USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 819 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 98 SER OG : rot 102:sc= 1.18 USER MOD Set 1.2: A 99 ASN : amide:sc= 0.37 K(o=1.5,f=-5.6!) USER MOD Set 2.1: A 39 THR OG1 : rot 70:sc= -0.936 USER MOD Set 2.2: A 90 ASN : amide:sc= -3.77! C(o=-4.7!,f=-14!) USER MOD Set 3.1: A 77 GLN : amide:sc= -0.397 K(o=0.19,f=-0.31) USER MOD Set 3.2: A 80 THR OG1 : rot 66:sc= 0.591 USER MOD Set 4.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 61 LYS NZ :NH3+ 156:sc= 0.0396 (180deg=0) USER MOD Set 5.1: A 31 TYR OH : rot -69:sc= -3.29! USER MOD Set 5.2: A 36 ASN : amide:sc= -4.23! C(o=-7.5!,f=-13!) USER MOD Set 6.1: A 17 THR OG1 : rot 150:sc=-0.000914 USER MOD Set 6.2: A 101 MET CE :methyl -109:sc=-5.9e-08 (180deg=-0.0862) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -52:sc= 0.891 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 147:sc= -2.98! (180deg=-4.98!) USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= 1.82 (180deg=1.33) USER MOD Single : A 30 MET CE :methyl -161:sc= -0.0819 (180deg=-0.5) USER MOD Single : A 35 SER OG : rot -54:sc= 0.803 USER MOD Single : A 37 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.3) USER MOD Single : A 38 ASN : amide:sc= -0.0515 K(o=-0.051,f=-1.1) USER MOD Single : A 42 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-0.7) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0738 USER MOD Single : A 48 TYR OH : rot 31:sc= 1.28 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -58:sc= 0.726 USER MOD Single : A 55 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.7) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -2.1 USER MOD Single : A 71 HIS : no HD1:sc= -1.82 X(o=-1.8,f=-1.6) USER MOD Single : A 72 SER OG : rot 35:sc= 0.782 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 20:sc= -4.06! USER MOD Single : A 85 LYS NZ :NH3+ -126:sc= 1.08 (180deg=-0.182) USER MOD Single : A 86 MET CE :methyl -152:sc= -0.843! (180deg=-3.69!) USER MOD Single : A 87 GLN : amide:sc= -2.68! X(o=-2.7!,f=-2.7) USER MOD Single : A 88 CYS SG : rot 180:sc= -0.205 USER MOD Single : A 95 SER OG : rot -99:sc= -2.04 USER MOD Single : A 103 CYS SG : rot 180:sc= -0.0141 USER MOD Single : A 105 THR OG1 : rot 160:sc= 2.27 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.528 15.139 -13.309 1.00 0.00 N ATOM 2 CA GLY A 1 27.011 14.144 -12.388 1.00 0.00 C ATOM 3 C GLY A 1 25.585 14.432 -11.964 1.00 0.00 C ATOM 4 O GLY A 1 25.242 15.571 -11.649 1.00 0.00 O ATOM 0 H1 GLY A 1 28.506 14.897 -13.569 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.938 15.160 -14.165 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.512 16.074 -12.855 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.056 13.161 -12.857 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.649 14.105 -11.505 1.00 0.00 H new ATOM 8 N SER A 2 24.751 13.397 -11.956 1.00 0.00 N ATOM 9 CA SER A 2 23.352 13.545 -11.572 1.00 0.00 C ATOM 10 C SER A 2 22.722 12.187 -11.280 1.00 0.00 C ATOM 11 O SER A 2 23.354 11.146 -11.459 1.00 0.00 O ATOM 12 CB SER A 2 22.570 14.256 -12.679 1.00 0.00 C ATOM 13 OG SER A 2 22.567 13.491 -13.872 1.00 0.00 O ATOM 0 H SER A 2 25.020 12.447 -12.211 1.00 0.00 H new ATOM 0 HA SER A 2 23.312 14.147 -10.664 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.545 14.429 -12.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.012 15.234 -12.871 1.00 0.00 H new ATOM 0 HG SER A 2 22.060 13.965 -14.564 1.00 0.00 H new ATOM 19 N SER A 3 21.471 12.206 -10.830 1.00 0.00 N ATOM 20 CA SER A 3 20.755 10.977 -10.509 1.00 0.00 C ATOM 21 C SER A 3 19.713 10.661 -11.578 1.00 0.00 C ATOM 22 O SER A 3 18.590 10.266 -11.268 1.00 0.00 O ATOM 23 CB SER A 3 20.080 11.098 -9.142 1.00 0.00 C ATOM 24 OG SER A 3 19.405 9.899 -8.799 1.00 0.00 O ATOM 0 H SER A 3 20.933 13.059 -10.680 1.00 0.00 H new ATOM 0 HA SER A 3 21.477 10.161 -10.478 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.827 11.328 -8.383 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.372 11.927 -9.154 1.00 0.00 H new ATOM 0 HG SER A 3 18.806 9.640 -9.530 1.00 0.00 H new ATOM 30 N GLY A 4 20.095 10.838 -12.839 1.00 0.00 N ATOM 31 CA GLY A 4 19.183 10.567 -13.935 1.00 0.00 C ATOM 32 C GLY A 4 18.095 11.616 -14.056 1.00 0.00 C ATOM 33 O GLY A 4 18.168 12.499 -14.910 1.00 0.00 O ATOM 0 H GLY A 4 21.019 11.164 -13.121 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.745 10.521 -14.868 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.726 9.588 -13.790 1.00 0.00 H new ATOM 37 N SER A 5 17.082 11.517 -13.201 1.00 0.00 N ATOM 38 CA SER A 5 15.971 12.461 -13.220 1.00 0.00 C ATOM 39 C SER A 5 15.495 12.768 -11.803 1.00 0.00 C ATOM 40 O SER A 5 15.599 11.931 -10.906 1.00 0.00 O ATOM 41 CB SER A 5 14.814 11.903 -14.049 1.00 0.00 C ATOM 42 OG SER A 5 14.133 10.877 -13.349 1.00 0.00 O ATOM 0 H SER A 5 17.008 10.793 -12.487 1.00 0.00 H new ATOM 0 HA SER A 5 16.321 13.387 -13.676 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.117 12.705 -14.293 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.194 11.513 -14.993 1.00 0.00 H new ATOM 0 HG SER A 5 13.397 10.538 -13.900 1.00 0.00 H new ATOM 48 N SER A 6 14.972 13.974 -11.609 1.00 0.00 N ATOM 49 CA SER A 6 14.483 14.395 -10.302 1.00 0.00 C ATOM 50 C SER A 6 13.315 13.521 -9.852 1.00 0.00 C ATOM 51 O SER A 6 12.667 12.865 -10.666 1.00 0.00 O ATOM 52 CB SER A 6 14.051 15.862 -10.342 1.00 0.00 C ATOM 53 OG SER A 6 15.175 16.722 -10.411 1.00 0.00 O ATOM 0 H SER A 6 14.876 14.677 -12.341 1.00 0.00 H new ATOM 0 HA SER A 6 15.296 14.284 -9.585 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.406 16.031 -11.204 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.464 16.096 -9.454 1.00 0.00 H new ATOM 0 HG SER A 6 14.873 17.654 -10.437 1.00 0.00 H new ATOM 59 N GLY A 7 13.054 13.519 -8.548 1.00 0.00 N ATOM 60 CA GLY A 7 11.965 12.724 -8.012 1.00 0.00 C ATOM 61 C GLY A 7 12.433 11.730 -6.967 1.00 0.00 C ATOM 62 O GLY A 7 13.567 11.250 -7.000 1.00 0.00 O ATOM 0 H GLY A 7 13.577 14.053 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.219 13.385 -7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.476 12.188 -8.825 1.00 0.00 H new ATOM 66 N PRO A 8 11.548 11.408 -6.013 1.00 0.00 N ATOM 67 CA PRO A 8 11.855 10.462 -4.935 1.00 0.00 C ATOM 68 C PRO A 8 11.980 9.029 -5.439 1.00 0.00 C ATOM 69 O PRO A 8 11.259 8.614 -6.346 1.00 0.00 O ATOM 70 CB PRO A 8 10.654 10.595 -3.994 1.00 0.00 C ATOM 71 CG PRO A 8 9.542 11.070 -4.864 1.00 0.00 C ATOM 72 CD PRO A 8 10.179 11.941 -5.912 1.00 0.00 C ATOM 0 HA PRO A 8 12.812 10.681 -4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.411 9.641 -3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.857 11.302 -3.190 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.018 10.230 -5.320 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.806 11.629 -4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.651 11.876 -6.864 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.177 12.990 -5.618 1.00 0.00 H new ATOM 80 N VAL A 9 12.901 8.276 -4.845 1.00 0.00 N ATOM 81 CA VAL A 9 13.120 6.888 -5.234 1.00 0.00 C ATOM 82 C VAL A 9 13.123 5.971 -4.016 1.00 0.00 C ATOM 83 O VAL A 9 12.647 4.837 -4.079 1.00 0.00 O ATOM 84 CB VAL A 9 14.451 6.720 -5.992 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.337 7.283 -7.400 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.585 7.390 -5.231 1.00 0.00 C ATOM 0 H VAL A 9 13.507 8.604 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 9 12.298 6.610 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 9 14.675 5.656 -6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.286 7.156 -7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 9 13.553 6.754 -7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.090 8.344 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.518 7.262 -5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.372 8.453 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.680 6.936 -4.245 1.00 0.00 H new ATOM 96 N ALA A 10 13.661 6.469 -2.908 1.00 0.00 N ATOM 97 CA ALA A 10 13.723 5.695 -1.674 1.00 0.00 C ATOM 98 C ALA A 10 12.433 4.914 -1.451 1.00 0.00 C ATOM 99 O ALA A 10 12.454 3.791 -0.949 1.00 0.00 O ATOM 100 CB ALA A 10 14.000 6.610 -0.491 1.00 0.00 C ATOM 0 H ALA A 10 14.060 7.405 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 10 14.539 4.978 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.044 6.019 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.952 7.119 -0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.203 7.349 -0.408 1.00 0.00 H new ATOM 106 N GLY A 11 11.309 5.517 -1.826 1.00 0.00 N ATOM 107 CA GLY A 11 10.024 4.863 -1.657 1.00 0.00 C ATOM 108 C GLY A 11 9.732 4.523 -0.209 1.00 0.00 C ATOM 109 O GLY A 11 10.639 4.296 0.593 1.00 0.00 O ATOM 0 H GLY A 11 11.265 6.447 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.237 5.512 -2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.003 3.950 -2.253 1.00 0.00 H new ATOM 113 N PRO A 12 8.439 4.487 0.145 1.00 0.00 N ATOM 114 CA PRO A 12 8.000 4.175 1.509 1.00 0.00 C ATOM 115 C PRO A 12 8.243 2.715 1.876 1.00 0.00 C ATOM 116 O PRO A 12 8.342 1.854 1.002 1.00 0.00 O ATOM 117 CB PRO A 12 6.500 4.476 1.476 1.00 0.00 C ATOM 118 CG PRO A 12 6.112 4.314 0.047 1.00 0.00 C ATOM 119 CD PRO A 12 7.306 4.748 -0.758 1.00 0.00 C ATOM 0 HA PRO A 12 8.548 4.750 2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.945 3.791 2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.291 5.485 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.850 3.279 -0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.239 4.921 -0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.393 4.182 -1.685 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.245 5.801 -1.032 1.00 0.00 H new ATOM 127 N TYR A 13 8.336 2.444 3.173 1.00 0.00 N ATOM 128 CA TYR A 13 8.569 1.088 3.655 1.00 0.00 C ATOM 129 C TYR A 13 7.481 0.665 4.638 1.00 0.00 C ATOM 130 O TYR A 13 7.368 1.220 5.732 1.00 0.00 O ATOM 131 CB TYR A 13 9.941 0.990 4.322 1.00 0.00 C ATOM 132 CG TYR A 13 10.103 -0.232 5.198 1.00 0.00 C ATOM 133 CD1 TYR A 13 10.187 -1.503 4.642 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.171 -0.117 6.581 1.00 0.00 C ATOM 135 CE1 TYR A 13 10.334 -2.623 5.438 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.320 -1.230 7.384 1.00 0.00 C ATOM 137 CZ TYR A 13 10.401 -2.481 6.808 1.00 0.00 C ATOM 138 OH TYR A 13 10.547 -3.593 7.605 1.00 0.00 O ATOM 0 H TYR A 13 8.254 3.145 3.909 1.00 0.00 H new ATOM 0 HA TYR A 13 8.541 0.415 2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.711 0.978 3.550 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.107 1.883 4.924 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.137 -1.617 3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.106 0.860 7.036 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.396 -3.604 4.990 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.373 -1.122 8.457 1.00 0.00 H new ATOM 0 HH TYR A 13 10.578 -3.320 8.546 1.00 0.00 H new ATOM 148 N ILE A 14 6.684 -0.321 4.241 1.00 0.00 N ATOM 149 CA ILE A 14 5.607 -0.820 5.086 1.00 0.00 C ATOM 150 C ILE A 14 6.158 -1.478 6.347 1.00 0.00 C ATOM 151 O ILE A 14 6.966 -2.405 6.275 1.00 0.00 O ATOM 152 CB ILE A 14 4.725 -1.835 4.335 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.223 -1.232 3.021 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.556 -2.268 5.206 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.916 -2.265 1.960 1.00 0.00 C ATOM 0 H ILE A 14 6.764 -0.790 3.339 1.00 0.00 H new ATOM 0 HA ILE A 14 4.999 0.041 5.363 1.00 0.00 H new ATOM 0 HB ILE A 14 5.325 -2.715 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.324 -0.648 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.974 -0.541 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.942 -2.985 