USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 531 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 39 TYR OH : rot -18:sc= -0.881! USER MOD Set 1.2: A 49 ASN : amide:sc= -6.37! C(o=-7.3!,f=-7.8!) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0428 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 8 MET CE :methyl 177:sc= -3.26 (180deg=-3.31) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -66:sc= 0.0409 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 150:sc= -1.58 (180deg=-3.33!) USER MOD Single : A 35 CYS SG : rot 133:sc= -0.495 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.0082) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.721 K(o=0.72,f=-0.53) USER MOD Single : A 48 ASN : amide:sc= 0.366 X(o=0.37,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.19) USER MOD Single : A 65 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.4!) USER MOD Single : A 70 MET CE :methyl -121:sc= -0.0363 (180deg=-0.404) USER MOD Single : A 71 ASN : amide:sc= -0.0285 X(o=-0.028,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.928 21.390 -0.626 1.00 0.00 N ATOM 2 CA GLY A 1 -3.378 20.233 0.130 1.00 0.00 C ATOM 3 C GLY A 1 -4.898 20.081 0.047 1.00 0.00 C ATOM 4 O GLY A 1 -5.506 20.429 -0.965 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.075 21.141 -1.166 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.678 21.689 -1.282 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.709 22.168 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.897 19.333 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.076 20.335 1.172 1.00 0.00 H new ATOM 8 N SER A 2 -5.469 19.560 1.123 1.00 0.00 N ATOM 9 CA SER A 2 -6.906 19.357 1.184 1.00 0.00 C ATOM 10 C SER A 2 -7.560 20.485 1.985 1.00 0.00 C ATOM 11 O SER A 2 -7.502 20.493 3.214 1.00 0.00 O ATOM 12 CB SER A 2 -7.245 18.001 1.804 1.00 0.00 C ATOM 13 OG SER A 2 -8.649 17.828 1.976 1.00 0.00 O ATOM 0 H SER A 2 -4.962 19.272 1.960 1.00 0.00 H new ATOM 0 HA SER A 2 -7.296 19.368 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.857 17.205 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.748 17.909 2.770 1.00 0.00 H new ATOM 0 HG SER A 2 -8.824 16.949 2.373 1.00 0.00 H new ATOM 19 N SER A 3 -8.168 21.410 1.256 1.00 0.00 N ATOM 20 CA SER A 3 -8.832 22.540 1.883 1.00 0.00 C ATOM 21 C SER A 3 -10.302 22.204 2.144 1.00 0.00 C ATOM 22 O SER A 3 -11.158 22.449 1.297 1.00 0.00 O ATOM 23 CB SER A 3 -8.721 23.795 1.016 1.00 0.00 C ATOM 24 OG SER A 3 -8.472 24.962 1.794 1.00 0.00 O ATOM 0 H SER A 3 -8.214 21.400 0.237 1.00 0.00 H new ATOM 0 HA SER A 3 -8.337 22.743 2.833 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.918 23.665 0.291 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.643 23.927 0.450 1.00 0.00 H new ATOM 0 HG SER A 3 -8.406 25.741 1.203 1.00 0.00 H new ATOM 30 N GLY A 4 -10.548 21.648 3.322 1.00 0.00 N ATOM 31 CA GLY A 4 -11.899 21.276 3.705 1.00 0.00 C ATOM 32 C GLY A 4 -11.897 20.002 4.553 1.00 0.00 C ATOM 33 O GLY A 4 -10.931 19.726 5.263 1.00 0.00 O ATOM 0 H GLY A 4 -9.835 21.447 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.359 22.090 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.505 21.122 2.812 1.00 0.00 H new ATOM 37 N SER A 5 -12.991 19.261 4.452 1.00 0.00 N ATOM 38 CA SER A 5 -13.127 18.023 5.202 1.00 0.00 C ATOM 39 C SER A 5 -13.828 16.967 4.344 1.00 0.00 C ATOM 40 O SER A 5 -14.776 17.276 3.624 1.00 0.00 O ATOM 41 CB SER A 5 -13.901 18.249 6.502 1.00 0.00 C ATOM 42 OG SER A 5 -14.251 17.022 7.135 1.00 0.00 O ATOM 0 H SER A 5 -13.791 19.493 3.863 1.00 0.00 H new ATOM 0 HA SER A 5 -12.130 17.668 5.462 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.298 18.849 7.183 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.806 18.819 6.291 1.00 0.00 H new ATOM 0 HG SER A 5 -14.742 17.209 7.962 1.00 0.00 H new ATOM 48 N SER A 6 -13.333 15.742 4.450 1.00 0.00 N ATOM 49 CA SER A 6 -13.900 14.639 3.693 1.00 0.00 C ATOM 50 C SER A 6 -13.923 13.373 4.552 1.00 0.00 C ATOM 51 O SER A 6 -14.990 12.829 4.833 1.00 0.00 O ATOM 52 CB SER A 6 -13.112 14.392 2.406 1.00 0.00 C ATOM 53 OG SER A 6 -13.592 15.186 1.325 1.00 0.00 O ATOM 0 H SER A 6 -12.546 15.490 5.048 1.00 0.00 H new ATOM 0 HA SER A 6 -14.921 14.902 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.059 14.613 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.177 13.337 2.138 1.00 0.00 H new ATOM 0 HG SER A 6 -13.062 15.000 0.522 1.00 0.00 H new ATOM 59 N GLY A 7 -12.734 12.941 4.946 1.00 0.00 N ATOM 60 CA GLY A 7 -12.605 11.750 5.767 1.00 0.00 C ATOM 61 C GLY A 7 -11.661 10.736 5.118 1.00 0.00 C ATOM 62 O GLY A 7 -12.092 9.900 4.325 1.00 0.00 O ATOM 0 H GLY A 7 -11.851 13.395 4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.229 12.023 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.586 11.297 5.914 1.00 0.00 H new ATOM 66 N MET A 8 -10.390 10.843 5.479 1.00 0.00 N ATOM 67 CA MET A 8 -9.382 9.946 4.941 1.00 0.00 C ATOM 68 C MET A 8 -9.586 9.727 3.441 1.00 0.00 C ATOM 69 O MET A 8 -10.108 8.693 3.026 1.00 0.00 O ATOM 70 CB MET A 8 -9.454 8.602 5.668 1.00 0.00 C ATOM 71 CG MET A 8 -8.424 7.619 5.108 1.00 0.00 C ATOM 72 SD MET A 8 -8.442 6.108 6.057 1.00 0.00 S ATOM 73 CE MET A 8 -7.555 5.032 4.943 1.00 0.00 C ATOM 0 H MET A 8 -10.036 11.537 6.137 1.00 0.00 H new ATOM 0 HA MET A 8 -8.402 10.399 5.092 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.278 8.751 6.733 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.455 8.183 5.566 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.645 7.404 4.063 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.430 8.065 5.138 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.428 4.053 5.406 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.118 4.924 4.016 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.576 5.460 4.726 1.00 0.00 H new ATOM 83 N CYS A 9 -9.165 10.717 2.668 1.00 0.00 N ATOM 84 CA CYS A 9 -9.296 10.646 1.222 1.00 0.00 C ATOM 85 C CYS A 9 -8.596 11.864 0.616 1.00 0.00 C ATOM 86 O CYS A 9 -9.249 12.748 0.064 1.00 0.00 O ATOM 87 CB CYS A 9 -10.761 10.555 0.791 1.00 0.00 C ATOM 88 SG CYS A 9 -10.870 9.923 -0.923 1.00 0.00 S ATOM 0 H CYS A 9 -8.733 11.573 3.015 1.00 0.00 H new ATOM 0 HA CYS A 9 -8.821 9.736 0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -11.307 9.896 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -11.230 11.537 0.856 1.00 0.00 H new ATOM 0 HG CYS A 9 -12.118 9.847 -1.279 1.00 0.00 H new ATOM 94 N GLY A 10 -7.277 11.871 0.739 1.00 0.00 N ATOM 95 CA GLY A 10 -6.482 12.965 0.210 1.00 0.00 C ATOM 96 C GLY A 10 -5.099 13.005 0.864 1.00 0.00 C ATOM 97 O GLY A 10 -4.152 12.407 0.357 1.00 0.00 O ATOM 0 H GLY A 10 -6.739 11.136 1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.375 12.853 -0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.997 13.910 0.382 1.00 0.00 H new ATOM 101 N VAL A 11 -5.028 13.716 1.980 1.00 0.00 N ATOM 102 CA VAL A 11 -3.777 13.841 2.709 1.00 0.00 C ATOM 103 C VAL A 11 -3.527 12.561 3.508 1.00 0.00 C ATOM 104 O VAL A 11 -2.554 11.851 3.261 1.00 0.00 O ATOM 105 CB VAL A 11 -3.805 15.097 3.583 1.00 0.00 C ATOM 106 CG1 VAL A 11 -2.777 15.001 4.712 1.00 0.00 C ATOM 107 CG2 VAL A 11 -3.580 16.355 2.743 1.00 0.00 C ATOM 0 H VAL A 11 -5.816 14.211 2.397 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.942 13.960 2.018 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.794 15.169 4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.817 15.906 5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.001 14.136 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.779 14.893 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.605 17.233 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.610 16.294 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.365 16.436 1.991 1.00 0.00 H new ATOM 117 N GLU A 12 -4.423 12.305 4.450 1.00 0.00 N ATOM 118 CA GLU A 12 -4.312 11.123 5.288 1.00 0.00 C ATOM 119 C GLU A 12 -3.851 9.925 4.455 1.00 0.00 C ATOM 120 O GLU A 12 -2.852 9.286 4.781 1.00 0.00 O ATOM 121 CB GLU A 12 -5.636 10.824 5.993 1.00 0.00 C ATOM 122 CG GLU A 12 -5.888 11.816 7.130 1.00 0.00 C ATOM 123 CD GLU A 12 -6.801 12.955 6.671 1.00 0.00 C ATOM 124 OE1 GLU A 12 -7.875 