0.00 O ATOM 1037 CB ALA A 70 0.577 11.822 -4.159 1.00 0.00 C ATOM 0 H ALA A 70 1.198 12.148 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.256 13.713 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.118 11.817 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.589 12.221 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.615 10.804 -3.771 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.905 11.100 -2.448 1.00 0.00 N ATOM 1044 CA LEU A 71 -3.238 10.523 -2.316 1.00 0.00 C ATOM 1045 C LEU A 71 -4.153 11.444 -1.516 1.00 0.00 C ATOM 1046 O LEU A 71 -5.376 11.328 -1.578 1.00 0.00 O ATOM 1047 CB LEU A 71 -3.158 9.153 -1.640 1.00 0.00 C ATOM 1048 CG LEU A 71 -2.127 8.180 -2.214 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.703 7.168 -1.161 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.686 7.474 -3.441 1.00 0.00 C ATOM 0 H LEU A 71 -1.175 10.593 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.656 10.404 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.937 9.304 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.141 8.685 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.247 8.749 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.969 6.484 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.262 7.690 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.574 6.604 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.939 6.786 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.582 6.918 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.938 8.212 -4.202 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.551 12.363 -0.766 1.00 0.00 N ATOM 1063 CA GLY A 72 -4.327 13.293 0.034 1.00 0.00 C ATOM 1064 C GLY A 72 -4.407 12.879 1.490 1.00 0.00 C ATOM 1065 O GLY A 72 -5.039 13.557 2.300 1.00 0.00 O ATOM 0 H GLY A 72 -2.540 12.480 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.882 14.286 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.334 13.367 -0.375 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.767 11.763 1.822 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.769 11.260 3.190 1.00 0.00 C ATOM 1071 C ILE A 73 -2.846 12.085 4.080 1.00 0.00 C ATOM 1072 O ILE A 73 -1.755 12.475 3.667 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.335 9.783 3.247 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.402 8.890 2.613 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.072 9.364 4.686 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.881 7.536 2.185 1.00 0.00 C ATOM 0 H ILE A 73 -3.241 11.190 1.162 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.792 11.344 3.556 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.411 9.669 2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.216 8.749 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.822 9.399 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.766 8.318 4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.280 9.984 5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.981 9.490 5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.692 6.957 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.087 7.667 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.487 7.007 3.053 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.292 12.344 5.305 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.505 13.122 6.255 1.00 0.00 C ATOM 1090 C GLN A 74 -2.902 12.791 7.690 1.00 0.00 C ATOM 1091 O GLN A 74 -4.037 12.395 7.955 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.687 14.618 5.995 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.461 15.449 6.341 1.00 0.00 C ATOM 1094 CD GLN A 74 -1.809 16.878 6.708 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -2.304 17.641 5.877 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -1.553 17.248 7.957 1.00 0.00 N ATOM 0 H GLN A 74 -4.193 12.027 5.663 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.455 12.862 6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.933 14.768 4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.536 14.979 6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.934 14.982 7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.778 15.452 5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.142 16.583 8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.767 18.198 8.262 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.959 12.956 8.612 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.210 12.675 10.021 1.00 0.00 C ATOM 1107 C ASP A 75 -3.584 13.188 10.440 1.00 0.00 C ATOM 1108 O ASP A 75 -3.832 14.393 10.449 1.00 0.00 O ATOM 1109 CB ASP A 75 -1.126 13.313 10.891 1.00 0.00 C ATOM 1110 CG ASP A 75 -0.618 14.621 10.316 1.00 0.00 C ATOM 1111 OD1 ASP A 75 0.190 14.577 9.365 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.029 15.688 10.818 1.00 0.00 O ATOM 0 H ASP A 75 -1.014 13.283 8.409 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.187 11.594 10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.523 13.489 11.891 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.293 