4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.933 -2.732 6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.953 -1.398 5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.565 -1.766 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.818 -2.833 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.143 -2.942 2.324 1.00 0.00 H new ATOM 167 N THR A 15 5.714 -0.994 7.503 1.00 0.00 N ATOM 168 CA THR A 15 6.162 -1.535 8.780 1.00 0.00 C ATOM 169 C THR A 15 4.983 -2.027 9.612 1.00 0.00 C ATOM 170 O THR A 15 5.162 -2.551 10.711 1.00 0.00 O ATOM 171 CB THR A 15 6.945 -0.485 9.591 1.00 0.00 C ATOM 172 OG1 THR A 15 6.048 0.264 10.419 1.00 0.00 O ATOM 173 CG2 THR A 15 7.699 0.460 8.668 1.00 0.00 C ATOM 0 H THR A 15 5.045 -0.228 7.581 1.00 0.00 H new ATOM 0 HA THR A 15 6.820 -2.374 8.555 1.00 0.00 H new ATOM 0 HB THR A 15 7.667 -1.008 10.218 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.554 0.928 10.932 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.244 1.192 9.264 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.402 -0.109 8.060 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.992 0.975 8.018 1.00 0.00 H new ATOM 181 N PHE A 16 3.777 -1.855 9.080 1.00 0.00 N ATOM 182 CA PHE A 16 2.567 -2.282 9.775 1.00 0.00 C ATOM 183 C PHE A 16 1.534 -2.818 8.788 1.00 0.00 C ATOM 184 O PHE A 16 1.102 -2.110 7.877 1.00 0.00 O ATOM 185 CB PHE A 16 1.974 -1.119 10.571 1.00 0.00 C ATOM 186 CG PHE A 16 1.135 -1.557 11.738 1.00 0.00 C ATOM 187 CD1 PHE A 16 -0.133 -2.079 11.539 1.00 0.00 C ATOM 188 CD2 PHE A 16 1.615 -1.448 13.033 1.00 0.00 C ATOM 189 CE1 PHE A 16 -0.907 -2.482 12.611 1.00 0.00 C ATOM 190 CE2 PHE A 16 0.846 -1.850 14.109 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.416 -2.369 13.897 1.00 0.00 C ATOM 0 H PHE A 16 3.611 -1.423 8.171 1.00 0.00 H new ATOM 0 HA PHE A 16 2.836 -3.084 10.463 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.784 -0.487 10.934 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.365 -0.507 9.906 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.521 -2.172 10.535 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.602 -1.044 13.204 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.895 -2.885 12.443 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.231 -1.758 15.114 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.018 -2.686 14.736 1.00 0.00 H new ATOM 201 N THR A 17 1.142 -4.074 8.974 1.00 0.00 N ATOM 202 CA THR A 17 0.161 -4.706 8.101 1.00 0.00 C ATOM 203 C THR A 17 -0.810 -5.569 8.898 1.00 0.00 C ATOM 204 O THR A 17 -0.423 -6.584 9.477 1.00 0.00 O ATOM 205 CB THR A 17 0.843 -5.578 7.029 1.00 0.00 C ATOM 206 OG1 THR A 17 2.043 -6.153 7.556 1.00 0.00 O ATOM 207 CG2 THR A 17 1.170 -4.756 5.791 1.00 0.00 C ATOM 0 H THR A 17 1.489 -4.674 9.722 1.00 0.00 H new ATOM 0 HA THR A 17 -0.389 -3.903 7.611 1.00 0.00 H new ATOM 0 HB THR A 17 0.153 -6.373 6.746 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.209 -7.017 7.124 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.651 -5.393 5.048 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.251 -4.343 5.375 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.843 -3.942 6.062 1.00 0.00 H new ATOM 215 N ASP A 18 -2.074 -5.159 8.924 1.00 0.00 N ATOM 216 CA ASP A 18 -3.102 -5.896 9.650 1.00 0.00 C ATOM 217 C ASP A 18 -4.423 -5.880 8.887 1.00 0.00 C ATOM 218 O ASP A 18 -4.664 -4.997 8.064 1.00 0.00 O ATOM 219 CB ASP A 18 -3.297 -5.301 11.045 1.00 0.00 C ATOM 220 CG ASP A 18 -3.980 -6.265 11.995 1.00 0.00 C ATOM 221 OD1 ASP A 18 -3.385 -7.319 12.299 1.00 0.00 O ATOM 222 OD2 ASP A 18 -5.110 -5.964 12.434 1.00 0.00 O ATOM 0 H ASP A 18 -2.411 -4.321 8.451 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.772 -6.930 9.748 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.328 -5.017 11.455 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.890 -4.389 10.968 1.00 0.00 H new ATOM 227 N ALA A 19 -5.274 -6.861 9.166 1.00 0.00 N ATOM 228 CA ALA A 19 -6.570 -6.959 8.507 1.00 0.00 C ATOM 229 C ALA A 19 -7.673 -6.365 9.376 1.00 0.00 C ATOM 230 O ALA A 19 -8.018 -6.915 10.422 1.00 0.00 O ATOM 231 CB ALA A 19 -6.883 -8.410 8.172 1.00 0.00 C ATOM 0 H ALA A 19 -5.089 -7.600 9.845 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.524 -6.386 7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.854 -8.469 7.680 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.115 -8.804 7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.905 -8.999 9.089 1.00 0.00 H new ATOM 237 N VAL A 20 -8.224 -5.237 8.936 1.00 0.00 N ATOM 238 CA VAL A 20 -9.289 -4.568 9.673 1.00 0.00 C ATOM 239 C VAL A 20 -10.602 -5.334 9.558 1.00 0.00 C ATOM 240 O VAL A 20 -11.439 -5.289 10.458 1.00 0.00 O ATOM 241 CB VAL A 20 -9.501 -3.128 9.170 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.500 -2.395 10.052 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.176 -2.382 9.116 1.00 0.00 C ATOM 0 H VAL A 20 -7.950 -4.768 8.073 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.980 -4.538 10.718 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.909 -3.171 8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.637 -1.379 9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.455 -2.920 10.033 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.125 -2.360 11.075 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.345 -1.366 8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.737 -2.347 10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.496 -2.897 8.438 1.00 0.00 H new ATOM 253 N ASN A 21 -10.775 -6.038 8.444 1.00 0.00 N ATOM 254 CA ASN A 21 -11.987 -6.814 8.210 1.00 0.00 C ATOM 255 C ASN A 21 -11.744 -7.902 7.168 1.00 0.00 C ATOM 256 O ASN A 21 -10.623 -8.079 6.692 1.00 0.00 O ATOM 257 CB ASN A 21 -13.124 -5.898 7.752 1.00 0.00 C ATOM 258 CG ASN A 21 -13.874 -5.282 8.917 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.821 -5.784 10.040 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.580 -4.189 8.654 1.00 0.00 N ATOM 0 H ASN A 21 -10.091 -6.087 7.689 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.270 -7.291 9.148 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.718 -5.105 7.125 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.820 -6.467 7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.107 -3.731 9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.596 -3.807 7.708 1.00 0.00 H new ATOM 267 N GLU A 22 -12.802 -8.626 6.819 1.00 0.00 N ATOM 268 CA GLU A 22 -12.703 -9.696 5.833 1.00 0.00 C ATOM 269 C GLU A 22 -12.486 -9.128 4.434 1.00 0.00 C ATOM 270 O GLU A 22 -11.954 -9.804 3.552 1.00 0.00 O ATOM 271 CB GLU A 22 -13.967 -10.559 5.855 1.00 0.00 C ATOM 272 CG GLU A 22 -15.177 -9.881 5.236 1.00 0.00 C ATOM 273 CD GLU A 22 -15.957 -9.051 6.237 1.00 0.00 C ATOM 274 OE1 GLU A 22 -16.262 -9.572 7.331 1.00 0.00 O ATOM 275 OE2 GLU A 22 -16.262 -7.881 5.927 1.00 0.00 O ATOM 0 H GLU A 22 -13.737 -8.492 7.204 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.844 -10.316 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.771 -11.490 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.198 -10.824 6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.850 -9.242 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.834 -10.638 4.808 1.00 0.00 H new ATOM 282 N THR A 23 -12.902 -7.881 4.236 1.00 0.00 N ATOM 283 CA THR A 23 -12.756 -7.222 2.944 1.00 0.00 C ATOM 284 C THR A 23 -11.984 -5.915 3.079 1.00 0.00 C ATOM 285 O THR A 23 -11.847 -5.160 2.116 1.00 0.00 O ATOM 286 CB THR A 23 -14.126 -6.933 2.303 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.010 -6.362 3.273 1.00 0.00 O ATOM 288 CG2 THR A 23 -14.738 -8.205 1.738 1.00 0.00 C ATOM 0 H THR A 23 -13.343 -7.307 4.955 1.00 0.00 H new ATOM 0 HA THR A 23 -12.200 -7.905 2.301 1.00 0.00 H new ATOM 0 HB THR A 23 -13.978 -6.226 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.878 -6.180 2.857 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.705 -7.976 1.291 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.076 -8.621 0.978 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.872 -8.931 2.540 1.00 0.00 H new ATOM 296 N THR A 24 -11.479 -5.652 4.280 1.00 0.00 N ATOM 297 CA THR A 24 -10.720 -4.435 4.541 1.00 0.00 C ATOM 298 C THR A 24 -9.379 -4.752 5.193 1.00 0.00 C ATOM 299 O THR A 24 -9.264 -5.702 5.967 1.00 0.00 O ATOM 300 CB THR A 24 -11.504 -3.468 5.448 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.898 -3.511 5.122 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.987 -2.045 5.298 1.00 0.00 C ATOM 0 H THR A 24 -11.582 -6.266 5.088 1.00 0.00 H new ATOM 0 HA THR A 24 -10.547 -3.957 3.577 1.00 0.00 H new ATOM 0 HB THR A 24 -11.363 -3.782 6.482 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.389 -2.895 5.704 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.556 -1.381 5.948 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.934 -2.009 5.576 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.100 -1.724 4.263 1.00 0.00 H new ATOM 310 N ILE A 25 -8.368 -3.950 4.876 1.00 0.00 N ATOM 311 CA ILE A 25 -7.036 -4.145 5.433 1.00 0.00 C ATOM 312 C ILE A 25 -6.356 -2.808 5.712 1.00 0.00 C ATOM 313 O ILE A 25 -6.410 -1.891 4.894 1.00 0.00 O ATOM 314 CB ILE A 25 -6.146 -4.973 4.488 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.555 -6.447 4.529 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.681 -4.814 4.865 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.657 -7.347 3.709 1.00 0.00 C ATOM 0 H ILE A 25 -8.446 -3.159 4.236 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.162 -4.689 6.369 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.281 -4.605 3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.550 -6.788 5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.579 -6.542 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.065 -5.405 4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.398 -3.764 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.529 -5.158 5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.007 -8.377 3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.680 -7.032 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.636 -7.282 4.085 1.00 0.00 H new ATOM 329 N MET A 26 -5.714 -2.708 6.871 1.00 0.00 N ATOM 330 CA MET A 26 -5.020 -1.484 7.257 1.00 0.00 C ATOM 331 C MET A 26 -3.509 -1.685 7.229 1.00 0.00 C ATOM 332 O MET A 26 -2.992 -2.667 7.765 1.00 0.00 O ATOM 333 CB MET A 26 -5.462 -1.040 8.652 1.00 0.00 C ATOM 334 CG MET A 26 -4.405 -0.242 9.399 1.00 0.00 C ATOM 335 SD MET A 26 -5.114 0.869 10.630 1.00 0.00 S ATOM 336 CE MET A 26 -4.695 2.463 9.928 1.00 0.00 C ATOM 0 H MET A 26 -5.660 -3.459 7.559 1.00 0.00 H new ATOM 0 HA MET A 26 -5.279 -0.707 6.538 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.366 -0.437 8.563 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.723 -1.921 9.239 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.716 -0.929 9.890 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.821 0.339 8.685 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.477 3.183 10.168 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.747 2.805 10.343 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.605 2.372 8.846 1.00 0.00 H new ATOM 346 N LEU A 27 -2.804 -0.750 6.602 1.00 0.00 N ATOM 347 CA LEU A 27 -1.350 -0.824 6.504 1.00 0.00 C ATOM 348 C LEU A 27 -0.719 0.548 6.719 1.00 0.00 C ATOM 349 O LEU A 27 -1.300 1.573 6.364 1.00 0.00 O ATOM 350 CB LEU A 27 -0.939 -1.379 5.139 1.00 0.00 C ATOM 351 CG LEU A 27 -0.862 -0.365 3.998 1.00 0.00 C ATOM 352 CD1 LEU A 27 0.066 -0.863 2.902 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.250 -0.087 3.438 1.00 0.00 C ATOM 0 H LEU A 27 -3.215 0.069 6.154 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.991 -1.494 7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.036 -1.855 