12.634 6.118 1.00 0.00 O ATOM 125 OE2 GLU A 12 -6.405 14.121 6.885 1.00 0.00 O ATOM 0 H GLU A 12 -5.229 12.896 4.652 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.565 11.315 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.454 10.874 5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.620 9.808 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.343 11.299 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.939 12.224 7.479 1.00 0.00 H new ATOM 132 N LEU A 13 -4.601 9.657 3.397 1.00 0.00 N ATOM 133 CA LEU A 13 -4.282 8.546 2.515 1.00 0.00 C ATOM 134 C LEU A 13 -2.793 8.591 2.164 1.00 0.00 C ATOM 135 O LEU A 13 -2.047 7.669 2.489 1.00 0.00 O ATOM 136 CB LEU A 13 -5.203 8.551 1.294 1.00 0.00 C ATOM 137 CG LEU A 13 -5.554 7.179 0.714 1.00 0.00 C ATOM 138 CD1 LEU A 13 -6.939 7.198 0.062 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.471 6.699 -0.254 1.00 0.00 C ATOM 0 H LEU A 13 -5.429 10.190 3.130 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.462 7.596 3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.130 9.057 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.732 9.145 0.511 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.593 6.461 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.164 6.211 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.688 7.465 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.952 7.932 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.745 5.722 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.375 7.410 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.520 6.622 0.273 1.00 0.00 H new ATOM 151 N ASP A 14 -2.406 9.673 1.504 1.00 0.00 N ATOM 152 CA ASP A 14 -1.020 9.851 1.105 1.00 0.00 C ATOM 153 C ASP A 14 -0.105 9.414 2.250 1.00 0.00 C ATOM 154 O ASP A 14 0.886 8.720 2.027 1.00 0.00 O ATOM 155 CB ASP A 14 -0.720 11.318 0.793 1.00 0.00 C ATOM 156 CG ASP A 14 0.684 11.590 0.250 1.00 0.00 C ATOM 157 OD1 ASP A 14 1.274 10.635 -0.301 1.00 0.00 O ATOM 158 OD2 ASP A 14 1.136 12.746 0.399 1.00 0.00 O ATOM 0 H ASP A 14 -3.028 10.435 1.236 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.846 9.251 0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.450 11.676 0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.861 11.903 1.702 1.00 0.00 H new ATOM 163 N SER A 15 -0.468 9.838 3.452 1.00 0.00 N ATOM 164 CA SER A 15 0.308 9.500 4.632 1.00 0.00 C ATOM 165 C SER A 15 0.677 8.015 4.608 1.00 0.00 C ATOM 166 O SER A 15 1.855 7.663 4.641 1.00 0.00 O ATOM 167 CB SER A 15 -0.460 9.835 5.912 1.00 0.00 C ATOM 168 OG SER A 15 0.414 10.093 7.007 1.00 0.00 O ATOM 0 H SER A 15 -1.290 10.413 3.633 1.00 0.00 H new ATOM 0 HA SER A 15 1.221 10.095 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.091 10.707 5.739 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.123 9.007 6.164 1.00 0.00 H new ATOM 0 HG SER A 15 -0.115 10.305 7.805 1.00 0.00 H new ATOM 174 N LEU A 16 -0.353 7.183 4.550 1.00 0.00 N ATOM 175 CA LEU A 16 -0.153 5.744 4.521 1.00 0.00 C ATOM 176 C LEU A 16 0.841 5.395 3.411 1.00 0.00 C ATOM 177 O LEU A 16 1.858 4.751 3.664 1.00 0.00 O ATOM 178 CB LEU A 16 -1.494 5.019 4.396 1.00 0.00 C ATOM 179 CG LEU A 16 -2.522 5.319 5.489 1.00 0.00 C ATOM 180 CD1 LEU A 16 -3.910 4.813 5.089 1.00 0.00 C ATOM 181 CD2 LEU A 16 -2.072 4.751 6.836 1.00 0.00 C ATOM 0 H LEU A 16 -1.329 7.478 4.522 1.00 0.00 H new ATOM 0 HA LEU A 16 0.282 5.400 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.934 5.273 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.305 3.946 4.387 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.593 6.401 5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.622 5.039 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.225 5.304 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.873 3.735 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.821 4.978 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.955 3.670 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.120 5.199 7.120 1.00 0.00 H new ATOM 193 N ILE A 17 0.512 5.835 2.206 1.00 0.00 N ATOM 194 CA ILE A 17 1.363 5.577 1.057 1.00 0.00 C ATOM 195 C ILE A 17 2.799 5.986 1.389 1.00 0.00 C ATOM 196 O ILE A 17 3.678 5.134 1.513 1.00 0.00 O ATOM 197 CB ILE A 17 0.801 6.262 -0.191 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.534 5.639 -0.604 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.820 6.243 -1.332 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.147 6.392 -1.787 1.00 0.00 C ATOM 0 H ILE A 17 -0.332 6.369 2.000 1.00 0.00 H new ATOM 0 HA ILE A 17 1.380 4.512 0.827 1.00 0.00 H new ATOM 0 HB ILE A 17 0.607 7.307 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.384 4.593 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.224 5.656 0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.396 6.736 -2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.723 6.768 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.068 5.211 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.095 5.929 -2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.318 7.432 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.465 6.352 -2.636 1.00 0.00 H new ATOM 212 N SER A 18 2.993 7.289 1.524 1.00 0.00 N ATOM 213 CA SER A 18 4.308 7.821 1.839 1.00 0.00 C ATOM 214 C SER A 18 4.965 6.978 2.933 1.00 0.00 C ATOM 215 O SER A 18 6.093 6.515 2.772 1.00 0.00 O ATOM 216 CB SER A 18 4.219 9.284 2.278 1.00 0.00 C ATOM 217 OG SER A 18 3.739 9.413 3.613 1.00 0.00 O ATOM 0 H SER A 18 2.262 7.993 1.421 1.00 0.00 H new ATOM 0 HA SER A 18 4.920 7.776 0.938 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.203 9.746 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.558 9.826 1.601 1.00 0.00 H new ATOM 0 HG SER A 18 2.808 9.110 3.657 1.00 0.00 H new ATOM 223 N GLN A 19 4.232 6.805 4.023 1.00 0.00 N ATOM 224 CA GLN A 19 4.729 6.026 5.144 1.00 0.00 C ATOM 225 C GLN A 19 5.368 4.727 4.646 1.00 0.00 C ATOM 226 O GLN A 19 6.511 4.424 4.984 1.00 0.00 O ATOM 227 CB GLN A 19 3.613 5.737 6.150 1.00 0.00 C ATOM 228 CG GLN A 19 3.292 6.979 6.984 1.00 0.00 C ATOM 229 CD GLN A 19 3.524 6.715 8.473 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.553 7.050 9.036 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.514 6.095 9.077 1.00 0.00 N ATOM 0 H GLN A 19 3.297 7.191 4.154 1.00 0.00 H new ATOM 0 HA GLN A 19 5.492 6.611 5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.718 5.408 5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.913 4.921 6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.915 7.812 6.657 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.255 7.273 6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.680 5.842 8.547 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.573 5.872 10.071 1.00 0.00 H new ATOM 240 N VAL A 20 4.601 3.996 3.851 1.00 0.00 N ATOM 241 CA VAL A 20 5.078 2.737 3.303 1.00 0.00 C ATOM 242 C VAL A 20 6.184 3.016 2.283 1.00 0.00 C ATOM 243 O VAL A 20 7.279 2.464 2.383 1.00 0.00 O ATOM 244 CB VAL A 20 3.908 1.946 2.714 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.407 0.739 1.919 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.931 1.515 3.810 1.00 0.00 C ATOM 0 H VAL A 20 3.653 4.251 3.573 1.00 0.00 H new ATOM 0 HA VAL A 20 5.509 2.117 4.089 1.00 0.00 H new ATOM 0 HB VAL A 20 3.373 2.601 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.555 0.194 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.044 1.079 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.978 0.082 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.109 0.955 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.450 0.885 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.537 2.398 4.314 1.00 0.00 H new ATOM 256 N LYS A 21 5.860 3.872 1.326 1.00 0.00 N ATOM 257 CA LYS A 21 6.813 4.231 0.289 1.00 0.00 C ATOM 258 C LYS A 21 8.175 4.507 0.928 1.00 0.00 C ATOM 259 O LYS A 21 9.178 3.905 0.546 1.00 0.00 O ATOM 260 CB LYS A 21 6.280 5.395 -0.549 1.00 0.00 C ATOM 261 CG LYS A 21 6.337 5.066 -2.042 1.00 0.00 C ATOM 262 CD LYS A 21 7.369 5.940 -2.757 1.00 0.00 C ATOM 263 CE LYS A 21 6.863 7.377 -2.905 1.00 0.00 C ATOM 264 NZ LYS A 21 7.132 8.150 -1.672 1.00 0.00 N ATOM 0 H LYS A 21 4.951 4.328 1.246 