12.618 10.997 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.475 12.264 10.787 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.813 12.642 11.202 1.00 0.00 C ATOM 1119 C GLY A 76 -6.863 12.283 10.169 1.00 0.00 C ATOM 1120 O GLY A 76 -7.930 12.897 10.120 1.00 0.00 O ATOM 0 H GLY A 76 -4.294 11.260 10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.051 12.148 12.144 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.843 13.716 11.388 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.561 11.289 9.342 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.487 10.851 8.303 1.00 0.00 C ATOM 1126 C CYS A 77 -7.917 9.406 8.531 1.00 0.00 C ATOM 1127 O CYS A 77 -7.294 8.677 9.304 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.841 10.992 6.923 1.00 0.00 C ATOM 1129 SG CYS A 77 -6.928 12.662 6.235 1.00 0.00 S ATOM 0 H CYS A 77 -5.683 10.771 9.370 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.372 11.485 8.349 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.795 10.692 6.991 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.326 10.301 6.234 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.354 12.681 5.069 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.986 8.998 7.856 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.501 7.641 7.988 1.00 0.00 C ATOM 1137 C ARG A 78 -9.504 6.927 6.639 1.00 0.00 C ATOM 1138 O ARG A 78 -10.193 7.341 5.706 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.917 7.664 8.567 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.955 7.624 10.086 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.364 7.843 10.614 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.781 9.238 10.501 1.00 0.00 N ATOM 1143 CZ ARG A 78 -13.866 9.730 11.089 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -14.638 8.946 11.828 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -14.179 11.011 10.938 1.00 0.00 N ATOM 0 H ARG A 78 -9.513 9.588 7.212 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.846 7.096 8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.426 8.564 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.474 6.813 8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.580 6.662 10.435 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.292 8.390 10.488 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.060 7.211 10.062 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.412 7.534 11.658 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.208 9.869 9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.400 7.961 11.947 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.470 9.327 12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.587 11.617 10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.012 11.389 11.389 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.727 5.852 6.543 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.640 5.080 5.309 1.00 0.00 C ATOM 1161 C VAL A 79 -9.320 3.724 5.460 1.00 0.00 C ATOM 1162 O VAL A 79 -9.435 3.196 6.566 1.00 0.00 O ATOM 1163 CB VAL A 79 -7.175 4.863 4.886 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -7.105 4.284 3.481 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.397 6.167 4.973 1.00 0.00 C ATOM 0 H VAL A 79 -8.149 5.496 7.305 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.152 5.656 4.538 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.719 4.148 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.062 4.138 3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.626 3.327 3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.577 4.972 2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.364 5.995 4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.850 6.906 4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.418 6.536 5.999 1.00 0.00 H new ATOM 1175 N MET A 80 -9.769 3.166 4.341 1.00 0.00 N ATOM 1176 CA MET A 80 -10.437 1.869 4.349 1.00 0.00 C ATOM 1177 C MET A 80 -9.467 0.756 3.964 1.00 0.00 C ATOM 1178 O MET A 80 -8.560 0.961 3.157 1.00 0.00 O ATOM 1179 CB MET A 80 -11.627 1.879 3.388 1.00 0.00 C ATOM 1180 CG MET A 80 -12.266 0.513 3.198 1.00 0.00 C ATOM 1181 SD MET A 80 -13.514 0.150 4.447 1.00 0.00 S ATOM 1182 CE MET A 80 -14.281 -1.309 3.746 1.00 0.00 C ATOM 0 H MET A 80 -9.683 3.591 3.418 1.00 0.00 H new ATOM 0 HA MET A 80 -10.797 1.679 5.360 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.379 2.574 3.761 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.298 2.255 2.419 1.00 0.00 H new ATOM 0 HG2 MET A 80 -12.722 0.464 2.209 1.00 0.00 H new ATOM 0 HG3 MET A 80 -11.492 -0.254 3.230 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.332 -1.342 4.034 1.00 0.00 H new ATOM 0 HE2 MET A 80 -14.204 -1.274 2.659 1.00 0.00 H new ATOM 0 HE3 MET A 80 -13.775 -2.200 4.118 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.665 -0.422 4.547 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.808 -1.568 4.265 1.00 0.00 C ATOM 1194 C LEU A 81 -9.629 -2.848 4.157 1.00 0.00 C ATOM 1195 O LEU A 81 -10.373 -3.199 5.073 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.748 -1.718 5.358 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.707 -2.816 5.137 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.772 -2.443 3.997 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.919 -3.068 6.414 1.00 0.00 C ATOM 0 H LEU A 81 -10.411 -0.608 5.217 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.313 -1.395 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.227 -0.767 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.255 -1.910 6.304 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.228 -3.735 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.038 -3.236 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.349 -2.313 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.258 -1.512 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.183 -3.852 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.409 -2.152 6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.600 -3.380 7.206 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.487 -3.543 3.033 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.213 -4.787 2.808 1.00 0.00 C ATOM 1213 C ILE A 82 -9.278 -5.990 2.874 1.00 0.00 C ATOM 1214 O ILE A 82 -8.292 -6.064 2.141 1.00 0.00 O ATOM 1215 CB ILE A 82 -10.928 -4.782 1.444 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -11.900 -3.603 1.357 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.661 -6.097 1.225 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.731 -3.597 0.094 1.00 0.00 C ATOM 0 H ILE A 82 -8.876 -3.266 2.265 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.958 -4.865 3.600 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.180 -4.671 0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.565 -3.627 2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.336 -2.672 1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.161 -6.078 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.947 -6.920 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.401 -6.237 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.397 -2.734 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.074 -3.542 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.323 -4.511 0.043 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.595 -6.931 3.758 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.774 -8.119 3.903 1.00 0.00 C ATOM 1232 C GLY A 83 -9.252 -9.021 5.023 1.00 0.00 C ATOM 1233 O GLY A 83 -10.042 -8.605 5.871 1.00 0.00 O ATOM 0 H GLY A 83 -10.405 -6.892 4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.777 -8.676 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.743 -7.823 4.094 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.774 -10.261 5.028 1.00 0.00 N ATOM 1238 CA LYS A 84 -9.157 -11.225 6.052 1.00 0.00 C ATOM 1239 C LYS A 84 -7.949 -11.644 6.884 1.00 0.00 C ATOM 1240 O LYS A 84 -6.830 -11.720 6.378 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.798 -12.457 5.407 1.00 0.00 C ATOM 1242 CG LYS A 84 -11.091 -12.155 4.671 1.00 0.00 C ATOM 1243 CD LYS A 84 -12.296 -12.273 5.590 1.00 0.00 C ATOM 1244 CE LYS A 84 -13.537 -12.710 4.827 1.00 0.00 C ATOM 1245 NZ LYS A 84 -14.785 -12.198 5.458 1.00 0.00 N ATOM 0 H LYS A 84 -8.120 -10.622 4.333 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.882 -10.748 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.088 -12.902 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.995 -13.200 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.047 -11.149 4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.203 -12.843 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.082 -12.991 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.483 -11.313 6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.476 -12.352 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.572 -13.799 4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.608 -12.517 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.856 -12.560 6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.763 -11.158 5.476 1.00 0.00 H new ATOM 1259 N LYS A 85 -8.184 -11.916 8.163 1.00 0.00 N ATOM 1260 CA LYS A 85 -7.116 -12.330 9.066 1.00 0.00 C ATOM 1261 C LYS A 85 -7.065 -13.850 9.188 1.00 0.00 C ATOM 1262 O LYS A 85 -8.099 -14.516 9.191 1.00 0.00 O ATOM 1263 CB LYS A 85 -7.317 -11.704 10.448 1.00 0.00 C ATOM 1264 CG LYS A 85 -6.936 -10.234 10.510 1.00 0.00 C ATOM 1265 CD LYS A 85 -7.091 -9.677 11.915 1.00 0.00 C ATOM 1266 CE LYS A 85 -8.545 -9.363 12.233 1.00 0.00 C ATOM 1267 NZ LYS A 85 -8.781 -9.253 13.699 1.00 0.00 N ATOM 0 H LYS A 85 -9.105 -11.857 8.598 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.169 -11.984 8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.362 -11.813 10.739 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.724 -12.256 11.178 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.904 -10.110 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.561 -9.666 9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.707 -10.397 12.637 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.492 -8.772 12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.829 -8.429 11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.184 -10.144 11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.783 -9.038 13.