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.647 -2.159 4.858 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.457 0.567 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.108 -0.128 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.066 -1.011 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.309 -1.808 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.177 0.637 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.682 -1.013 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.887 0.315 4.226 1.00 0.00 H new ATOM 365 N LYS A 28 0.476 0.559 7.301 1.00 0.00 N ATOM 366 CA LYS A 28 1.189 1.804 7.561 1.00 0.00 C ATOM 367 C LYS A 28 2.591 1.763 6.961 1.00 0.00 C ATOM 368 O LYS A 28 3.246 0.721 6.962 1.00 0.00 O ATOM 369 CB LYS A 28 1.275 2.061 9.067 1.00 0.00 C ATOM 370 CG LYS A 28 -0.062 1.954 9.780 1.00 0.00 C ATOM 371 CD LYS A 28 0.118 1.718 11.270 1.00 0.00 C ATOM 372 CE LYS A 28 -1.215 1.739 12.003 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.924 0.433 11.901 1.00 0.00 N ATOM 0 H LYS A 28 0.971 -0.281 7.602 1.00 0.00 H new ATOM 0 HA LYS A 28 0.635 2.616 7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.971 1.348 9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.688 3.056 9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.634 2.868 9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.641 1.137 9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.608 0.758 11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.774 2.484 11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.049 1.981 13.053 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.844 2.527 11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.709 0.410 12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.299 0.316 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.260 -0.340 12.110 1.00 0.00 H new ATOM 387 N TRP A 29 3.044 2.902 6.451 1.00 0.00 N ATOM 388 CA TRP A 29 4.369 2.996 5.849 1.00 0.00 C ATOM 389 C TRP A 29 5.210 4.059 6.548 1.00 0.00 C ATOM 390 O TRP A 29 4.676 4.961 7.193 1.00 0.00 O ATOM 391 CB TRP A 29 4.253 3.319 4.358 1.00 0.00 C ATOM 392 CG TRP A 29 3.402 4.520 4.075 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.803 5.826 4.075 1.00 0.00 C ATOM 394 CD2 TRP A 29 2.007 4.526 3.753 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.740 6.643 3.772 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.628 5.870 3.569 1.00 0.00 C ATOM 397 CE3 TRP A 29 1.043 3.526 3.599 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.325 6.237 3.241 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.250 3.892 3.275 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.599 5.238 3.098 1.00 0.00 C ATOM 0 H TRP A 29 2.514 3.773 6.442 1.00 0.00 H new ATOM 0 HA TRP A 29 4.864 2.032 5.967 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.250 3.485 3.951 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.836 2.456 3.838 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.807 6.166 4.282 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.774 7.660 3.709 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.303 2.486 3.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.054 7.273 3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.004 3.128 3.156 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.618 5.492 2.844 1.00 0.00 H new ATOM 411 N MET A 30 6.528 3.946 6.414 1.00 0.00 N ATOM 412 CA MET A 30 7.442 4.900 7.033 1.00 0.00 C ATOM 413 C MET A 30 8.285 5.608 5.977 1.00 0.00 C ATOM 414 O MET A 30 8.491 5.086 4.881 1.00 0.00 O ATOM 415 CB MET A 30 8.352 4.189 8.036 1.00 0.00 C ATOM 416 CG MET A 30 9.587 3.568 7.403 1.00 0.00 C ATOM 417 SD MET A 30 10.701 2.841 8.620 1.00 0.00 S ATOM 418 CE MET A 30 11.291 4.310 9.458 1.00 0.00 C ATOM 0 H MET A 30 6.986 3.205 5.884 1.00 0.00 H new ATOM 0 HA MET A 30 6.847 5.647 7.559 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.664 4.902 8.799 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.782 3.410 8.542 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.279 2.800 6.693 1.00 0.00 H new ATOM 0 HG3 MET A 30 10.122 4.330 6.836 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.214 4.079 9.991 1.00 0.00 H new ATOM 0 HE2 MET A 30 11.481 5.095 8.726 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.538 4.651 10.168 1.00 0.00 H new ATOM 428 N TYR A 31 8.769 6.798 6.313 1.00 0.00 N ATOM 429 CA TYR A 31 9.587 7.578 5.393 1.00 0.00 C ATOM 430 C TYR A 31 10.938 7.917 6.017 1.00 0.00 C ATOM 431 O TYR A 31 11.009 8.383 7.154 1.00 0.00 O ATOM 432 CB TYR A 31 8.860 8.864 4.996 1.00 0.00 C ATOM 433 CG TYR A 31 9.495 9.583 3.827 1.00 0.00 C ATOM 434 CD1 TYR A 31 9.140 9.272 2.520 1.00 0.00 C ATOM 435 CD2 TYR A 31 10.450 10.571 4.028 1.00 0.00 C ATOM 436 CE1 TYR A 31 9.718 9.925 1.448 1.00 0.00 C ATOM 437 CE2 TYR A 31 11.031 11.231 2.963 1.00 0.00 C ATOM 438 CZ TYR A 31 10.662 10.904 1.675 1.00 0.00 C ATOM 439 OH TYR A 31 11.241 11.557 0.611 1.00 0.00 O ATOM 0 H TYR A 31 8.609 7.244 7.216 1.00 0.00 H new ATOM 0 HA TYR A 31 9.760 6.975 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.826 8.625 4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.833 9.536 5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.400 8.507 2.339 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.744 10.828 5.035 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.432 9.670 0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.770 11.999 3.138 1.00 0.00 H new ATOM 0 HH TYR A 31 11.821 10.936 0.123 1.00 0.00 H new ATOM 449 N ILE A 32 12.006 7.679 5.264 1.00 0.00 N ATOM 450 CA ILE A 32 13.354 7.960 5.741 1.00 0.00 C ATOM 451 C ILE A 32 13.948 9.171 5.030 1.00 0.00 C ATOM 452 O ILE A 32 14.188 9.157 3.822 1.00 0.00 O ATOM 453 CB ILE A 32 14.287 6.751 5.538 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.736 5.526 6.272 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.691 7.078 6.022 1.00 0.00 C ATOM 456 CD1 ILE A 32 12.713 4.752 5.471 1.00 0.00 C ATOM 0 H ILE A 32 11.964 7.292 4.321 1.00 0.00 H new ATOM 0 HA ILE A 32 13.273 8.171 6.807 1.00 0.00 H new ATOM 0 HB ILE A 32 14.335 6.522 4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.563 4.863 6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.284 5.848 7.210 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.338 6.214 5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.082 7.926 5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.661 7.329 7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.366 3.898 6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.868 5.400 5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.167 4.400 4.545 1.00 0.00 H new ATOM 468 N PRO A 33 14.194 10.245 5.795 1.00 0.00 N ATOM 469 CA PRO A 33 14.766 11.484 5.259 1.00 0.00 C ATOM 470 C PRO A 33 16.226 11.319 4.850 1.00 0.00 C ATOM 471 O PRO A 33 16.698 11.977 3.924 1.00 0.00 O ATOM 472 CB PRO A 33 14.646 12.464 6.429 1.00 0.00 C ATOM 473 CG PRO A 33 14.628 11.603 7.644 1.00 0.00 C ATOM 474 CD PRO A 33 13.934 10.332 7.241 1.00 0.00 C ATOM 0 HA PRO A 33 14.253 11.813 4.355 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.484 13.160 6.450 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.737 13.061 6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.640 11.401 7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.100 12.093 8.462 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.334 9.469 7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.866 10.372 7.456 1.00 0.00 H new ATOM 482 N ALA A 34 16.935 10.437 5.546 1.00 0.00 N ATOM 483 CA ALA A 34 18.340 10.184 5.253 1.00 0.00 C ATOM 484 C ALA A 34 18.576 10.072 3.751 1.00 0.00 C ATOM 485 O ALA A 34 19.206 10.939 3.145 1.00 0.00 O ATOM 486 CB ALA A 34 18.808 8.919 5.959 1.00 0.00 C ATOM 0 H ALA A 34 16.559 9.885 6.317 1.00 0.00 H new ATOM 0 HA ALA A 34 18.920 11.029 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.859 8.743 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.685 9.037 7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.215 8.071 5.617 1.00 0.00 H new ATOM 492 N SER A 35 18.067 8.999 3.155 1.00 0.00 N ATOM 493 CA SER A 35 18.226 8.771 1.723 1.00 0.00 C ATOM 494 C SER A 35 17.103 9.443 0.938 1.00 0.00 C ATOM 495 O SER A 35 16.517 8.844 0.038 1.00 0.00 O ATOM 496 CB SER A 35 18.247 7.271 1.423 1.00 0.00 C ATOM 497 OG SER A 35 18.425 7.030 0.038 1.00 0.00 O ATOM 0 H SER A 35 17.541 8.273 3.641 1.00 0.00 H new ATOM 0 HA SER A 35 19.175 9.209 1.413 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.052 6.796 1.984 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.314 6.817 1.757 1.00 0.00 H new ATOM 0 HG SER A 35 17.743 7.517 -0.469 1.00 0.00 H new ATOM 503 N ASN A 36 16.810 10.691 1.288 1.00 0.00 N ATOM 504 CA ASN A 36 15.758 11.445 0.617 1.00 0.00 C ATOM 505 C ASN A 36 16.325 12.695 -0.049 1.00 0.00 C ATOM 506 O ASN A 36 17.310 13.266 0.416 1.00 0.00 O ATOM 507 CB ASN A 36 14.666 11.836 1.615 1.00 0.00 C ATOM 508 CG ASN A 36 13.567 12.663 0.976 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.314 12.558 -0.224 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.907 13.491 1.777 1.00 0.00 N ATOM 0 H ASN A 36 17.286 11.201 2.032 1.00 0.00 H new ATOM 0 HA ASN A 36 15.325 10.808 -0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.233 10.934 2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.112 12.400 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.157 14.072 1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.150 13.546 2.766 1.00 0.00 H new ATOM 517 N ASN A 37 15.694 13.115 -1.141 1.00 0.00 N ATOM 518 CA ASN A 37 16.135 14.298 -1.872 1.00 0.00 C ATOM 519 C ASN A 37 15.402 15.543 -1.384 1.00 0.00 C ATOM 520 O ASN A 37 15.158 16.473 -2.152 1.00 0.00 O ATOM 521 CB ASN A 37 15.904 14.111 -3.373 1.00 0.00 C ATOM 522 CG ASN A 37 16.861 14.935 -4.212 1.00 0.00 C ATOM 523 OD1 ASN A 37 17.568 15.801 -3.697 1.00 0.00 O ATOM 524 ND2 ASN A 37 16.887 14.668 -5.513 1.00 0.00 N ATOM 0 H ASN A 37 14.876 12.654 -1.539 1.00 0.00 H new ATOM 0 HA ASN A 37 17.201 14.431 -1.689 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.018 13.057 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.879 14.389 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.511 15.190 -6.128 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.283 13.941 -5.897 1.00 0.00 H new ATOM 531 N ASN A 38 15.053 15.554 -0.102 1.00 0.00 N ATOM 532 CA ASN A 38 14.347 16.685 0.489 1.00 0.00 C ATOM 533 C ASN A 38 13.330 17.263 -0.489 1.00 0.00 C ATOM 534 O ASN A 38 13.186 18.481 -0.607 1.00 0.00 O ATOM 535 CB ASN A 38 15.341 17.770 0.909 1.00 0.00 C ATOM 536 CG ASN A 38 16.469 17.222 1.762 1.00 0.00 C ATOM 537 OD1 ASN A 38 16.357 16.140 2.338 1.00 0.00 O ATOM 538 ND2 ASN A 38 17.564 17.970 1.845 1.00 0.00 N ATOM 0 H ASN A 38 15.248 14.792 0.548 1.00 0.00 H new ATOM 0 HA ASN A 38 13.814 16.328 1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.758 18.241 0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.814 18.547 1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.357 17.654 2.404 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.612 18.861 1.350 1.00 0.00 H new ATOM 545 N THR A 39 12.623 16.381 -1.190 1.00 0.00 N ATOM 546 CA THR A 39 11.619 16.802 -2.159 1.00 0.00 C ATOM 547 C THR A 39 10.211 16.518 -1.650 1.00 0.00 C ATOM 548 O THR A 39 9.943 15.484 -1.037 1.00 0.00 O ATOM 549 CB THR A 39 11.816 16.097 -3.514 1.00 0.00 C ATOM 550 OG1 THR A 39 11.108 16.802 -4.540 1.00 0.00 O ATOM 551 CG2 THR A 39 11.327 14.658 -3.451 1.00 0.00 C ATOM 0 H THR A 39 12.728 15.370 -1.104 1.00 0.00 H new ATOM 0 HA THR A 39 11.742 17.876 -2.296 1.00 0.00 H new ATOM 0 HB THR A 39 12.881 16.092 -3.745 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.549 17.661 -4.711 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.476 14.180 -4.419 