1.00 0.00 H new ATOM 0 HA LYS A 21 6.948 3.403 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.252 5.615 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.867 6.291 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.590 4.014 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.355 5.217 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.304 5.936 -2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.584 5.523 -3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.351 7.855 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.793 7.373 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.274 9.151 -1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.324 8.061 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.988 7.781 -1.211 1.00 0.00 H new ATOM 278 N ASP A 22 8.169 5.418 1.890 1.00 0.00 N ATOM 279 CA ASP A 22 9.392 5.782 2.585 1.00 0.00 C ATOM 280 C ASP A 22 10.187 4.514 2.906 1.00 0.00 C ATOM 281 O ASP A 22 11.416 4.539 2.932 1.00 0.00 O ATOM 282 CB ASP A 22 9.085 6.493 3.904 1.00 0.00 C ATOM 283 CG ASP A 22 10.159 7.476 4.374 1.00 0.00 C ATOM 284 OD1 ASP A 22 10.139 8.621 3.872 1.00 0.00 O ATOM 285 OD2 ASP A 22 10.975 7.061 5.224 1.00 0.00 O ATOM 0 H ASP A 22 7.336 5.915 2.205 1.00 0.00 H new ATOM 0 HA ASP A 22 9.961 6.450 1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.143 7.031 3.799 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.938 5.741 4.679 1.00 0.00 H new ATOM 290 N LEU A 23 9.452 3.437 3.141 1.00 0.00 N ATOM 291 CA LEU A 23 10.073 2.162 3.458 1.00 0.00 C ATOM 292 C LEU A 23 10.321 1.384 2.164 1.00 0.00 C ATOM 293 O LEU A 23 11.334 0.700 2.031 1.00 0.00 O ATOM 294 CB LEU A 23 9.234 1.398 4.484 1.00 0.00 C ATOM 295 CG LEU A 23 8.953 2.129 5.799 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.251 1.209 6.799 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.235 2.731 6.376 1.00 0.00 C ATOM 0 H LEU A 23 8.432 3.421 3.118 1.00 0.00 H new ATOM 0 HA LEU A 23 11.044 2.318 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.280 1.140 4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.741 0.461 4.713 1.00 0.00 H new ATOM 0 HG LEU A 23 8.274 2.956 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.063 1.753 7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.304 0.870 6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.885 0.347 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.007 3.245 7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.957 1.937 6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.656 3.441 5.664 1.00 0.00 H new ATOM 309 N LEU A 24 9.377 1.514 1.243 1.00 0.00 N ATOM 310 CA LEU A 24 9.479 0.831 -0.035 1.00 0.00 C ATOM 311 C LEU A 24 9.255 1.838 -1.165 1.00 0.00 C ATOM 312 O LEU A 24 8.213 1.821 -1.819 1.00 0.00 O ATOM 313 CB LEU A 24 8.529 -0.367 -0.081 1.00 0.00 C ATOM 314 CG LEU A 24 8.803 -1.479 0.934 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.731 -2.568 0.855 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.212 -2.047 0.758 1.00 0.00 C ATOM 0 H LEU A 24 8.538 2.082 1.357 1.00 0.00 H new ATOM 0 HA LEU A 24 10.479 0.419 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.512 -0.005 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.567 -0.798 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 24 8.753 -1.049 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.949 -3.347 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.754 -2.133 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.725 -3.001 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.381 -2.835 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.316 -2.458 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.945 -1.253 0.903 1.00 0.00 H new ATOM 328 N PRO A 25 10.276 2.714 -1.366 1.00 0.00 N ATOM 329 CA PRO A 25 10.199 3.726 -2.406 1.00 0.00 C ATOM 330 C PRO A 25 10.412 3.108 -3.789 1.00 0.00 C ATOM 331 O PRO A 25 9.917 3.628 -4.788 1.00 0.00 O ATOM 332 CB PRO A 25 11.266 4.746 -2.041 1.00 0.00 C ATOM 333 CG PRO A 25 12.207 4.039 -1.079 1.00 0.00 C ATOM 334 CD PRO A 25 11.524 2.764 -0.611 1.00 0.00 C ATOM 0 HA PRO A 25 9.218 4.198 -2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.799 5.088 -2.928 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.822 5.627 -1.577 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.152 3.807 -1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.438 4.682 -0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.142 1.888 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.337 2.786 0.463 1.00 0.00 H new ATOM 342 N ASP A 26 11.148 2.007 -3.803 1.00 0.00 N ATOM 343 CA ASP A 26 11.433 1.312 -5.048 1.00 0.00 C ATOM 344 C ASP A 26 10.121 1.049 -5.790 1.00 0.00 C ATOM 345 O ASP A 26 9.993 1.380 -6.968 1.00 0.00 O ATOM 346 CB ASP A 26 12.106 -0.036 -4.785 1.00 0.00 C ATOM 347 CG ASP A 26 12.256 -0.935 -6.014 1.00 0.00 C ATOM 348 OD1 ASP A 26 13.272 -0.764 -6.721 1.00 0.00 O ATOM 349 OD2 ASP A 26 11.351 -1.773 -6.217 1.00 0.00 O ATOM 0 H ASP A 26 11.556 1.578 -2.972 1.00 0.00 H new ATOM 0 HA ASP A 26 12.101 1.938 -5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.095 0.145 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.530 -0.571 -4.030 1.00 0.00 H new ATOM 354 N LEU A 27 9.180 0.454 -5.071 1.00 0.00 N ATOM 355 CA LEU A 27 7.883 0.142 -5.647 1.00 0.00 C ATOM 356 C LEU A 27 7.156 1.444 -5.991 1.00 0.00 C ATOM 357 O LEU A 27 7.474 2.499 -5.445 1.00 0.00 O ATOM 358 CB LEU A 27 7.091 -0.777 -4.716 1.00 0.00 C ATOM 359 CG LEU A 27 7.667 -2.179 -4.507 1.00 0.00 C ATOM 360 CD1 LEU A 27 7.043 -2.852 -3.283 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.514 -3.029 -5.770 1.00 0.00 C ATOM 0 H LEU A 27 9.290 0.180 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 27 8.003 -0.412 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.008 -0.292 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.080 -0.876 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 27 8.735 -2.083 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.470 -3.847 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.248 -2.254 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.965 -2.935 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.931 -4.020 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.457 -3.120 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.044 -2.553 -6.595 1.00 0.00 H new ATOM 373 N GLY A 28 6.195 1.326 -6.895 1.00 0.00 N ATOM 374 CA GLY A 28 5.420 2.480 -7.318 1.00 0.00 C ATOM 375 C GLY A 28 4.188 2.669 -6.431 1.00 0.00 C ATOM 376 O GLY A 28 3.513 1.700 -6.085 1.00 0.00 O ATOM 0 H GLY A 28 5.935 0.449 -7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.042 3.374 -7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.110 2.354 -8.355 1.00 0.00 H new ATOM 380 N GLU A 29 3.932 3.923 -6.088 1.00 0.00 N ATOM 381 CA GLU A 29 2.793 4.251 -5.248 1.00 0.00 C ATOM 382 C GLU A 29 1.544 3.513 -5.734 1.00 0.00 C ATOM 383 O GLU A 29 0.858 2.861 -4.948 1.00 0.00 O ATOM 384 CB GLU A 29 2.556 5.762 -5.210 1.00 0.00 C ATOM 385 CG GLU A 29 3.389 6.420 -4.108 1.00 0.00 C ATOM 386 CD GLU A 29 2.850 7.812 -3.770 1.00 0.00 C ATOM 387 OE1 GLU A 29 1.628 7.901 -3.519 1.00 0.00 O ATOM 388 OE2 GLU A 29 3.671 8.754 -3.771 1.00 0.00 O ATOM 0 H GLU A 29 4.494 4.724 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 29 3.012 3.925 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.813 6.198 -6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.498 5.964 -5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.376 5.795 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.428 6.496 -4.429 1.00 0.00 H new ATOM 395 N GLY A 30 1.287 3.639 -7.028 1.00 0.00 N ATOM 396 CA GLY A 30 0.133 2.992 -7.628 1.00 0.00 C ATOM 397 C GLY A 30 -0.078 1.594 -7.044 1.00 0.00 C ATOM 398 O GLY A 30 -1.202 1.217 -6.718 1.00 0.00 O ATOM 0 H GLY A 30 1.858 4.180 -7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.757 3.598 -7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.271 2.922 -8.707 1.00 0.00 H new ATOM 402 N PHE A 31 1.022 0.864 -6.929 1.00 0.00 N ATOM 403 CA PHE A 31 0.972 -0.484 -6.389 1.00 0.00 C ATOM 404 C PHE A 31 0.883 -0.461 -4.862 1.00 0.00 C ATOM 405 O PHE A 31 0.270 -1.340 -4.259 1.00 0.00 O ATOM 406 CB PHE A 31 2.270 -1.180 -6.802 1.00 0.00 C ATOM 407 CG PHE A 31 2.585 -2.441 -5.995 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.114 -3.648 -6.409 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.334 -2.355 -4.863 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.406 -4.819 -5.660 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.626 -3.525 -4.114 1.00 0.00 C ATOM 412 CZ PHE A 31 3.155 -4.733 -4.528 1.00 0.00 C ATOM 0 H PHE A 31 1.953 1.181 -7.201 1.00 0.00 H new ATOM 0 HA PHE A 31 0.093 -1.004 -6.769 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.209 -1.443 -7.858 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.096 -0.477 -6.696 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.518 -3.716 -7.307 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.707 -1.396 -4.534 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.033 -5.778 -5.989 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.222 -3.457 -3.216 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.376 -5.623 -3.958 1.00 0.00 H new ATOM 422 N ILE A 32 1.503 0.556 -4.281 1.00 0.00 N ATOM 423 CA ILE A 32 1.501 0.706 -2.836 1.00 0.00 C ATOM 424 C ILE A 32 0.089 1.059 -2.365 1.00 0.00 C ATOM 425 O ILE A 32 -0.338 0.630 -1.294 1.00 0.00 O ATOM 426 CB ILE A 32 2.565 1.716 -2.401 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.956 1.282 -2.866 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.513 1.950 -0.890 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.913 2.474 -2.920 1.00 0.00 C ATOM 0 H ILE A 32 2.010 1.284 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 32 1.771 -0.234 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 32 2.348 2.669 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.350 0.525 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.887 0.822 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.279 2.672 -0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.531 2.336 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.691 1.009 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.895 2.138 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.528 3.218 -3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.999 2.917 -1.928 1.00 0.00 H new ATOM 441 N LEU A 33 -0.597 1.837 -3.189 1.00 0.00 N ATOM 442 CA LEU A 33 -1.953 2.253 -2.871 1.00 0.00 C ATOM 443 C LEU A 33 -2.890 1.049 -2.979 1.00 0.00 C ATOM 444 O LEU A 33 -3.634 0.751 -2.046 1.00 0.00 O ATOM 445 CB LEU A 33 -2.370 3.437 -3.746 1.00 0.00 C ATOM 446 CG LEU A 33 -3.845 3.835 -3.678 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.701 2.921 -4.558 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.339 3.862 -2.230 1.00 0.00 C ATOM 0 H LEU A 33 -0.240 2.190 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.010 2.611 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.768 4.301 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.125 3.202 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.944 4.847 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.745 3.226 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.367 2.995 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.601 1.890 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.391 4.148 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.223 2.873 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.755 4.585 -1.660 1.00 0.00 H new ATOM 460 N ALA A 34 -2.823 0.388 -4.125 1.00 0.00 N ATOM 461 CA ALA A 34 -3.656 -0.777 -4.367 1.00 0.00 C ATOM 462 C ALA A 34 -3.569 -1.720 -3.165 1.00 0.00 C ATOM 463 O ALA A 34 -4.587 -2.070 -2.571 1.00 0.00 O ATOM 464 CB ALA A 34 -3.223 -1.453 -5.670 1.00 0.00 C ATOM 0 H ALA A 34 -2.204 0.637 -4.897 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.700 -0.485 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.848 -2.327 -5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.331 -0.751 -6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.181 -1.762 -5.591 1.00 0.00 H new ATOM 470 N CYS A 35 -2.342 -2.104 -2.842 1.00 0.00 N ATOM 471 CA CYS A 35 -2.109 -2.999 -1.722 1.00 0.00 C ATOM 472 C CYS A 35 -2.864 -2.455 -0.507 1.00 0.00 C ATOM 473 O CYS A 35 -3.639 -3.176 0.120 1.00 0.00 O ATOM 474 CB CYS A 35 -0.615 -3.169 -1.436 1.00 0.00 C ATOM 475 SG CYS A 35 0.060 -4.546 -2.434 1.00 0.00 S ATOM 0 H CYS A 35 -1.499 -1.811 -3.337 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.482 -3.994 -1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.084 -2.246 -1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.460 -3.367 -0.376 1.00 0.00 H new ATOM 0 HG CYS A 35 1.165 -4.168 -3.004 1.00 0.00 H new ATOM 481 N LEU A 36 -2.612 -1.188 -0.212 1.00 0.00 N ATOM 482 CA LEU A 36 -3.259 -0.540 0.916 1.00 0.00 C ATOM 483 C LEU A 36 -4.768 -0.779 0.839 1.00 0.00 C ATOM 484 O LEU A 36 -5.353 -1.374 1.744 1.00 0.00 O ATOM 485 CB LEU A 36 -2.873 0.939 0.977 1.00 0.00 C ATOM 486 CG LEU A 36 -1.631 1.275 1.806 1.00 0.00 C ATOM 487 CD1 LEU A 36 -1.091 2.661 1.448 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.918 1.140 3.303 1.00 0.00 C ATOM 0 H LEU A 36 -1.969 -0.593 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.915 -0.975 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.713 1.295 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.717 1.498 1.381 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.852 0.553 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.209 2.875 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.823 2.685 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.856 3.412 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.019 1.384 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.720 1.823 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.220 0.116 3.525 1.00 0.00 H new ATOM 500 N GLU A 37 -5.356 -0.303 -0.248 1.00 0.00 N ATOM 501 CA GLU A 37 -6.786 -0.457 -0.455 1.00 0.00 C ATOM 502 C GLU A 37 -7.227 -1.873 -0.077 1.00 0.00 C ATOM 503 O GLU A 37 -8.066 -2.051 0.805 1.00 0.00 O ATOM 504 CB GLU A 37 -7.170 -0.130 -1.899 1.00 0.00 C ATOM 505 CG GLU A 37 -7.399 1.372 -2.079 1.00 0.00 C ATOM 506 CD GLU A 37 -8.606 1.638 -2.981 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.660 1.020 -2.717 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.447 2.453 -3.916 1.00 0.00 O ATOM 0 H GLU A 37 -4.868 0.190 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.305 0.250 0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.382 -0.465 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.074 -0.674 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.557 1.839 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.509 1.830 -2.511 1.00 0.00 H new ATOM 515 N TYR A 38 -6.642 -2.843 -0.763 1.00 0.00 N ATOM 516 CA TYR A 38 -6.964 -4.237 -0.511 1.00 0.00 C ATOM 517 C TYR A 38 -6.944 -4.542 0.989 1.00 0.00 C ATOM 518 O TYR A 38 -7.886 -5.128 1.519 1.00 0.00 O ATOM 519 CB TYR A 38 -5.870 -5.055 -1.200 1.00 0.00 C ATOM 520 CG TYR A 38 -6.111 -6.565 -1.172 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.892 -7.278 -0.011 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.546 -7.215 -2.309 1.00 0.00 C ATOM 523 CE1 TYR A 38 -6.119 -8.700 0.015 1.00 0.00 C ATOM 524 CE2 TYR A 38 -6.773 -8.637 -2.283 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.548 -9.309 -1.122 1.00 0.00 C ATOM 526 OH TYR A 38 -6.763 -10.652 -1.098 1.00 0.00 O ATOM 0 H TYR A 38 -5.947 -2.691 -1.494 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.960 -4.474 -0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.786 -4.730 -2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.915 -4.841 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.550 -6.770 0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.716 -6.657 -3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.952 -9.270 0.917 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.114 -9.158 -3.165 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.068 -10.950 -1.980 1.00 0.00 H new ATOM 536 N TYR A 39 -5.860 -4.130 1.629 1.00 0.00 N ATOM 537 CA TYR A 39 -5.705 -4.351 3.057 1.00 0.00 C ATOM 538 C TYR A 39 -6.347 -3.219 3.860 1.00 0.00 C ATOM 539 O TYR A 39 -5.764 -2.731 4.827 1.00 0.00 O ATOM 540 CB TYR A 39 -4.198 -4.357 3.321 1.00 0.00 C ATOM 541 CG TYR A 39 -3.482 -5.611 2.816 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.728 -6.833 3.410 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.590 -5.521 1.767 1.00 0.00 C ATOM 544 CE1 TYR A 39 -3.054 -8.013 2.934 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.917 -6.702 1.291 1.00 0.00 C ATOM 546 CZ TYR A 39 -2.182 -7.890 1.898 1.00 0.00 C ATOM 547 OH TYR A 39 -1.546 -9.005 1.449 1.00 0.00 O ATOM 0 H TYR A 39 -5.080 -3.644 1.185 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.186 -5.283 3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.753 -3.482 2.847 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.027 -4.261 4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.426 -6.904 4.231 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.397 -4.565 1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.237 -8.975 3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.217 -6.646 0.470 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.598 -9.708 2.130 1.00 0.00 H new ATOM 557 N HIS A 40 -7.540 -2.834 3.430 1.00 0.00 N ATOM 558 CA HIS A 40 -8.268 -1.768 4.098 1.00 0.00 C ATOM 559 C HIS A 40 -7.299 -0.649 4.485 1.00 0.00 C ATOM 560 O HIS A 40 -7.165 -0.319 5.663 1.00 0.00 O ATOM 561 CB HIS A 40 -9.054 -2.312 5.292 1.00 0.00 C ATOM 562 CG HIS A 40 -10.151 -3.280 4.916 1.00 0.00 C ATOM 563 ND1 HIS A 40 -11.477 -3.079 5.257 1.00 0.00 N ATOM 564 CD2 HIS A 40 -10.105 -4.455 4.225 1.00 0.00 C ATOM 565 CE1 HIS A 40 -12.188 -4.094 4.789 1.00 0.00 C ATOM 566 NE2 HIS A 40 -11.335 -4.946 4.150 1.00 0.00 N ATOM 0 H HIS A 40 -8.020 -3.241 2.628 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.005 -1.343 3.416 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.363 -2.809 5.973 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.492 -1.476 5.837 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.217 -4.909 3.809 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.255 -4.224 4.895 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.600 -5.817 3.690 1.00 0.00 H new ATOM 574 N TYR A 41 -6.647 -0.097 3.472 1.00 0.00 N ATOM 575 CA TYR A 41 -5.694 0.978 3.693 1.00 0.00 C ATOM 576 C TYR A 41 -4.862 0.723 4.951 1.00 0.00 C ATOM 577 O TYR A 41 -4.819 1.560 5.851 1.00 0.00 O ATOM 578 CB TYR A 41 -6.527 2.245 3.894 1.00 0.00 C ATOM 579 CG TYR A 41 -7.216 2.746 2.623 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.459 3.173 1.551 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.593 2.772 2.549 1.00 0.00 C ATOM 582 CE1 TYR A 41 -7.106 3.645 0.355 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.241 3.244 1.352 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.466 3.657 0.314 1.00 0.00 C ATOM 585 OH TYR A 41 -9.077 4.102 -0.816 1.00 0.00 O ATOM 0 H TYR A 41 -6.760 -0.374 2.497 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.006 1.060 2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.285 2.052 4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.882 3.034 4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.381 3.153 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.185 2.439 3.388 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.525 3.982 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.318 3.269 1.281 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.049 4.053 -0.703 1.00 0.00 H new ATOM 595 N ASP A 42 -4.221 -0.436 4.973 1.00 0.00 N ATOM 596 CA ASP A 42 -3.392 -0.812 6.106 1.00 0.00 C ATOM 597 C ASP A 42 -1.923 -0.819 5.677 1.00 0.00 C ATOM 598 O ASP A 42 -1.544 -1.549 4.762 1.00 0.00 O ATOM 599 CB ASP A 42 -3.746 -2.213 6.607 1.00 0.00 C ATOM 600 CG ASP A 42 -3.051 -2.631 7.904 1.00 0.00 C ATOM 601 OD1 ASP A 42 -1.815 -2.454 7.968 1.00 0.00 O ATOM 602 OD2 ASP A 42 -3.771 -3.117 8.803 1.00 0.00 O ATOM 0 H ASP A 42 -4.259 -1.128 4.224 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.564 -0.090 6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.824 -2.267 6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.495 -2.935 5.829 1.00 0.00 H new ATOM 607 N PRO A 43 -1.116 0.022 6.377 1.00 0.00 N ATOM 608 CA PRO A 43 0.303 0.119 6.078 1.00 0.00 C ATOM 609 C PRO A 43 1.059 -1.102 6.607 1.00 0.00 C ATOM 610 O PRO A 43 1.683 -1.831 5.838 1.00 0.00 O ATOM 611 CB PRO A 43 0.753 1.421 6.721 1.00 0.00 C ATOM 612 CG PRO A 43 -0.315 1.771 7.744 1.00 0.00 C ATOM 613 CD PRO A 43 -1.530 0.901 7.466 1.00 0.00 C ATOM 0 HA PRO A 43 0.508 0.128 5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.727 1.306 7.197 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.854 2.210 5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.054 1.599 8.755 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.578 2.827 7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.818 0.329 8.348 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.392 1.504 7.182 1.00 0.00 H new ATOM 621 N GLU A 44 0.978 -1.286 7.916 1.00 0.00 N ATOM 622 CA GLU A 44 1.647 -2.406 8.557 1.00 0.00 C ATOM 623 C GLU A 44 1.387 -3.696 7.777 1.00 0.00 C ATOM 624 O GLU A 44 2.325 -4.367 7.350 1.00 0.00 O ATOM 625 CB GLU A 44 1.204 -2.548 10.015 1.00 0.00 C ATOM 626 CG GLU A 44 2.391 -2.887 10.918 1.00 0.00 C ATOM 627 CD GLU A 44 1.933 -3.649 12.163 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.137 -4.597 11.987 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.389 -3.267 13.262 1.00 0.00 O ATOM 0 H GLU A 44 0.459 -0.679 8.551 1.00 0.00 H new ATOM 0 HA GLU A 44 2.720 -2.213 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.741 -1.620 10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.447 -3.329 10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.113 -3.488 10.365 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.900 -1.970 11.215 1.00 0.00 H new ATOM 636 N GLN A 45 0.109 -4.005 7.615 1.00 0.00 N ATOM 637 CA GLN A 45 -0.286 -5.203 6.894 1.00 0.00 C ATOM 638 C GLN A 45 0.502 -5.321 5.588 1.00 0.00 C ATOM 639 O GLN A 45 1.246 -6.281 5.393 1.00 0.00 O ATOM 640 CB GLN A 45 -1.793 -5.211 6.627 1.00 0.00 C ATOM 641 CG GLN A 45 -2.564 -5.713 7.849 1.00 0.00 C ATOM 642 CD GLN A 45 -4.004 -6.075 7.479 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.261 -6.887 6.605 1.00 0.00 O ATOM 644 NE2 GLN A 45 -4.924 -5.430 8.190 1.00 0.00 N ATOM 0 H GLN A 45 -0.667 -3.446 7.971 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.055 -6.069 7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.126 -4.205 6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.010 -5.847 5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.062 -6.586 8.267 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.566 -4.945 8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.639 -4.763 8.907 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.915 -5.602 8.018 1.00 0.00 H new ATOM 653 N VAL A 46 0.313 -4.331 4.728 1.00 0.00 N ATOM 654 CA VAL A 46 0.997 -4.312 3.446 1.00 0.00 C ATOM 655 C VAL A 46 2.468 -4.680 3.653 1.00 0.00 C ATOM 656 O VAL A 46 2.913 -5.742 3.219 1.00 0.00 O ATOM 657 CB VAL A 46 0.811 -2.951 2.774 1.00 0.00 C ATOM 658 CG1 VAL A 46 1.604 -2.871 1.468 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.671 -2.656 2.534 1.00 0.00 C ATOM 0 H VAL A 46 -0.304 -3.536 4.894 1.00 0.00 H new ATOM 0 HA VAL A 46 0.567 -5.054 2.773 1.00 0.00 H new ATOM 0 HB VAL A 46 1.200 -2.189 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.454 -1.893 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.664 -3.015 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.260 -3.648 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.775 -1.682 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.095 -3.425 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.200 -2.650 3.487 1.00 0.00 H new ATOM 669 N ILE A 47 3.182 -3.783 4.316 1.00 0.00 N ATOM 670 CA ILE A 47 4.593 -4.000 4.586 1.00 0.00 C ATOM 671 C ILE A 47 4.797 -5.429 5.093 1.00 0.00 C ATOM 672 O ILE A 47 5.618 -6.171 4.556 1.00 0.00 O ATOM 673 CB ILE A 47 5.129 -2.927 5.536 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.110 -1.548 4.874 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.521 -3.297 6.052 