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.534 -10.153 14.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.191 -8.491 14.089 1.00 0.00 H new ATOM 1281 N ASN A 86 -5.856 -14.391 9.289 1.00 0.00 N ATOM 1282 CA ASN A 86 -5.671 -15.832 9.413 1.00 0.00 C ATOM 1283 C ASN A 86 -5.515 -16.238 10.875 1.00 0.00 C ATOM 1284 O ASN A 86 -6.203 -17.136 11.358 1.00 0.00 O ATOM 1285 CB ASN A 86 -4.445 -16.280 8.614 1.00 0.00 C ATOM 1286 CG ASN A 86 -4.487 -15.803 7.175 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -5.355 -16.205 6.401 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -3.545 -14.941 6.811 1.00 0.00 N ATOM 0 H ASN A 86 -4.989 -13.853 9.287 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.558 -16.322 9.012 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.543 -15.900 9.094 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.381 -17.368 8.632 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.521 -14.585 5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.845 -14.635 7.487 1.00 0.00 H new ATOM 1295 N SER A 87 -4.605 -15.567 11.576 1.00 0.00 N ATOM 1296 CA SER A 87 -4.356 -15.859 12.982 1.00 0.00 C ATOM 1297 C SER A 87 -5.658 -16.187 13.708 1.00 0.00 C ATOM 1298 O SER A 87 -5.729 -17.145 14.476 1.00 0.00 O ATOM 1299 CB SER A 87 -3.668 -14.671 13.658 1.00 0.00 C ATOM 1300 OG SER A 87 -3.406 -14.943 15.024 1.00 0.00 O ATOM 0 H SER A 87 -4.029 -14.818 11.192 1.00 0.00 H new ATOM 0 HA SER A 87 -3.701 -16.728 13.036 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.734 -14.446 13.143 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.299 -13.786 13.575 1.00 0.00 H new ATOM 0 HG SER A 87 -2.965 -14.169 15.433 1.00 0.00 H new ATOM 1306 N GLY A 88 -6.686 -15.382 13.458 1.00 0.00 N ATOM 1307 CA GLY A 88 -7.972 -15.601 14.095 1.00 0.00 C ATOM 1308 C GLY A 88 -8.696 -16.810 13.537 1.00 0.00 C ATOM 1309 O GLY A 88 -8.335 -17.348 12.490 1.00 0.00 O ATOM 0 H GLY A 88 -6.652 -14.582 12.826 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.825 -15.732 15.167 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.595 -14.716 13.964 1.00 0.00 H new ATOM 1313 N PRO A 89 -9.743 -17.257 14.246 1.00 0.00 N ATOM 1314 CA PRO A 89 -10.541 -18.416 13.834 1.00 0.00 C ATOM 1315 C PRO A 89 -11.379 -18.132 12.592 1.00 0.00 C ATOM 1316 O PRO A 89 -12.340 -17.365 12.642 1.00 0.00 O ATOM 1317 CB PRO A 89 -11.447 -18.670 15.042 1.00 0.00 C ATOM 1318 CG PRO A 89 -11.551 -17.348 15.722 1.00 0.00 C ATOM 1319 CD PRO A 89 -10.230 -16.665 15.503 1.00 0.00 C ATOM 0 HA PRO A 89 -9.915 -19.267 13.566 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -12.427 -19.034 14.733 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.021 -19.424 15.705 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.369 -16.759 15.307 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -11.755 -17.471 16.786 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.346 -15.584 15.420 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -9.541 -16.849 16.327 1.00 0.00 H new ATOM 1327 N SER A 90 -11.007 -18.755 11.478 1.00 0.00 N ATOM 1328 CA SER A 90 -11.722 -18.566 10.222 1.00 0.00 C ATOM 1329 C SER A 90 -12.302 -19.886 9.723 1.00 0.00 C ATOM 1330 O SER A 90 -11.590 -20.884 9.604 1.00 0.00 O ATOM 1331 CB SER A 90 -10.790 -17.973 9.164 1.00 0.00 C ATOM 1332 OG SER A 90 -9.671 -18.814 8.941 1.00 0.00 O ATOM 0 H SER A 90 -10.215 -19.395 11.420 1.00 0.00 H new ATOM 0 HA SER A 90 -12.544 -17.873 10.401 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.336 -17.834 8.231 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.451 -16.988 9.485 1.00 0.00 H new ATOM 0 HG SER A 90 -9.922 -19.745 9.116 1.00 0.00 H new ATOM 1338 N SER A 91 -13.599 -19.884 9.431 1.00 0.00 N ATOM 1339 CA SER A 91 -14.276 -21.082 8.949 1.00 0.00 C ATOM 1340 C SER A 91 -14.344 -21.090 7.425 1.00 0.00 C ATOM 1341 O SER A 91 -14.673 -20.082 6.801 1.00 0.00 O ATOM 1342 CB SER A 91 -15.687 -21.166 9.534 1.00 0.00 C ATOM 1343 OG SER A 91 -15.646 -21.425 10.927 1.00 0.00 O ATOM 0 H SER A 91 -14.202 -19.066 9.520 1.00 0.00 H new ATOM 0 HA SER A 91 -13.703 -21.950 9.275 1.00 0.00 H new ATOM 0 HB2 SER A 91 -16.217 -20.231 9.350 1.00 0.00 H new ATOM 0 HB3 SER A 91 -16.247 -21.954 9.030 1.00 0.00 H new ATOM 0 HG SER A 91 -16.560 -21.472 11.278 1.00 0.00 H new ATOM 1349 N GLY A 92 -14.031 -22.238 6.831 1.00 0.00 N ATOM 1350 CA GLY A 92 -14.063 -22.357 5.385 1.00 0.00 C ATOM 1351 C GLY A 92 -12.912 -23.183 4.846 1.00 0.00 C ATOM 1352 O GLY A 92 -12.167 -23.796 5.611 1.00 0.00 O ATOM 0 H GLY A 92 -13.756 -23.087 7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -15.006 -22.812 5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.032 -21.362 4.941 1.00 0.00 H new TER 1356 GLY A 92