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.887 14.116 -2.689 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.266 14.645 -3.200 1.00 0.00 H new ATOM 559 N PRO A 40 9.287 17.455 -1.909 1.00 0.00 N ATOM 560 CA PRO A 40 7.889 17.326 -1.487 1.00 0.00 C ATOM 561 C PRO A 40 7.147 16.241 -2.260 1.00 0.00 C ATOM 562 O PRO A 40 7.262 16.149 -3.482 1.00 0.00 O ATOM 563 CB PRO A 40 7.296 18.703 -1.796 1.00 0.00 C ATOM 564 CG PRO A 40 8.153 19.247 -2.887 1.00 0.00 C ATOM 565 CD PRO A 40 9.535 18.712 -2.635 1.00 0.00 C ATOM 0 HA PRO A 40 7.805 17.036 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.256 18.625 -2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.315 19.349 -0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.786 18.934 -3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.149 20.337 -2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.075 18.539 -3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.133 19.406 -2.044 1.00 0.00 H new ATOM 573 N ILE A 41 6.388 15.422 -1.540 1.00 0.00 N ATOM 574 CA ILE A 41 5.626 14.345 -2.160 1.00 0.00 C ATOM 575 C ILE A 41 4.175 14.756 -2.386 1.00 0.00 C ATOM 576 O ILE A 41 3.547 15.360 -1.515 1.00 0.00 O ATOM 577 CB ILE A 41 5.658 13.067 -1.301 1.00 0.00 C ATOM 578 CG1 ILE A 41 7.091 12.754 -0.866 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.065 11.896 -2.071 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.208 11.500 -0.028 1.00 0.00 C ATOM 0 H ILE A 41 6.284 15.484 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 41 6.096 14.139 -3.122 1.00 0.00 H new ATOM 0 HB ILE A 41 5.055 13.232 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.716 12.648 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.482 13.598 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.095 11.000 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.032 12.120 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.643 11.728 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.251 11.340 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.610 11.610 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.847 10.645 -0.600 1.00 0.00 H new ATOM 592 N HIS A 42 3.647 14.423 -3.559 1.00 0.00 N ATOM 593 CA HIS A 42 2.268 14.755 -3.899 1.00 0.00 C ATOM 594 C HIS A 42 1.290 13.971 -3.030 1.00 0.00 C ATOM 595 O HIS A 42 0.297 14.515 -2.549 1.00 0.00 O ATOM 596 CB HIS A 42 2.001 14.466 -5.376 1.00 0.00 C ATOM 597 CG HIS A 42 2.352 15.606 -6.283 1.00 0.00 C ATOM 598 ND1 HIS A 42 2.645 15.441 -7.620 1.00 0.00 N ATOM 599 CD2 HIS A 42 2.453 16.933 -6.038 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.914 16.618 -8.158 1.00 0.00 C ATOM 601 NE2 HIS A 42 2.803 17.540 -7.218 1.00 0.00 N ATOM 0 H HIS A 42 4.153 13.923 -4.290 1.00 0.00 H new ATOM 0 HA HIS A 42 2.120 15.819 -3.712 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.571 13.586 -5.674 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.947 14.221 -5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.289 17.423 -5.090 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.179 16.796 -9.190 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.953 18.540 -7.348 1.00 0.00 H new ATOM 610 N GLY A 43 1.578 12.687 -2.834 1.00 0.00 N ATOM 611 CA GLY A 43 0.714 11.849 -2.023 1.00 0.00 C ATOM 612 C GLY A 43 1.300 10.472 -1.785 1.00 0.00 C ATOM 613 O GLY A 43 2.514 10.322 -1.640 1.00 0.00 O ATOM 0 H GLY A 43 2.394 12.213 -3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.537 12.336 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.254 11.749 -2.513 1.00 0.00 H new ATOM 617 N PHE A 44 0.437 9.462 -1.743 1.00 0.00 N ATOM 618 CA PHE A 44 0.876 8.090 -1.517 1.00 0.00 C ATOM 619 C PHE A 44 -0.044 7.101 -2.227 1.00 0.00 C ATOM 620 O PHE A 44 -1.247 7.058 -1.967 1.00 0.00 O ATOM 621 CB PHE A 44 0.914 7.783 -0.019 1.00 0.00 C ATOM 622 CG PHE A 44 2.126 8.334 0.675 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.399 7.955 0.279 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.994 9.230 1.724 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.517 8.460 0.917 1.00 0.00 C ATOM 626 CE2 PHE A 44 3.108 9.739 2.365 1.00 0.00 C ATOM 627 CZ PHE A 44 4.371 9.353 1.960 1.00 0.00 C ATOM 0 H PHE A 44 -0.570 9.568 -1.863 1.00 0.00 H new ATOM 0 HA PHE A 44 1.880 7.985 -1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.019 8.192 0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.883 6.703 0.123 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.519 7.258 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.009 9.534 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.504 8.156 0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.991 10.437 3.181 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.243 9.749 2.459 1.00 0.00 H new ATOM 637 N TYR A 45 0.530 6.308 -3.125 1.00 0.00 N ATOM 638 CA TYR A 45 -0.238 5.321 -3.875 1.00 0.00 C ATOM 639 C TYR A 45 -0.085 3.932 -3.264 1.00 0.00 C ATOM 640 O TYR A 45 0.979 3.581 -2.752 1.00 0.00 O ATOM 641 CB TYR A 45 0.211 5.300 -5.338 1.00 0.00 C ATOM 642 CG TYR A 45 -0.462 6.349 -6.193 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.842 6.513 -6.170 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.282 7.177 -7.024 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.461 7.470 -6.951 1.00 0.00 C ATOM 646 CE2 TYR A 45 -0.329 8.138 -7.807 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.700 8.280 -7.768 1.00 0.00 C ATOM 648 OH TYR A 45 -2.313 9.235 -8.546 1.00 0.00 O ATOM 0 H TYR A 45 1.524 6.329 -3.351 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.290 5.604 -3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.290 5.447 -5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.007 4.315 -5.758 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.441 5.881 -5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.356 7.068 -7.059 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.535 7.583 -6.922 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.264 8.775 -8.446 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.636 9.721 -9.062 1.00 0.00 H new ATOM 658 N ILE A 46 -1.154 3.146 -3.323 1.00 0.00 N ATOM 659 CA ILE A 46 -1.139 1.795 -2.777 1.00 0.00 C ATOM 660 C ILE A 46 -1.711 0.792 -3.774 1.00 0.00 C ATOM 661 O ILE A 46 -2.854 0.922 -4.213 1.00 0.00 O ATOM 662 CB ILE A 46 -1.939 1.709 -1.463 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.391 2.706 -0.441 1.00 0.00 C ATOM 664 CG2 ILE A 46 -1.894 0.293 -0.907 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.437 3.221 0.522 1.00 0.00 C ATOM 0 H ILE A 46 -2.042 3.421 -3.743 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.097 1.549 -2.575 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.978 1.964 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.590 2.230 0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.949 3.550 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.464 0.248 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.327 -0.396 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.859 0.012 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.977 3.923 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.227 3.726 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.862 2.386 1.078 1.00 0.00 H new ATOM 677 N TYR A 47 -0.910 -0.207 -4.125 1.00 0.00 N ATOM 678 CA TYR A 47 -1.336 -1.232 -5.071 1.00 0.00 C ATOM 679 C TYR A 47 -1.641 -2.543 -4.353 1.00 0.00 C ATOM 680 O TYR A 47 -0.983 -2.895 -3.373 1.00 0.00 O ATOM 681 CB TYR A 47 -0.258 -1.457 -6.132 1.00 0.00 C ATOM 682 CG TYR A 47 0.034 -0.232 -6.968 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.563 0.917 -6.393 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.220 -0.223 -8.335 1.00 0.00 C ATOM 685 CE1 TYR A 47 0.829 2.039 -7.154 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.046 0.894 -9.103 1.00 0.00 C ATOM 687 CZ TYR A 47 0.569 2.022 -8.508 1.00 0.00 C ATOM 688 OH TYR A 47 0.835 3.137 -9.270 1.00 0.00 O ATOM 0 H TYR A 47 0.038 -0.329 -3.769 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.247 -0.885 -5.558 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.661 -1.779 -5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.571 -2.269 -6.789 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.770 0.933 -5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.632 -1.104 -8.804 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.238 2.925 -6.691 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.155 0.884 -10.164 1.00 0.00 H new ATOM 0 HH TYR A 47 0.596 2.960 -10.204 1.00 0.00 H new ATOM 698 N TYR A 48 -2.642 -3.262 -4.848 1.00 0.00 N ATOM 699 CA TYR A 48 -3.036 -4.534 -4.254 1.00 0.00 C ATOM 700 C TYR A 48 -3.724 -5.426 -5.283 1.00 0.00 C ATOM 701 O TYR A 48 -4.371 -4.938 -6.210 1.00 0.00 O ATOM 702 CB TYR A 48 -3.967 -4.298 -3.063 1.00 0.00 C ATOM 703 CG TYR A 48 -5.049 -3.277 -3.333 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.790 -1.917 -3.229 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.331 -3.674 -3.695 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.775 -0.981 -3.474 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.322 -2.745 -3.943 1.00 0.00 C ATOM 708 CZ TYR A 48 -7.040 -1.400 -3.831 1.00 0.00 C ATOM 709 OH TYR A 48 -8.024 -0.470 -4.077 1.00 0.00 O ATOM 0 H TYR A 48 -3.195 -2.986 -5.659 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.134 -5.039 -3.907 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.433 -5.243 -2.784 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.375 -3.970 -2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.800 -1.585 -2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.556 -4.727 -3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.556 0.073 -3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.313 -3.070 -4.223 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.620 0.346 -4.438 1.00 0.00 H new ATOM 719 N ARG A 49 -3.580 -6.736 -5.111 1.00 0.00 N ATOM 720 CA ARG A 49 -4.187 -7.697 -6.024 1.00 0.00 C ATOM 721 C ARG A 49 -4.126 -9.108 -5.447 1.00 0.00 C ATOM 722 O ARG A 49 -3.152 -9.501 -4.804 1.00 0.00 O ATOM 723 CB ARG A 49 -3.481 -7.659 -7.381 1.00 0.00 C ATOM 724 CG ARG A 49 -2.092 -8.276 -7.363 1.00 0.00 C ATOM 725 CD ARG A 49 -2.139 -9.762 -7.681 1.00 0.00 C ATOM 726 NE ARG A 49 -1.042 -10.491 -7.050 1.00 0.00 N ATOM 727 CZ ARG A 49 -0.572 -11.648 -7.503 1.00 0.00 C ATOM 728 NH1 ARG A 49 -1.100 -12.204 -8.584 1.00 0.00 N ATOM 729 NH2 ARG A 49 0.428 -12.251 -6.873 1.00 0.00 N ATOM 0 H ARG A 49 -3.049 -7.156 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.233 -7.422 -6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.093 -8.184 -8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.405 -6.623 -7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.457 -7.767 -8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.639 -8.127 -6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.090 -10.175 -7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.095 -9.903 -8.761 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.613 -10.090 -6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.869 -11.743 -9.070 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.737 -13.092 -8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.836 -11.826 -6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.788 -13.139 -7.221 1.00 0.00 H new ATOM 743 N PRO A 50 -5.191 -9.890 -5.681 1.00 0.00 N ATOM 744 CA PRO A 50 -5.283 -11.269 -5.193 1.00 0.00 C ATOM 745 C PRO A 50 -4.316 -12.204 -5.911 1.00 0.00 C ATOM 746 O PRO A 50 -4.110 -12.093 -7.120 1.00 0.00 O ATOM 747 CB PRO A 50 -6.731 -11.658 -5.500 1.00 0.00 C ATOM 748 CG PRO A 50 -7.125 -10.782 -6.639 1.00 0.00 C ATOM 749 CD PRO A 50 -6.387 -9.488 -6.440 1.00 0.00 C ATOM 0 HA PRO A 50 -5.021 -11.346 -4.138 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.810 -12.712 -5.766 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.376 -11.498 -4.636 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.861 -11.239 -7.593 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.203 -10.619 -6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.123 -9.026 -7.391 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.987 -8.764 -5.890 1.00 0.00 H new ATOM 757 N THR A 51 -3.723 -13.127 -5.160 1.00 0.00 N ATOM 758 CA THR A 51 -2.777 -14.081 -5.725 1.00 0.00 C ATOM 759 C THR A 51 -3.401 -14.855 -6.880 1.00 0.00 C ATOM 760 O THR A 51 -2.694 -15.423 -7.713 1.00 0.00 O ATOM 761 CB THR A 51 -2.282 -15.078 -4.661 1.00 0.00 C ATOM 762 OG1 THR A 51 -0.968 -15.539 -4.995 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.228 -16.264 -4.549 1.00 0.00 C ATOM 0 H THR A 51 -3.882 -13.234 -4.158 1.00 0.00 H new ATOM 0 HA THR A 51 -1.929 -13.505 -6.094 1.00 0.00 H new ATOM 0 HB THR A 51 -2.253 -14.565 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.660 -16.171 -4.313 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.858 -16.955 -3.791 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.220 -15.913 -4.266 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.285 -16.776 -5.510 1.00 0.00 H new ATOM 771 N ASP A 52 -4.729 -14.874 -6.925 1.00 0.00 N ATOM 772 CA ASP A 52 -5.448 -15.578 -7.980 1.00 0.00 C ATOM 773 C ASP A 52 -5.319 -14.842 -9.310 1.00 0.00 C ATOM 774 O ASP A 52 -5.485 -15.434 -10.377 1.00 0.00 O ATOM 775 CB ASP A 52 -6.924 -15.727 -7.608 1.00 0.00 C ATOM 776 CG ASP A 52 -7.826 -15.780 -8.825 1.00 0.00 C ATOM 777 OD1 ASP A 52 -7.636 -16.684 -9.665 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.721 -14.916 -8.938 1.00 0.00 O ATOM 0 H ASP A 52 -5.329 -14.410 -6.243 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.006 -16.568 -8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.058 -16.636 -7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.222 -14.891 -6.975 1.00 0.00 H new ATOM 783 N SER A 53 -5.022 -13.549 -9.239 1.00 0.00 N ATOM 784 CA SER A 53 -4.875 -12.731 -10.437 1.00 0.00 C ATOM 785 C SER A 53 -3.919 -13.388 -11.429 1.00 0.00 C ATOM 786 O SER A 53 -3.435 -14.496 -11.200 1.00 0.00 O ATOM 787 CB SER A 53 -4.366 -11.336 -10.069 1.00 0.00 C ATOM 788 OG SER A 53 -5.442 -10.454 -9.803 1.00 0.00 O ATOM 0 H SER A 53 -4.878 -13.045 -8.364 1.00 0.00 H new ATOM 0 HA SER A 53 -5.854 -12.640 -10.907 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.720 -11.401 -9.194 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.760 -10.940 -10.884 1.00 0.00 H new ATOM 0 HG SER A 53 -6.023 -10.400 -10.590 1.00 0.00 H new ATOM 794 N ASP A 54 -3.654 -12.696 -12.531 1.00 0.00 N ATOM 795 CA ASP A 54 -2.756 -13.210 -13.559 1.00 0.00 C ATOM 796 C ASP A 54 -1.441 -12.435 -13.569 1.00 0.00 C ATOM 797 O ASP A 54 -0.363 -13.024 -13.510 1.00 0.00 O ATOM 798 CB ASP A 54 -3.420 -13.129 -14.934 1.00 0.00 C ATOM 799 CG ASP A 54 -2.844 -14.130 -15.916 1.00 0.00 C ATOM 800 OD1 ASP A 54 -2.361 -15.191 -15.467 1.00 0.00 O ATOM 801 OD2 ASP A 54 -2.876 -13.854 -17.133 1.00 0.00 O ATOM 0 H ASP A 54 -4.048 -11.778 -12.736 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.541 -14.254 -13.329 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.491 -13.304 -14.828 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.299 -12.122 -15.334 1.00 0.00 H new ATOM 806 N ASN A 55 -1.541 -11.112 -13.647 1.00 0.00 N ATOM 807 CA ASN A 55 -0.360 -10.257 -13.667 1.00 0.00 C ATOM 808 C ASN A 55 -0.657 -8.903 -13.030 1.00 0.00 C ATOM 809 O ASN A 55 -1.753 -8.675 -12.516 1.00 0.00 O ATOM 810 CB ASN A 55 0.129 -10.061 -15.103 1.00 0.00 C ATOM 811 CG ASN A 55 0.144 -11.357 -15.891 1.00 0.00 C ATOM 812 OD1 ASN A 55 1.006 -12.212 -15.686 1.00 0.00 O ATOM 813 ND2 ASN A 55 -0.813 -11.508 -16.799 1.00 0.00 N ATOM 0 H ASN A 55 -2.427 -10.609 -13.697 1.00 0.00 H new ATOM 0 HA ASN A 55 0.422 -10.747 -13.087 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.514 -9.340 -15.608 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.133 -9.637 -15.087 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.854 -12.359 -17.360 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.507 -10.773 -16.935 1.00 0.00 H new ATOM 820 N ASP A 56 0.324 -8.009 -13.069 1.00 0.00 N ATOM 821 CA ASP A 56 0.167 -6.676 -12.497 1.00 0.00 C ATOM 822 C ASP A 56 -1.026 -5.956 -13.117 1.00 0.00 C ATOM 823 O ASP A 56 -1.473 -4.926 -12.612 1.00 0.00 O ATOM 824 CB ASP A 56 1.440 -5.855 -12.707 1.00 0.00 C ATOM 825 CG ASP A 56 2.672 -6.544 -12.155 1.00 0.00 C ATOM 826 OD1 ASP A 56 2.814 -6.603 -10.915 1.00 0.00 O ATOM 827 OD2 ASP A 56 3.494 -7.026 -12.962 1.00 0.00 O ATOM 0 H ASP A 56 1.237 -8.182 -13.490 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.013 -6.785 -11.428 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.578 -5.670 -13.772 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.325 -4.883 -12.227 1.00 0.00 H new ATOM 832 N SER A 57 -1.537 -6.505 -14.215 1.00 0.00 N ATOM 833 CA SER A 57 -2.676 -5.912 -14.907 1.00 0.00 C ATOM 834 C SER A 57 -3.852 -5.724 -13.954 1.00 0.00 C ATOM 835 O SER A 57 -4.763 -4.940 -14.222 1.00 0.00 O ATOM 836 CB SER A 57 -3.096 -6.790 -16.087 1.00 0.00 C ATOM 837 OG SER A 57 -4.147 -6.188 -16.822 1.00 0.00 O ATOM 0 H SER A 57 -1.181 -7.359 -14.644 1.00 0.00 H new ATOM 0 HA SER A 57 -2.374 -4.934 -15.281 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.241 -6.959 -16.741 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.416 -7.766 -15.722 1.00 0.00 H new ATOM 0 HG SER A 57 -4.396 -6.768 -17.572 1.00 0.00 H new ATOM 843 N ASP A 58 -3.826 -6.448 -12.841 1.00 0.00 N ATOM 844 CA ASP A 58 -4.889 -6.361 -11.846 1.00 0.00 C ATOM 845 C ASP A 58 -4.545 -5.335 -10.771 1.00 0.00 C ATOM 846 O ASP A 58 -5.413 -4.597 -10.303 1.00 0.00 O ATOM 847 CB ASP A 58 -5.129 -7.729 -11.205 1.00 0.00 C ATOM 848 CG ASP A 58 -5.397 -8.811 -12.232 1.00 0.00 C ATOM 849 OD1 ASP A 58 -4.623 -8.907 -13.207 1.00 0.00 O ATOM 850 OD2 ASP A 58 -6.380 -9.562 -12.061 1.00 0.00 O ATOM 0 H ASP A 58 -3.080 -7.102 -12.605 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.800 -6.040 -12.351 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.259 -8.005 -10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.976 -7.663 -10.522 1.00 0.00 H new ATOM 855 N TYR A 59 -3.275 -5.294 -10.384 1.00 0.00 N ATOM 856 CA TYR A 59 -2.817 -4.361 -9.362 1.00 0.00 C ATOM 857 C TYR A 59 -3.547 -3.026 -9.477 1.00 0.00 C ATOM 858 O TYR A 59 -3.484 -2.356 -10.508 1.00 0.00 O ATOM 859 CB TYR A 59 -1.308 -4.141 -9.481 1.00 0.00 C ATOM 860 CG TYR A 59 -0.490 -5.101 -8.646 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.838 -5.379 -7.330 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.632 -5.728 -9.174 1.00 0.00 C ATOM 863 CE1 TYR A 59 -0.093 -6.254 -6.564 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.382 -6.606 -8.415 1.00 0.00 C ATOM 865 CZ TYR A 59 1.016 -6.865 -7.111 1.00 0.00 C ATOM 866 OH TYR A 59 1.762 -7.738 -6.352 1.00 0.00 O ATOM 0 H TYR A 59 -2.544 -5.896 -10.763 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.038 -4.793 -8.386 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.016 -4.241 -10.526 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.073 -3.120 -9.181 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.706 -4.903 -6.899 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.923 -5.526 -10.194 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.377 -6.459 -5.542 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.250 -7.087 -8.841 1.00 0.00 H new ATOM 0 HH TYR A 59 2.508 -8.082 -6.887 1.00 0.00 H new ATOM 876 N LYS A 60 -4.240 -2.644 -8.409 1.00 0.00 N ATOM 877 CA LYS A 60 -4.981 -1.388 -8.386 1.00 0.00 C ATOM 878 C LYS A 60 -4.111 -0.253 -7.857 1.00 0.00 C ATOM 879 O LYS A 60 -2.921 -0.436 -7.599 1.00 0.00 O ATOM 880 CB LYS A 60 -6.236 -1.529 -7.523 1.00 0.00 C ATOM 881 CG LYS A 60 -7.375 -2.254 -8.219 1.00 0.00 C ATOM 882 CD LYS A 60 -8.463 -2.657 -7.237 1.00 0.00 C ATOM 883 CE LYS A 60 -9.445 -3.635 -7.863 1.00 0.00 C ATOM 884 NZ LYS A 60 -10.373 -4.213 -6.852 1.00 0.00 N ATOM 0 H LYS A 60 -4.304 -3.187 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.276 -1.149 -9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.980 -2.065 -6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.576 -0.537 -7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.800 -1.611 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.990 -3.142 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.009 -3.110 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.997 -1.769 -6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.021 -3.126 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.895 -4.439 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.026 -4.874 -7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.825 -4.720 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.917 -3.449 -6.403 1.00 0.00 H new ATOM 898 N LYS A 61 -4.713 0.921 -7.694 1.00 0.00 N ATOM 899 CA LYS A 61 -3.995 2.086 -7.192 1.00 0.00 C ATOM 900 C LYS A 61 -4.909 2.965 -6.344 1.00 0.00 C ATOM 901 O LYS A 61 -5.963 3.405 -6.803 1.00 0.00 O ATOM 902 CB LYS A 61 -3.425 2.900 -8.356 1.00 0.00 C ATOM 903 CG LYS A 61 -2.312 3.849 -7.947 1.00 0.00 C ATOM 904 CD LYS A 61 -1.795 4.646 -9.133 1.00 0.00 C ATOM 905 CE LYS A 61 -2.869 5.561 -9.701 1.00 0.00 C ATOM 906 NZ LYS A 61 -2.316 6.506 -10.710 1.00 0.00 N ATOM 0 H LYS A 61 -5.697 1.090 -7.903 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.175 1.734 -6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.047 2.216 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.230 3.474 -8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.678 4.532 -7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.493 3.282 -7.504 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.934 5.240 -8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.450 3.963 -9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.654 4.959 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.332 6.125 -8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.075 6.813 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.914 7.334 -10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.571 6.031 -11.259 1.00 0.00 H new ATOM 920 N ASP A 62 -4.499 3.216 -5.106 1.00 0.00 N ATOM 921 CA ASP A 62 -5.279 4.044 -4.194 1.00 0.00 C ATOM 922 C ASP A 62 -4.493 5.282 -3.776 1.00 0.00 C ATOM 923 O ASP A 62 -3.468 5.181 -3.103 1.00 0.00 O ATOM 924 CB ASP A 62 -5.682 3.239 -2.957 1.00 0.00 C ATOM 925 CG ASP A 62 -6.978 2.479 -3.158 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.212 1.992 -4.284 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.759 2.371 -2.189 1.00 0.00 O ATOM 0 H ASP A 62 -3.630 2.857 -4.710 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.179 4.367 -4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.887 2.536 -2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.788 3.913 -2.107 1.00 0.00 H new ATOM 932 N MET A 63 -4.980 6.451 -4.181 1.00 0.00 N ATOM 933 CA MET A 63 -4.323 7.709 -3.848 1.00 0.00 C ATOM 934 C MET A 63 -4.578 8.087 -2.392 1.00 0.00 C ATOM 935 O MET A 63 -5.695 7.956 -1.893 1.00 0.00 O ATOM 936 CB MET A 63 -4.814 8.826 -4.770 1.00 0.00 C ATOM 937 CG MET A 63 -3.793 9.931 -4.985 1.00 0.00 C ATOM 938 SD MET A 63 -4.558 11.524 -5.343 1.00 0.00 S ATOM 939 CE MET A 63 -4.691 12.213 -3.695 1.00 0.00 C ATOM 0 H MET A 63 -5.827 6.553 -4.740 1.00 0.00 H new ATOM 0 HA MET A 63 -3.250 7.577 -3.989 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.082 8.397 -5.736 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.722 9.259 -4.351 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.170 10.023 -4.095 1.00 0.00 H new ATOM 0 HG3 MET A 63 -3.134 9.656 -5.808 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.147 