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.119 -0.435 5.923 1.00 0.00 C ATOM 0 H ILE A 47 2.810 -2.904 4.675 1.00 0.00 H new ATOM 0 HA ILE A 47 5.176 -3.900 3.670 1.00 0.00 H new ATOM 0 HB ILE A 47 4.468 -2.877 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.976 -1.443 4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.223 -1.454 4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.879 -2.518 6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.470 -4.244 6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.207 -3.393 5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.105 0.534 5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.239 -0.528 6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.019 -0.517 6.533 1.00 0.00 H new ATOM 688 N ASN A 48 4.036 -5.771 6.122 1.00 0.00 N ATOM 689 CA ASN A 48 4.123 -7.098 6.708 1.00 0.00 C ATOM 690 C ASN A 48 4.029 -8.148 5.599 1.00 0.00 C ATOM 691 O ASN A 48 4.938 -8.958 5.428 1.00 0.00 O ATOM 692 CB ASN A 48 2.975 -7.343 7.690 1.00 0.00 C ATOM 693 CG ASN A 48 3.452 -7.206 9.137 1.00 0.00 C ATOM 694 OD1 ASN A 48 3.789 -8.172 9.801 1.00 0.00 O ATOM 695 ND2 ASN A 48 3.463 -5.954 9.587 1.00 0.00 N ATOM 0 H ASN A 48 3.356 -5.153 6.565 1.00 0.00 H new ATOM 0 HA ASN A 48 5.073 -7.171 7.238 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.171 -6.632 7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.563 -8.340 7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.766 -5.758 10.541 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.168 -5.191 8.978 1.00 0.00 H new ATOM 702 N ASN A 49 2.921 -8.099 4.875 1.00 0.00 N ATOM 703 CA ASN A 49 2.696 -9.036 3.787 1.00 0.00 C ATOM 704 C ASN A 49 3.961 -9.128 2.930 1.00 0.00 C ATOM 705 O ASN A 49 4.611 -10.171 2.887 1.00 0.00 O ATOM 706 CB ASN A 49 1.549 -8.572 2.888 1.00 0.00 C ATOM 707 CG ASN A 49 0.193 -8.940 3.495 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.241 -10.079 3.465 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.449 -7.914 4.047 1.00 0.00 N ATOM 0 H ASN A 49 2.169 -7.425 5.020 1.00 0.00 H new ATOM 0 HA ASN A 49 2.444 -10.003 4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.607 -7.493 2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.647 -9.029 1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.362 -8.057 4.480 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.029 -6.985 4.038 1.00 0.00 H new ATOM 716 N ILE A 50 4.271 -8.022 2.269 1.00 0.00 N ATOM 717 CA ILE A 50 5.445 -7.966 1.415 1.00 0.00 C ATOM 718 C ILE A 50 6.605 -8.690 2.102 1.00 0.00 C ATOM 719 O ILE A 50 7.227 -9.572 1.512 1.00 0.00 O ATOM 720 CB ILE A 50 5.763 -6.517 1.037 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.690 -5.946 0.107 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.164 -6.403 0.433 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.554 -4.433 0.291 1.00 0.00 C ATOM 0 H ILE A 50 3.730 -7.158 2.308 1.00 0.00 H new ATOM 0 HA ILE A 50 5.257 -8.484 0.474 1.00 0.00 H new ATOM 0 HB ILE A 50 5.755 -5.916 1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.946 -6.168 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.734 -6.428 0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.365 -5.364 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.902 -6.745 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.225 -7.019 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.785 -4.052 -0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.275 -4.216 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.505 -3.952 0.064 1.00 0.00 H new ATOM 735 N LEU A 51 6.861 -8.290 3.339 1.00 0.00 N ATOM 736 CA LEU A 51 7.935 -8.890 4.112 1.00 0.00 C ATOM 737 C LEU A 51 7.775 -10.412 4.104 1.00 0.00 C ATOM 738 O LEU A 51 8.737 -11.139 3.861 1.00 0.00 O ATOM 739 CB LEU A 51 7.986 -8.285 5.517 1.00 0.00 C ATOM 740 CG LEU A 51 9.013 -7.171 5.730 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.758 -6.434 7.046 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.440 -7.717 5.646 1.00 0.00 C ATOM 0 H LEU A 51 6.343 -7.558 3.825 1.00 0.00 H new ATOM 0 HA LEU A 51 8.901 -8.668 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.998 -7.892 5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.194 -9.085 6.228 1.00 0.00 H new ATOM 0 HG LEU A 51 8.899 -6.443 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.502 -5.648 7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.762 -5.992 7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.828 -7.137 7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.150 -6.905 5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.585 -8.477 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.603 -8.159 4.663 1.00 0.00 H new ATOM 754 N GLU A 52 6.553 -10.848 4.371 1.00 0.00 N ATOM 755 CA GLU A 52 6.255 -12.270 4.397 1.00 0.00 C ATOM 756 C GLU A 52 5.848 -12.753 3.004 1.00 0.00 C ATOM 757 O GLU A 52 5.249 -13.818 2.862 1.00 0.00 O ATOM 758 CB GLU A 52 5.166 -12.583 5.426 1.00 0.00 C ATOM 759 CG GLU A 52 5.604 -12.166 6.831 1.00 0.00 C ATOM 760 CD GLU A 52 5.930 -13.390 7.690 1.00 0.00 C ATOM 761 OE1 GLU A 52 4.997 -14.192 7.913 1.00 0.00 O ATOM 762 OE2 GLU A 52 7.105 -13.497 8.103 1.00 0.00 O ATOM 0 H GLU A 52 5.758 -10.242 4.571 1.00 0.00 H new ATOM 0 HA GLU A 52 7.156 -12.805 4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.247 -12.062 5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.943 -13.650 5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.479 -11.519 6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.813 -11.585 7.305 1.00 0.00 H new ATOM 769 N GLU A 53 6.189 -11.946 2.010 1.00 0.00 N ATOM 770 CA GLU A 53 5.866 -12.277 0.632 1.00 0.00 C ATOM 771 C GLU A 53 4.477 -12.913 0.551 1.00 0.00 C ATOM 772 O GLU A 53 4.253 -13.824 -0.245 1.00 0.00 O ATOM 773 CB GLU A 53 6.927 -13.199 0.027 1.00 0.00 C ATOM 774 CG GLU A 53 7.974 -12.395 -0.747 1.00 0.00 C ATOM 775 CD GLU A 53 7.625 -12.329 -2.235 1.00 0.00 C ATOM 776 OE1 GLU A 53 7.321 -13.405 -2.795 1.00 0.00 O ATOM 777 OE2 GLU A 53 7.669 -11.205 -2.779 1.00 0.00 O ATOM 0 H GLU A 53 6.686 -11.063 2.131 1.00 0.00 H new ATOM 0 HA GLU A 53 5.857 -11.356 0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.413 -13.769 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.451 -13.919 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.037 -11.386 -0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.955 -12.852 -0.620 1.00 0.00 H new ATOM 784 N ARG A 54 3.580 -12.406 1.384 1.00 0.00 N ATOM 785 CA ARG A 54 2.219 -12.913 1.416 1.00 0.00 C ATOM 786 C ARG A 54 1.284 -11.973 0.653 1.00 0.00 C ATOM 787 O ARG A 54 0.120 -11.815 1.019 1.00 0.00 O ATOM 788 CB ARG A 54 1.719 -13.060 2.855 1.00 0.00 C ATOM 789 CG ARG A 54 2.518 -14.126 3.607 1.00 0.00 C ATOM 790 CD ARG A 54 1.599 -14.995 4.467 1.00 0.00 C ATOM 791 NE ARG A 54 0.577 -15.646 3.617 1.00 0.00 N ATOM 792 CZ ARG A 54 -0.597 -16.105 4.071 1.00 0.00 C ATOM 793 NH1 ARG A 54 -0.905 -15.988 5.370 1.00 0.00 N ATOM 794 NH2 ARG A 54 -1.463 -16.682 3.227 1.00 0.00 N ATOM 0 H ARG A 54 3.769 -11.650 2.042 1.00 0.00 H new ATOM 0 HA ARG A 54 2.220 -13.894 0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.804 -12.104 3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.662 -13.328 2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.055 -14.753 2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.266 -13.647 4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.184 -15.751 4.990 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.115 -14.384 5.229 1.00 0.00 H new ATOM 0 HE ARG A 54 0.779 -15.752 2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.246 -15.550 6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.799 -16.337 5.716 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.229 -16.772 2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.357 -17.031 3.573 1.00 0.00 H new ATOM 808 N LEU A 55 1.828 -11.373 -0.396 1.00 0.00 N ATOM 809 CA LEU A 55 1.057 -10.452 -1.214 1.00 0.00 C ATOM 810 C LEU A 55 0.062 -11.243 -2.065 1.00 0.00 C ATOM 811 O LEU A 55 0.433 -12.221 -2.712 1.00 0.00 O ATOM 812 CB LEU A 55 1.988 -9.555 -2.033 1.00 0.00 C ATOM 813 CG LEU A 55 2.440 -8.261 -1.354 1.00 0.00 C ATOM 814 CD1 LEU