13.201 -3.750 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.309 11.562 -3.077 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.698 12.296 -3.254 1.00 0.00 H new ATOM 949 N VAL A 64 -3.534 8.557 -1.716 1.00 0.00 N ATOM 950 CA VAL A 64 -3.645 8.955 -0.317 1.00 0.00 C ATOM 951 C VAL A 64 -2.926 10.275 -0.063 1.00 0.00 C ATOM 952 O VAL A 64 -1.993 10.633 -0.780 1.00 0.00 O ATOM 953 CB VAL A 64 -3.066 7.878 0.620 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.427 8.180 2.067 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.561 6.498 0.215 1.00 0.00 C ATOM 0 H VAL A 64 -2.602 8.671 -2.114 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.707 9.077 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.980 7.889 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.010 7.409 2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.019 9.151 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.511 8.197 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.142 5.749 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.649 6.470 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.247 6.284 -0.807 1.00 0.00 H new ATOM 965 N GLU A 65 -3.368 10.994 0.964 1.00 0.00 N ATOM 966 CA GLU A 65 -2.766 12.276 1.313 1.00 0.00 C ATOM 967 C GLU A 65 -1.257 12.138 1.492 1.00 0.00 C ATOM 968 O GLU A 65 -0.766 11.099 1.934 1.00 0.00 O ATOM 969 CB GLU A 65 -3.395 12.828 2.594 1.00 0.00 C ATOM 970 CG GLU A 65 -4.852 12.438 2.774 1.00 0.00 C ATOM 971 CD GLU A 65 -5.638 13.467 3.563 1.00 0.00 C ATOM 972 OE1 GLU A 65 -5.531 14.669 3.243 1.00 0.00 O ATOM 973 OE2 GLU A 65 -6.361 13.070 4.501 1.00 0.00 O ATOM 0 H GLU A 65 -4.140 10.711 1.568 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.955 12.972 0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.824 12.472 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.317 13.915 2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.313 12.307 1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.906 11.476 3.283 1.00 0.00 H new ATOM 980 N GLY A 66 -0.527 13.193 1.145 1.00 0.00 N ATOM 981 CA GLY A 66 0.919 13.169 1.274 1.00 0.00 C ATOM 982 C GLY A 66 1.374 13.260 2.717 1.00 0.00 C ATOM 983 O GLY A 66 2.519 12.939 3.035 1.00 0.00 O ATOM 0 H GLY A 66 -0.910 14.064 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.305 12.250 0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.345 13.998 0.709 1.00 0.00 H new ATOM 987 N ASP A 67 0.477 13.701 3.592 1.00 0.00 N ATOM 988 CA ASP A 67 0.792 13.835 5.009 1.00 0.00 C ATOM 989 C ASP A 67 0.300 12.622 5.792 1.00 0.00 C ATOM 990 O ASP A 67 0.529 12.513 6.997 1.00 0.00 O ATOM 991 CB ASP A 67 0.167 15.111 5.575 1.00 0.00 C ATOM 992 CG ASP A 67 0.695 16.362 4.901 1.00 0.00 C ATOM 993 OD1 ASP A 67 1.886 16.682 5.095 1.00 0.00 O ATOM 994 OD2 ASP A 67 -0.084 17.022 4.181 1.00 0.00 O ATOM 0 H ASP A 67 -0.475 13.972 3.344 1.00 0.00 H new ATOM 0 HA ASP A 67 1.876 13.895 5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.915 15.066 5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.367 15.166 6.645 1.00 0.00 H new ATOM 999 N ARG A 68 -0.378 11.712 5.100 1.00 0.00 N ATOM 1000 CA ARG A 68 -0.905 10.508 5.731 1.00 0.00 C ATOM 1001 C ARG A 68 0.063 9.341 5.568 1.00 0.00 C ATOM 1002 O ARG A 68 0.591 9.105 4.481 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.264 10.145 5.130 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.132 9.302 6.050 1.00 0.00 C ATOM 1005 CD ARG A 68 -3.970 10.170 6.976 1.00 0.00 C ATOM 1006 NE ARG A 68 -3.225 10.583 8.162 1.00 0.00 N ATOM 1007 CZ ARG A 68 -3.612 11.564 8.969 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -4.731 12.230 8.718 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -2.881 11.881 10.030 1.00 0.00 N ATOM 0 H ARG A 68 -0.575 11.786 4.102 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.028 10.710 6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.798 11.062 4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.106 9.604 4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.787 8.667 5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.500 8.640 6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.310 11.053 6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.861 9.620 7.281 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.359 10.091 8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.296 11.989 7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.026 12.983 9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.020 11.371 10.227 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.180 12.635 10.649 1.00 0.00 H new ATOM 1023 N TYR A 69 0.293 8.613 6.656 1.00 0.00 N ATOM 1024 CA TYR A 69 1.200 7.472 6.635 1.00 0.00 C ATOM 1025 C TYR A 69 0.444 6.170 6.884 1.00 0.00 C ATOM 1026 O TYR A 69 1.043 5.145 7.208 1.00 0.00 O ATOM 1027 CB TYR A 69 2.298 7.647 7.686 1.00 0.00 C ATOM 1028 CG TYR A 69 3.503 8.408 7.182 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.389 9.316 6.137 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.756 8.219 7.752 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.488 10.013 5.673 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.860 8.912 7.295 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.721 9.808 6.255 1.00 0.00 C ATOM 1034 OH TYR A 69 6.818 10.501 5.797 1.00 0.00 O ATOM 0 H TYR A 69 -0.137 8.793 7.563 1.00 0.00 H new ATOM 0 HA TYR A 69 1.657 7.422 5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.884 8.169 8.548 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.618 6.664 8.032 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.425 9.480 5.679 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.869 7.518 8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.382 10.715 4.859 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.827 8.753 7.749 1.00 0.00 H new ATOM 0 HH TYR A 69 7.286 10.911 6.554 1.00 0.00 H new ATOM 1044 N TRP A 70 -0.874 6.221 6.729 1.00 0.00 N ATOM 1045 CA TRP A 70 -1.713 5.046 6.936 1.00 0.00 C ATOM 1046 C TRP A 70 -2.905 5.054 5.986 1.00 0.00 C ATOM 1047 O TRP A 70 -3.457 6.111 5.676 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.200 4.991 8.385 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.369 5.890 8.653 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.333 7.137 9.207 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -4.746 5.609 8.381 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.605 7.649 9.296 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.490 6.731 8.795 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.423 4.520 7.826 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -6.875 6.792 8.672 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -6.798 4.582 7.705 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.512 5.712 8.125 1.00 0.00 C ATOM 0 H TRP A 70 -1.385 7.062 6.461 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.113 4.160 6.728 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.476 3.965 8.629 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.379 5.267 9.047 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.436 7.646 9.528 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.851 8.564 9.674 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.881 3.645 7.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.427 7.661 8.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.332 3.745 7.279 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.586 5.731 8.015 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.299 3.871 5.526 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.427 3.742 4.611 1.00 0.00 C ATOM 1070 C HIS A 71 -5.100 2.382 4.765 1.00 0.00 C ATOM 1071 O HIS A 71 -4.430 1.364 4.943 1.00 0.00 O ATOM 1072 CB HIS A 71 -3.965 3.935 3.167 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.069 3.812 2.163 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -5.967 4.826 1.904 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.417 2.787 1.351 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -6.820 4.429 0.977 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.508 3.195 0.624 1.00 0.00 N ATOM 0 H HIS A 71 -2.853 2.987 5.772 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.153 4.516 4.859 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.505 4.918 3.070 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.194 3.199 2.939 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.928 1.826 1.287 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.634 5.014 0.576 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.998 2.636 -0.075 1.00 0.00 H new ATOM 1086 N SER A 72 -6.427 2.372 4.697 1.00 0.00 N ATOM 1087 CA SER A 72 -7.190 1.136 4.834 1.00 0.00 C ATOM 1088 C SER A 72 -7.822 0.739 3.504 1.00 0.00 C ATOM 1089 O SER A 72 -8.742 1.399 3.019 1.00 0.00 O ATOM 1090 CB SER A 72 -8.276 1.298 5.900 1.00 0.00 C ATOM 1091 OG SER A 72 -9.207 2.301 5.531 1.00 0.00 O ATOM 0 H SER A 72 -6.996 3.205 4.548 1.00 0.00 H new ATOM 0 HA SER A 72 -6.505 0.346 5.141 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.795 0.350 6.042 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.817 1.556 6.855 1.00 0.00 H new ATOM 0 HG SER A 72 -9.326 2.295 4.558 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.323 -0.345 2.919 1.00 0.00 N ATOM 1098 CA ILE A 73 -7.839 -0.832 1.646 1.00 0.00 C ATOM 1099 C ILE A 73 -9.192 -1.511 1.824 1.00 0.00 C ATOM 1100 O ILE A 73 -9.509 -2.013 2.903 1.00 0.00 O ATOM 1101 CB ILE A 73 -6.863 -1.823 0.985 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.438 -1.267 1.017 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.291 -2.114 -0.446 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.370 -2.339 0.984 1.00 0.00 C ATOM 0 H ILE A 73 -6.562 -0.903 3.307 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.954 0.038 0.999 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.882 -2.757 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.298 -0.600 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.311 -0.667 1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.591 -2.816 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.291 -2.548 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.298 -1.187 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.385 -1.872 1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.484 -2.993 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.471 -2.925 0.070 1.00 0.00 H new ATOM 1116 N SER A 74 -9.987 -1.524 0.759 1.00 0.00 N ATOM 1117 CA SER A 74 -11.308 -2.140 0.799 1.00 0.00 C ATOM 1118 C SER A 74 -11.593 -2.899 -0.494 1.00 0.00 C ATOM 1119 O SER A 74 -10.756 -2.946 -1.397 1.00 0.00 O ATOM 1120 CB SER A 74 -12.384 -1.076 1.026 1.00 0.00 C ATOM 1121 OG SER A 74 -12.002 -0.176 2.052 1.00 0.00 O ATOM 0 H SER A 74 -9.739 -1.115 -0.142 1.00 0.00 H new ATOM 0 HA SER A 74 -11.326 -2.848 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.557 -0.526 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.325 -1.557 1.292 1.00 0.00 H new ATOM 0 HG SER A 74 -12.705 0.495 2.177 1.00 0.00 H new ATOM 1127 N HIS A 75 -12.779 -3.492 -0.576 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.176 -4.248 -1.758 1.00 0.00 C ATOM 1129 C HIS A 75 -12.198 -5.389 -2.027 1.00 0.00 C ATOM 1130 O HIS A 75 -11.729 -5.566 -3.152 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.252 -3.328 -2.977 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.588 -2.676 -3.153 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -15.437 -2.969 -4.200 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -15.223 -1.742 -2.407 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -16.534 -2.242 -4.091 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -16.430 -1.489 -3.011 1.00 0.00 N ATOM 0 H HIS A 75 -13.482 -3.464 0.162 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.162 -4.674 -1.572 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.489 -2.555 -2.887 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.017 -3.904 -3.872 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -14.850 -1.281 -1.504 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -17.374 -2.260 -4.770 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -17.132 -0.827 -2.680 1.00 0.00 H new ATOM 1145 N LEU A 76 -11.894 -6.158 -0.987 1.00 0.00 N ATOM 1146 CA LEU A 76 -10.972 -7.281 -1.110 1.00 0.00 C ATOM 1147 C LEU A 76 -11.693 -8.606 -0.883 1.00 0.00 C ATOM 1148 O LEU A 76 -12.891 -8.630 -0.604 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.823 -7.134 -0.111 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.217 -5.736 0.015 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.638 -5.528 1.406 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.149 -5.520 -1.047 1.00 0.00 C ATOM 0 H LEU A 76 -12.273 -6.024 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.568 -7.278 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.181 -7.443 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.031 -7.827 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.009 -5.003 -0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.211 -4.528 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.428 -5.639 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.860 -6.268 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.729 -4.520 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.359 -6.260 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.594 -5.625 -2.037 1.00 0.00 H new ATOM 1164 N GLN A 77 -10.953 -9.704 -1.001 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.523 -11.032 -0.806 1.00 0.00 C ATOM 1166 C GLN A 77 -11.277 -11.527 0.616 1.00 0.00 C ATOM 1167 O GLN A 77 -10.225 -11.290 1.208 1.00 0.00 O ATOM 1168 CB GLN A 77 -10.926 -12.018 -1.812 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.188 -11.642 -3.261 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.311 -12.410 -4.231 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -9.889 -13.532 -3.949 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -10.032 -11.808 -5.381 1.00 0.00 N ATOM 0 H GLN A 77 -9.959 -9.700 -1.230 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.599 -10.965 -0.967 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.850 -12.082 -1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.336 -13.010 -1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.235 -11.830 -3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.018 -10.573 -3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.403 -10.878 -5.573 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.446 -12.276 -6.073 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.272 -12.230 1.178 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.187 -12.772 2.537 1.00 0.00 C ATOM 1183 C PRO A 78 -11.186 -13.917 2.643 1.00 0.00 C ATOM 1184 O PRO A 78 -10.948 -14.636 1.673 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.607 -13.277 2.806 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.171 -13.560 1.457 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.555 -12.549 0.530 1.00 0.00 C ATOM 0 HA PRO A 78 -11.842 -12.026 3.253 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.597 -14.173 3.427 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.199 -12.530 3.334 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.934 -14.576 1.140 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.258 -13.473 1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.410 -12.957 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.183 -11.664 0.425 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.604 -14.081 3.827 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.628 -15.139 4.058 1.00 0.00 C ATOM 1197 C GLU A 79 -8.795 -15.394 2.805 1.00 0.00 C ATOM 1198 O GLU A 79 -8.494 -16.539 2.466 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.332 -16.428 4.486 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.732 -16.577 3.912 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.359 -17.917 4.243 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.623 -18.926 4.272 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -13.586 -17.957 4.474 1.00 0.00 O ATOM 0 H GLU A 79 -10.792 -13.495 4.640 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.961 -14.815 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.729 -17.281 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.390 -16.456 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.366 -15.778 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.691 -16.457 2.829 1.00 0.00 H new ATOM 1210 N THR A 80 -8.425 -14.317 2.118 1.00 0.00 N ATOM 1211 CA THR A 80 -7.629 -14.423 0.902 1.00 0.00 C ATOM 1212 C THR A 80 -6.235 -13.840 1.105 1.00 0.00 C ATOM 1213 O THR A 80 -6.061 -12.622 1.140 1.00 0.00 O ATOM 1214 CB THR A 80 -8.308 -13.702 -0.278 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.610 -14.252 -0.504 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.472 -13.830 -1.543 1.00 0.00 C ATOM 0 H THR A 80 -8.664 -13.362 2.384 1.00 0.00 H new ATOM 0 HA THR A 80 -7.545 -15.485 0.670 1.00 0.00 H new ATOM 0 HB THR A 80 -8.399 -12.645 -0.026 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.186 -14.057 0.265 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.971 -13.313 -2.363 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.491 -13.385 -1.377 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.354 -14.884 -1.796 1.00 0.00 H new ATOM 1224 N SER A 81 -5.245 -14.717 1.237 1.00 0.00 N ATOM 1225 CA SER A 81 -3.866 -14.288 1.440 1.00 0.00 C ATOM 1226 C SER A 81 -3.238 -13.839 0.124 1.00 0.00 C ATOM 1227 O SER A 81 -2.946 -14.658 -0.749 1.00 0.00 O ATOM 1228 CB SER A 81 -3.042 -15.423 2.051 1.00 0.00 C ATOM 1229 OG SER A 81 -1.984 -14.914 2.845 1.00 0.00 O ATOM 0 H SER A 81 -5.372 -15.729 1.207 1.00 0.00 H new ATOM 0 HA SER A 81 -3.871 -13.442 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.686 -16.057 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.636 -16.050 1.257 1.00 0.00 H new ATOM 0 HG SER A 81 -1.473 -15.659 3.226 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.032 -12.534 -0.012 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.441 -11.975 -1.221 1.00 0.00 C ATOM 1237 C TYR A 82 -1.364 -10.950 -0.878 1.00 0.00 C ATOM 1238 O TYR A 82 -1.352 -10.388 0.217 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.520 -11.325 -2.088 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.476 -10.449 -1.310 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.051 -9.249 -0.752 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.803 -10.820 -1.133 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.920 -8.446 -0.039 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.679 -10.022 -0.423 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.233 -8.836 0.122 1.00 0.00 C ATOM 1246 OH TYR A 82 -7.103 -8.039 0.830 1.00 0.00 O ATOM 0 H TYR A 82 -3.266 -11.843 0.701 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.978 -12.790 -1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.040 -10.726 -2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.087 -12.106 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.024 -8.939 -0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.156 -11.748 -1.558 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.573 -7.518 0.390 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.708 -10.325 -0.295 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.749 -7.126 0.873 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.460 -10.713 -1.822 1.00 0.00 N ATOM 1257 CA ASP A 83 0.622 -9.756 -1.622 1.00 0.00 C ATOM 1258 C ASP A 83 0.096 -8.324 -1.670 1.00 0.00 C ATOM 1259 O ASP A 83 -0.912 -8.044 -2.320 1.00 0.00 O ATOM 1260 CB ASP A 83 1.706 -9.949 -2.683 1.00 0.00 C ATOM 1261 CG ASP A 83 2.308 -11.340 -2.648 1.00 0.00 C ATOM 1262 OD1 ASP A 83 3.136 -11.607 -1.751 1.00 0.00 O ATOM 1263 OD2 ASP A 83 1.951 -12.163 -3.517 1.00 0.00 O ATOM 0 H ASP A 83 -0.455 -11.171 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 83 1.053 -9.934 -0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.282 -9.765 -3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.494 -9.211 -2.532 1.00 0.00 H new ATOM 1268 N ILE A 84 0.783 -7.423 -0.977 1.00 0.00 N ATOM 1269 CA ILE A 84 0.385 -6.021 -0.941 1.00 0.00 C ATOM 1270 C ILE A 84 1.603 -5.104 -0.954 1.00 0.00 C ATOM 1271 O ILE A 84 2.550 -5.299 -0.191 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.465 -5.710 0.305 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.733 -6.566 0.310 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.818 -4.230 0.348 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.278 -6.830 1.697 1.00 0.00 C ATOM 0 H ILE A 84 1.618 -7.638 -0.433 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.213 -5.839 -1.834 1.00 0.00 H new ATOM 0 HB ILE A 84 0.117 -5.951 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.500 -6.069 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.521 -7.518 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.419 -4.025 1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.097 -3.639 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.385 -3.965 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.177 -7.442 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.528 -7.355 2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.522 -5.883 2.178 1.00 0.00 H new ATOM 1287 N LYS A 85 1.572 -4.100 -1.824 1.00 0.00 N ATOM 1288 CA LYS A 85 2.671 -3.148 -1.935 1.00 0.00 C ATOM 1289 C LYS A 85 2.146 -1.740 -2.195 1.00 0.00 C ATOM 1290 O LYS A 85 0.968 -1.552 -2.497 1.00 0.00 O ATOM 1291 CB LYS A 85 3.622 -3.566 -3.059 1.00 0.00 C ATOM 1292 CG LYS A 85 3.075 -3.295 -4.450 1.00 0.00 C ATOM 1293 CD LYS A 85 4.116 -3.575 -5.522 1.00 0.00 C ATOM 1294 CE LYS A 85 3.565 -3.311 -6.915 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.293 -1.864 -7.139 1.00 0.00 N ATOM 0 H LYS A 85 0.797 -3.924 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 85 3.214 -3.145 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.567 -3.036 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.839 -4.630 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.196 -3.916 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.751 -2.257 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.993 -2.950 -5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.445 -4.612 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.277 -3.666 -7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.646 -3.879 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.309 -1.740 -7.