A 55 3.239 -7.384 -2.321 1.00 0.00 C ATOM 815 CD2 LEU A 55 1.249 -7.512 -0.752 1.00 0.00 C ATOM 0 H LEU A 55 2.793 -11.507 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 55 0.475 -9.779 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.874 -10.131 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.484 -9.297 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 55 3.105 -8.522 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.548 -6.471 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.121 -7.927 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.617 -7.129 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.598 -6.596 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.539 -7.263 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.760 -8.143 -0.010 1.00 0.00 H new ATOM 827 N ALA A 56 -1.183 -10.792 -2.035 1.00 0.00 N ATOM 828 CA ALA A 56 -2.235 -11.445 -2.795 1.00 0.00 C ATOM 829 C ALA A 56 -1.771 -11.636 -4.240 1.00 0.00 C ATOM 830 O ALA A 56 -0.874 -10.935 -4.705 1.00 0.00 O ATOM 831 CB ALA A 56 -3.522 -10.622 -2.699 1.00 0.00 C ATOM 0 H ALA A 56 -1.487 -9.981 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.449 -12.432 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.311 -11.112 -3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.825 -10.541 -1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.348 -9.625 -3.104 1.00 0.00 H new ATOM 837 N PRO A 57 -2.421 -12.612 -4.928 1.00 0.00 N ATOM 838 CA PRO A 57 -2.084 -12.904 -6.311 1.00 0.00 C ATOM 839 C PRO A 57 -2.637 -11.828 -7.249 1.00 0.00 C ATOM 840 O PRO A 57 -2.326 -11.817 -8.439 1.00 0.00 O ATOM 841 CB PRO A 57 -2.670 -14.281 -6.577 1.00 0.00 C ATOM 842 CG PRO A 57 -3.707 -14.510 -5.489 1.00 0.00 C ATOM 843 CD PRO A 57 -3.489 -13.462 -4.410 1.00 0.00 C ATOM 0 HA PRO A 57 -1.009 -12.902 -6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.125 -14.327 -7.566 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.896 -15.048 -6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.714 -14.432 -5.899 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.609 -15.513 -5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.397 -12.888 -4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.205 -13.922 -3.463 1.00 0.00 H new ATOM 851 N THR A 58 -3.447 -10.949 -6.676 1.00 0.00 N ATOM 852 CA THR A 58 -4.045 -9.872 -7.446 1.00 0.00 C ATOM 853 C THR A 58 -3.194 -8.605 -7.341 1.00 0.00 C ATOM 854 O THR A 58 -3.190 -7.779 -8.252 1.00 0.00 O ATOM 855 CB THR A 58 -5.482 -9.681 -6.954 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.162 -10.848 -7.408 1.00 0.00 O ATOM 857 CG2 THR A 58 -6.197 -8.531 -7.667 1.00 0.00 C ATOM 0 H THR A 58 -3.703 -10.961 -5.689 1.00 0.00 H new ATOM 0 HA THR A 58 -4.079 -10.116 -8.508 1.00 0.00 H new ATOM 0 HB THR A 58 -5.476 -9.494 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.101 -10.808 -7.131 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.212 -8.439 -7.281 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.656 -7.601 -7.491 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.233 -8.733 -8.738 1.00 0.00 H new ATOM 865 N LEU A 59 -2.494 -8.492 -6.222 1.00 0.00 N ATOM 866 CA LEU A 59 -1.641 -7.339 -5.987 1.00 0.00 C ATOM 867 C LEU A 59 -0.221 -7.655 -6.463 1.00 0.00 C ATOM 868 O LEU A 59 0.428 -6.819 -7.089 1.00 0.00 O ATOM 869 CB LEU A 59 -1.716 -6.908 -4.521 1.00 0.00 C ATOM 870 CG LEU A 59 -3.118 -6.845 -3.911 1.00 0.00 C ATOM 871 CD1 LEU A 59 -3.048 -6.709 -2.389 1.00 0.00 C ATOM 872 CD2 LEU A 59 -3.944 -5.726 -4.549 1.00 0.00 C ATOM 0 H LEU A 59 -2.500 -9.179 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.989 -6.483 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.114 -7.598 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.256 -5.924 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.627 -7.784 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.058 -6.666 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.523 -7.568 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.513 -5.796 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.936 -5.703 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.448 -4.769 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.037 -5.908 -5.620 1.00 0.00 H new ATOM 884 N SER A 60 0.219 -8.864 -6.147 1.00 0.00 N ATOM 885 CA SER A 60 1.549 -9.301 -6.535 1.00 0.00 C ATOM 886 C SER A 60 1.693 -9.252 -8.057 1.00 0.00 C ATOM 887 O SER A 60 2.790 -9.045 -8.574 1.00 0.00 O ATOM 888 CB SER A 60 1.838 -10.713 -6.020 1.00 0.00 C ATOM 889 OG SER A 60 3.232 -10.938 -5.831 1.00 0.00 O ATOM 0 H SER A 60 -0.322 -9.555 -5.627 1.00 0.00 H new ATOM 0 HA SER A 60 2.275 -8.624 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.315 -10.869 -5.077 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.445 -11.444 -6.727 1.00 0.00 H new ATOM 0 HG SER A 60 3.374 -11.850 -5.500 1.00 0.00 H new ATOM 895 N GLN A 61 0.570 -9.446 -8.733 1.00 0.00 N ATOM 896 CA GLN A 61 0.557 -9.426 -10.185 1.00 0.00 C ATOM 897 C GLN A 61 0.574 -7.984 -10.697 1.00 0.00 C ATOM 898 O GLN A 61 1.217 -7.685 -11.702 1.00 0.00 O ATOM 899 CB GLN A 61 -0.650 -10.189 -10.734 1.00 0.00 C ATOM 900 CG GLN A 61 -1.960 -9.535 -10.289 1.00 0.00 C ATOM 901 CD GLN A 61 -3.164 -10.222 -10.937 1.00 0.00 C ATOM 902 OE1 GLN A 61 -3.381 -11.414 -10.797 1.00 0.00 O ATOM 903 NE2 GLN A 61 -3.931 -9.405 -11.654 1.00 0.00 N ATOM 0 H GLN A 61 -0.338 -9.618 -8.301 1.00 0.00 H new ATOM 0 HA GLN A 61 1.456 -9.928 -10.543 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.604 -10.215 -11.823 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.619 -11.222 -10.389 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.047 -9.588 -9.204 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.952 -8.478 -10.557 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.692 -8.416 -11.730 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.758 -9.767 -12.128 1.00 0.00 H new ATOM 912 N LEU A 62 -0.142 -7.128 -9.982 1.00 0.00 N ATOM 913 CA LEU A 62 -0.218 -5.725 -10.351 1.00 0.00 C ATOM 914 C LEU A 62 1.187 -5.209 -10.670 1.00 0.00 C ATOM 915 O LEU A 62 2.180 -5.806 -10.257 1.00 0.00 O ATOM 916 CB LEU A 62 -0.935 -4.923 -9.263 1.00 0.00 C ATOM 917 CG LEU A 62 -2.457 -4.832 -9.391 1.00 0.00 C ATOM 918 CD1 LEU A 62 -3.063 -4.084 -8.202 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.859 -4.204 -10.727 1.00 0.00 C ATOM 0 H LEU A 62 -0.674 -7.379 -9.149 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.816 -5.600 -11.253 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.697 -5.366 -8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.529 -3.911 -9.258 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.862 -5.844 -9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.146 -4.033 -8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.821 -4.611 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.655 -3.074 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.946 -4.151 -10.792 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.442 -3.199 -10.797 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.476 -4.813 -11.545 1.00 0.00 H new ATOM 931 N ASP A 63 1.225 -4.106 -11.403 1.00 0.00 N ATOM 932 CA ASP A 63 2.491 -3.503 -11.782 1.00 0.00 C ATOM 933 C ASP A 63 3.243 -3.070 -10.521 1.00 0.00 C ATOM 934 O ASP A 63 2.844 -2.118 -9.853 1.00 0.00 O ATOM 935 CB ASP A 63 2.273 -2.263 -12.651 1.00 0.00 C ATOM 936 CG ASP A 63 3.037 -2.260 -13.977 1.00 0.00 C ATOM 937 OD1 ASP A 63 2.893 -3.256 -14.717 1.00 0.00 O ATOM 938 OD2 ASP A 63 3.748 -1.261 -14.219 1.00 0.00 O ATOM 0 H ASP A 63 0.399 -3.614 -11.744 1.00 0.00 H new ATOM 0 HA ASP A 63 3.061 -4.242 -12.345 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.208 -2.169 -12.862 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.564 -1.382 -12.079 1.00 0.00 H new ATOM 943 N ARG A 64 4.317 -3.791 -10.235 1.00 0.00 N ATOM 944 CA ARG A 64 5.128 -3.493 -9.067 1.00 0.00 C ATOM 945 C ARG A 64 5.451 -1.999 -9.011 1.00 0.00 C ATOM 946 O ARG A 64 5.580 -1.427 -7.930 1.00 0.00 O ATOM 947 CB ARG A 64 6.434 -4.290 -9.085 1.00 0.00 C ATOM 948 CG ARG A 64 6.177 -5.771 -8.800 1.00 0.00 C ATOM 949 CD ARG A 64 7.200 -6.323 -7.805 1.00 0.00 C ATOM 950 NE ARG A 64 7.454 -7.755 -8.083 1.00 0.00 N ATOM 951 CZ ARG A 64 8.404 -8.480 -7.477 1.00 0.00 C ATOM 952 NH1 ARG A 64 9.195 -7.913 -6.557 1.00 0.00 N ATOM 953 NH2 ARG A 64 8.562 -9.773 -7.792 1.00 0.00 N ATOM 0 H ARG A 64 4.644 -4.581 -10.792 1.00 0.00 H new ATOM 0 HA ARG A 64 4.554 -3.777 -8.185 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.917 -4.181 -10.056 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.121 -3.887 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.171 -5.899 -8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.226 -6.338 -9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.130 -5.759 -7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.831 -6.201 -6.786 1.00 0.00 H new ATOM 0 HE ARG A 64 6.870 -8.218 -8.779 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.074 -6.929 -6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.918 -8.465 -6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.959 -10.205 -8.493 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.285 -10.326 -7.331 1.00 0.00 H new ATOM 967 N ASN A 65 5.573 -1.408 -10.191 1.00 0.00 N ATOM 968 CA ASN A 65 5.878 0.009 -10.291 1.00 0.00 C ATOM 969 C ASN A 65 4.675 0.745 -10.882 1.00 0.00 C ATOM 970 O ASN A 65 4.802 1.445 -11.886 1.00 0.00 O ATOM 971 CB ASN A 65 7.078 0.251 -11.209 1.00 0.00 C ATOM 972 CG ASN A 65 6.792 -0.247 -12.627 1.00 0.00 C ATOM 973 OD1 ASN A 65 6.341 0.487 -13.492 1.00 0.00 O ATOM 974 ND2 ASN A 65 7.078 -1.532 -12.818 1.00 0.00 N ATOM 0 H ASN A 65 5.466 -1.885 -11.086 1.00 0.00 H new ATOM 0 HA ASN A 65 6.110 0.375 -9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.313 1.315 -11.234 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.955 -0.260 -10.810 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.922 -1.959 -13.731 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.453 -2.090 -12.051 1.00 0.00 H new ATOM 981 N LEU A 66 3.533 0.562 -10.235 1.00 0.00 N ATOM 982 CA LEU A 66 2.307 1.201 -10.685 1.00 0.00 C ATOM 983 C LEU A 66 2.271 2.642 -10.173 1.00 0.00 C ATOM 984 O LEU A 66 2.607 2.903 -9.019 1.00 0.00 O ATOM 985 CB LEU A 66 1.089 0.371 -10.273 1.00 0.00 C ATOM 986 CG LEU A 66 -0.244 0.779 -10.904 1.00 0.00 C ATOM 987 CD1 LEU A 66 -0.566 -0.095 -12.118 1.00 0.00 C ATOM 988 CD2 LEU A 66 -1.370 0.758 -9.868 1.00 0.00 C ATOM 0 H LEU A 66 3.431 -0.019 -9.403 1.00 0.00 H new ATOM 0 HA LEU A 66 2.279 1.248 -11.774 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.283 -0.672 -10.524 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.987 0.425 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.153 1.805 -11.261 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.518 0.216 -12.548 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.221 0.014 -12.864 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.631 -1.138 -11.808 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.306 1.052 -10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.470 -0.248 -9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.137 1.455 -9.063 1.00 0.00 H new ATOM 1000 N ASP A 67 1.860 3.540 -11.056 1.00 0.00 N ATOM 1001 CA ASP A 67 1.776 4.948 -10.708 1.00 0.00 C ATOM 1002 C ASP A 67 0.344 5.278 -10.281 1.00 0.00 C ATOM 1003 O ASP A 67 -0.559 4.457 -10.437 1.00 0.00 O ATOM 1004 CB ASP A 67 2.128 5.833 -11.906 1.00 0.00 C ATOM 1005 CG ASP A 67 2.131 7.336 -11.619 1.00 0.00 C ATOM 1006 OD1 ASP A 67 3.018 7.765 -10.850 1.00 0.00 O ATOM 1007 OD2 ASP A 67 1.247 8.022 -12.177 1.00 0.00 O ATOM 0 H ASP A 67 1.581 3.320 -12.012 1.00 0.00 H new ATOM 0 HA ASP A 67 2.481 5.139 -9.899 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.113 5.546 -12.274 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.418 5.633 -12.708 1.00 0.00 H new ATOM 1012 N ARG A 68 0.181 6.481 -9.751 1.00 0.00 N ATOM 1013 CA ARG A 68 -1.125 6.930 -9.300 1.00 0.00 C ATOM 1014 C ARG A 68 -1.702 7.955 -10.279 1.00 0.00 C ATOM 1015 O ARG A 68 -2.815 7.787 -10.775 1.00 0.00 O ATOM 1016 CB ARG A 68 -1.041 7.557 -7.907 1.00 0.00 C ATOM 1017 CG ARG A 68 -0.885 6.482 -6.830 1.00 0.00 C ATOM 1018 CD ARG A 68 -2.232 6.156 -6.181 1.00 0.00 C ATOM 1019 NE ARG A 68 -2.837 4.975 -6.837 1.00 0.00 N ATOM 1020 CZ ARG A 68 -3.615 5.037 -7.926 1.00 0.00 C ATOM 1021 NH1 ARG A 68 -3.886 6.222 -8.489 1.00 0.00 N ATOM 1022 NH2 ARG A 68 -4.121 3.914 -8.453 1.00 0.00 N ATOM 0 H ARG A 68 0.932 7.159 -9.624 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.778 6.058 -9.255 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.196 8.245 -7.864 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.939 8.143 -7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.462 5.579 -7.271 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.184 6.824 -6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.095 5.961 -5.117 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.902 7.012 -6.265 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.650 4.057 -6.435 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.500 7.077 -8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.478 6.269 -9.318 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.914 3.012 -8.025 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.713 3.962 -9.282 1.00 0.00 H new ATOM 1036 N GLU A 69 -0.918 8.993 -10.528 1.00 0.00 N ATOM 1037 CA GLU A 69 -1.337 10.045 -11.439 1.00 0.00 C ATOM 1038 C GLU A 69 -2.678 10.631 -10.993 1.00 0.00 C ATOM 1039 O GLU A 69 -3.718 9.991 -11.138 1.00 0.00 O ATOM 1040 CB GLU A 69 -1.416 9.526 -12.876 1.00 0.00 C ATOM 1041 CG GLU A 69 -1.370 10.680 -13.880 1.00 0.00 C ATOM 1042 CD GLU A 69 -1.784 10.210 -15.276 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -2.969 9.842 -15.422 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -0.905 10.230 -16.164 1.00 0.00 O ATOM 0 H GLU A 69 0.005 9.128 -10.115 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.590 10.839 -11.415 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.589 8.842 -13.065 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.337 8.958 -13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.033 11.480 -13.550 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.363 11.095 -13.916 1.00 0.00 H new ATOM 1051 N MET A 70 -2.610 11.842 -10.459 1.00 0.00 N ATOM 1052 CA MET A 70 -3.806 12.521 -9.991 1.00 0.00 C ATOM 1053 C MET A 70 -3.549 14.018 -9.805 1.00 0.00 C ATOM 1054 O MET A 70 -2.532 14.411 -9.236 1.00 0.00 O ATOM 1055 CB MET A 70 -4.253 11.910 -8.661 1.00 0.00 C ATOM 1056 CG MET A 70 -5.644 12.411 -8.267 1.00 0.00 C ATOM 1057 SD MET A 70 -6.864 11.786 -9.411 1.00 0.00 S ATOM 1058 CE MET A 70 -6.979 10.096 -8.849 1.00 0.00 C ATOM 0 H MET A 70 -1.745 12.370 -10.340 1.00 0.00 H new ATOM 0 HA MET A 70 -4.589 12.396 -10.739 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.263 10.823 -8.741 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.536 12.165 -7.880 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.883 12.087 -7.254 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.660 13.501 -8.265 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.722 9.422 -9.667 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.288 9.940 -8.020 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.997 9.892 -8.516 1.00 0.00 H new ATOM 1068 N ASN A 71 -4.489 14.812 -10.295 1.00 0.00 N ATOM 1069 CA ASN A 71 -4.378 16.257 -10.190 1.00 0.00 C ATOM 1070 C ASN A 71 -5.548 16.796 -9.366 1.00 0.00 C ATOM 1071 O ASN A 71 -5.695 18.007 -9.207 1.00 0.00 O ATOM 1072 CB ASN A 71 -4.428 16.915 -11.571 1.00 0.00 C ATOM 1073 CG ASN A 71 -3.025 17.286 -12.053 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -2.489 16.711 -12.987 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -2.461 18.276 -11.367 1.00 0.00 N ATOM 0 H ASN A 71 -5.331 14.482 -10.766 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.425 16.488 -9.715 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.894 16.235 -12.285 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.050 17.809 -11.529 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.524 18.597 -11.612 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.965 18.714 -10.596 1.00 0.00 H new TER 1082 ASN A 71