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.443 -1.341 -6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.937 -1.499 -7.870 1.00 0.00 H new ATOM 1309 N MET A 86 3.030 -0.754 -2.079 1.00 0.00 N ATOM 1310 CA MET A 86 2.655 0.638 -2.304 1.00 0.00 C ATOM 1311 C MET A 86 3.820 1.425 -2.895 1.00 0.00 C ATOM 1312 O MET A 86 4.936 0.916 -2.998 1.00 0.00 O ATOM 1313 CB MET A 86 2.199 1.284 -0.995 1.00 0.00 C ATOM 1314 CG MET A 86 3.289 1.348 0.063 1.00 0.00 C ATOM 1315 SD MET A 86 2.907 2.514 1.384 1.00 0.00 S ATOM 1316 CE MET A 86 2.444 3.961 0.436 1.00 0.00 C ATOM 0 H MET A 86 4.010 -0.893 -1.831 1.00 0.00 H new ATOM 0 HA MET A 86 1.829 0.656 -3.015 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.845 2.294 -1.202 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.352 0.724 -0.599 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.434 0.356 0.490 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.230 1.633 -0.407 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.659 4.859 1.015 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.013 3.984 -0.494 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.379 3.922 0.209 1.00 0.00 H new ATOM 1326 N GLN A 87 3.553 2.669 -3.281 1.00 0.00 N ATOM 1327 CA GLN A 87 4.580 3.525 -3.863 1.00 0.00 C ATOM 1328 C GLN A 87 4.200 4.996 -3.732 1.00 0.00 C ATOM 1329 O GLN A 87 3.020 5.346 -3.751 1.00 0.00 O ATOM 1330 CB GLN A 87 4.796 3.170 -5.335 1.00 0.00 C ATOM 1331 CG GLN A 87 5.637 4.188 -6.089 1.00 0.00 C ATOM 1332 CD GLN A 87 5.491 4.065 -7.593 1.00 0.00 C ATOM 1333 OE1 GLN A 87 6.225 3.317 -8.240 1.00 0.00 O ATOM 1334 NE2 GLN A 87 4.542 4.802 -8.158 1.00 0.00 N ATOM 0 H GLN A 87 2.635 3.106 -3.201 1.00 0.00 H new ATOM 0 HA GLN A 87 5.509 3.359 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.278 2.195 -5.398 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.826 3.078 -5.824 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.348 5.193 -5.781 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.685 4.060 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.957 5.408 -7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.398 4.762 -9.167 1.00 0.00 H new ATOM 1343 N CYS A 88 5.207 5.852 -3.600 1.00 0.00 N ATOM 1344 CA CYS A 88 4.979 7.287 -3.465 1.00 0.00 C ATOM 1345 C CYS A 88 5.302 8.013 -4.766 1.00 0.00 C ATOM 1346 O CYS A 88 6.118 7.549 -5.563 1.00 0.00 O ATOM 1347 CB CYS A 88 5.826 7.854 -2.326 1.00 0.00 C ATOM 1348 SG CYS A 88 7.538 8.210 -2.785 1.00 0.00 S ATOM 0 H CYS A 88 6.189 5.578 -3.584 1.00 0.00 H new ATOM 0 HA CYS A 88 3.925 7.443 -3.236 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.361 8.770 -1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.823 7.145 -1.498 1.00 0.00 H new ATOM 0 HG CYS A 88 8.173 8.688 -1.756 1.00 0.00 H new ATOM 1354 N PHE A 89 4.656 9.155 -4.977 1.00 0.00 N ATOM 1355 CA PHE A 89 4.872 9.946 -6.183 1.00 0.00 C ATOM 1356 C PHE A 89 4.900 11.436 -5.859 1.00 0.00 C ATOM 1357 O PHE A 89 4.450 11.859 -4.795 1.00 0.00 O ATOM 1358 CB PHE A 89 3.777 9.656 -7.211 1.00 0.00 C ATOM 1359 CG PHE A 89 2.464 10.310 -6.890 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.725 9.906 -5.790 1.00 0.00 C ATOM 1361 CD2 PHE A 89 1.970 11.330 -7.687 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.516 10.506 -5.491 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.762 11.934 -7.392 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.034 11.521 -6.294 1.00 0.00 C ATOM 0 H PHE A 89 3.978 9.554 -4.328 1.00 0.00 H new ATOM 0 HA PHE A 89 5.838 9.666 -6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.112 9.994 -8.192 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.630 8.578 -7.279 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.098 9.113 -5.159 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.535 11.657 -8.548 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.051 10.182 -4.631 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.388 12.729 -8.020 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.911 11.991 -6.063 1.00 0.00 H new ATOM 1374 N ASN A 90 5.433 12.227 -6.784 1.00 0.00 N ATOM 1375 CA ASN A 90 5.520 13.671 -6.598 1.00 0.00 C ATOM 1376 C ASN A 90 5.803 14.375 -7.922 1.00 0.00 C ATOM 1377 O ASN A 90 6.049 13.728 -8.939 1.00 0.00 O ATOM 1378 CB ASN A 90 6.615 14.009 -5.584 1.00 0.00 C ATOM 1379 CG ASN A 90 7.971 14.195 -6.237 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.243 13.635 -7.299 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.830 14.985 -5.604 1.00 0.00 N ATOM 0 H ASN A 90 5.811 11.893 -7.670 1.00 0.00 H new ATOM 0 HA ASN A 90 4.560 14.022 -6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.344 14.920 -5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.678 13.212 -4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.757 15.148 -5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.562 15.429 -4.726 1.00 0.00 H new ATOM 1388 N GLU A 91 5.765 15.703 -7.899 1.00 0.00 N ATOM 1389 CA GLU A 91 6.016 16.494 -9.098 1.00 0.00 C ATOM 1390 C GLU A 91 7.111 15.858 -9.950 1.00 0.00 C ATOM 1391 O GLU A 91 7.022 15.833 -11.177 1.00 0.00 O ATOM 1392 CB GLU A 91 6.416 17.922 -8.720 1.00 0.00 C ATOM 1393 CG GLU A 91 7.598 17.992 -7.768 1.00 0.00 C ATOM 1394 CD GLU A 91 7.750 19.356 -7.125 1.00 0.00 C ATOM 1395 OE1 GLU A 91 6.793 19.808 -6.460 1.00 0.00 O ATOM 1396 OE2 GLU A 91 8.824 19.973 -7.285 1.00 0.00 O ATOM 0 H GLU A 91 5.563 16.254 -7.064 1.00 0.00 H new ATOM 0 HA GLU A 91 5.096 16.524 -9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.658 18.475 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.562 18.420 -8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.477 17.239 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.511 17.746 -8.310 1.00 0.00 H new ATOM 1403 N GLY A 92 8.144 15.344 -9.289 1.00 0.00 N ATOM 1404 CA GLY A 92 9.241 14.715 -10.001 1.00 0.00 C ATOM 1405 C GLY A 92 8.809 13.468 -10.747 1.00 0.00 C ATOM 1406 O GLY A 92 9.099 13.314 -11.933 1.00 0.00 O ATOM 0 H GLY A 92 8.241 15.352 -8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.668 15.427 -10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.029 14.457 -9.293 1.00 0.00 H new ATOM 1410 N GLY A 93 8.114 12.574 -10.051 1.00 0.00 N ATOM 1411 CA GLY A 93 7.654 11.345 -10.671 1.00 0.00 C ATOM 1412 C GLY A 93 7.472 10.223 -9.668 1.00 0.00 C ATOM 1413 O GLY A 93 7.809 10.371 -8.494 1.00 0.00 O ATOM 0 H GLY A 93 7.861 12.679 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.708 11.530 -11.180 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.370 11.035 -11.432 1.00 0.00 H new ATOM 1417 N GLU A 94 6.937 9.098 -10.132 1.00 0.00 N ATOM 1418 CA GLU A 94 6.709 7.947 -9.266 1.00 0.00 C ATOM 1419 C GLU A 94 8.029 7.390 -8.742 1.00 0.00 C ATOM 1420 O GLU A 94 9.014 7.303 -9.476 1.00 0.00 O ATOM 1421 CB GLU A 94 5.946 6.856 -10.021 1.00 0.00 C ATOM 1422 CG GLU A 94 4.484 7.191 -10.261 1.00 0.00 C ATOM 1423 CD GLU A 94 3.846 6.299 -11.309 1.00 0.00 C ATOM 1424 OE1 GLU A 94 4.156 6.475 -12.506 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.037 5.426 -10.932 1.00 0.00 O ATOM 0 H GLU A 94 6.654 8.959 -11.102 1.00 0.00 H new ATOM 0 HA GLU A 94 6.111 8.277 -8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.432 6.682 -10.981 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.009 5.925 -9.458 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.935 7.095 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.400 8.231 -10.575 1.00 0.00 H new ATOM 1432 N SER A 95 8.042 7.015 -7.467 1.00 0.00 N ATOM 1433 CA SER A 95 9.242 6.471 -6.842 1.00 0.00 C ATOM 1434 C SER A 95 9.338 4.966 -7.070 1.00 0.00 C ATOM 1435 O SER A 95 8.494 4.375 -7.743 1.00 0.00 O ATOM 1436 CB SER A 95 9.243 6.773 -5.342 1.00 0.00 C ATOM 1437 OG SER A 95 10.376 6.205 -4.708 1.00 0.00 O ATOM 0 H SER A 95 7.235 7.078 -6.846 1.00 0.00 H new ATOM 0 HA SER A 95 10.109 6.946 -7.301 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.237 7.852 -5.185 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.333 6.380 -4.888 1.00 0.00 H new ATOM 0 HG SER A 95 10.122 5.361 -4.279 1.00 0.00 H new ATOM 1443 N GLU A 96 10.373 4.352 -6.503 1.00 0.00 N ATOM 1444 CA GLU A 96 10.580 2.916 -6.645 1.00 0.00 C ATOM 1445 C GLU A 96 9.410 2.137 -6.051 1.00 0.00 C ATOM 1446 O GLU A 96 8.536 2.708 -5.398 1.00 0.00 O ATOM 1447 CB GLU A 96 11.884 2.497 -5.964 1.00 0.00 C ATOM 1448 CG GLU A 96 13.126 3.085 -6.612 1.00 0.00 C ATOM 1449 CD GLU A 96 14.344 2.196 -6.455 1.00 0.00 C ATOM 1450 OE1 GLU A 96 14.384 1.127 -7.099 1.00 0.00 O ATOM 1451 OE2 GLU A 96 15.256 2.568 -5.687 1.00 0.00 O ATOM 0 H GLU A 96 11.080 4.827 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 96 10.644 2.687 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.852 2.801 -4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.958 1.410 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.935 3.248 -7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.334 4.060 -6.172 1.00 0.00 H new ATOM 1458 N PHE A 97 9.399 0.828 -6.284 1.00 0.00 N ATOM 1459 CA PHE A 97 8.337 -0.031 -5.774 1.00 0.00 C ATOM 1460 C PHE A 97 8.643 -0.488 -4.351 1.00 0.00 C ATOM 1461 O PHE A 97 9.677 -1.103 -4.094 1.00 0.00 O ATOM 1462 CB PHE A 97 8.154 -1.247 -6.684 1.00 0.00 C ATOM 1463 CG PHE A 97 7.283 -0.977 -7.878 1.00 0.00 C ATOM 1464 CD1 PHE A 97 7.404 0.207 -8.587 1.00 0.00 C ATOM 1465 CD2 PHE A 97 6.342 -1.907 -8.289 1.00 0.00 C ATOM 1466 CE1 PHE A 97 6.604 0.458 -9.686 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.539 -1.661 -9.387 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.670 -0.477 -10.086 1.00 0.00 C ATOM 0 H PHE A 97 10.114 0.339 -6.823 1.00 0.00 H new ATOM 0 HA PHE A 97 7.412 0.546 -5.760 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.132 -1.585 -7.027 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.720 -2.062 -6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.132 0.942 -8.277 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.235 -2.834 -7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.709 1.384 -10.231 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.810 -2.394 -9.698 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.043 -0.283 -10.944 1.00 0.00 H new ATOM 1478 N SER A 98 7.735 -0.182 -3.429 1.00 0.00 N ATOM 1479 CA SER A 98 7.909 -0.557 -2.031 1.00 0.00 C ATOM 1480 C SER A 98 7.972 -2.073 -1.879 1.00 0.00 C ATOM 1481 O SER A 98 7.601 -2.815 -2.788 1.00 0.00 O ATOM 1482 CB SER A 98 6.765 0.005 -1.184 1.00 0.00 C ATOM 1483 OG SER A 98 6.986 -0.235 0.195 1.00 0.00 O ATOM 0 H SER A 98 6.872 0.325 -3.625 1.00 0.00 H new ATOM 0 HA SER A 98 8.851 -0.135 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.671 1.077 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.824 -0.452 -1.490 1.00 0.00 H new ATOM 0 HG SER A 98 7.306 0.586 0.623 1.00 0.00 H new ATOM 1489 N ASN A 99 8.444 -2.527 -0.722 1.00 0.00 N ATOM 1490 CA ASN A 99 8.556 -3.955 -0.450 1.00 0.00 C ATOM 1491 C ASN A 99 7.201 -4.643 -0.584 1.00 0.00 C ATOM 1492 O ASN A 99 6.180 -3.990 -0.799 1.00 0.00 O ATOM 1493 CB ASN A 99 9.120 -4.185 0.954 1.00 0.00 C ATOM 1494 CG ASN A 99 8.543 -3.222 1.973 1.00 0.00 C ATOM 1495 OD1 ASN A 99 8.542 -2.009 1.766 1.00 0.00 O ATOM 1496 ND2 ASN A 99 8.050 -3.761 3.082 1.00 0.00 N ATOM 0 H ASN A 99 8.755 -1.927 0.042 1.00 0.00 H new ATOM 0 HA ASN A 99 9.237 -4.387 -1.184 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.908 -5.208 1.265 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.204 -4.077 0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.649 -3.163 3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.072 -4.773 3.211 1.00 0.00 H new ATOM 1503 N VAL A 100 7.200 -5.966 -0.456 1.00 0.00 N ATOM 1504 CA VAL A 100 5.971 -6.743 -0.562 1.00 0.00 C ATOM 1505 C VAL A 100 5.547 -7.289 0.797 1.00 0.00 C ATOM 1506 O VAL A 100 6.310 -7.989 1.462 1.00 0.00 O ATOM 1507 CB VAL A 100 6.131 -7.917 -1.546 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.839 -8.714 -1.643 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.558 -7.409 -2.915 1.00 0.00 C ATOM 0 H VAL A 100 8.037 -6.522 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 100 5.202 -6.067 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 100 6.910 -8.580 -1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.972 -9.539 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.581 -9.110 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.037 -8.065 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.666 -8.251 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.803 -6.724 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.511 -6.887 -2.828 1.00 0.00 H new ATOM 1519 N MET A 101 4.325 -6.962 1.205 1.00 0.00 N ATOM 1520 CA MET A 101 3.799 -7.421 2.485 1.00 0.00 C ATOM 1521 C MET A 101 2.558 -8.286 2.285 1.00 0.00 C ATOM 1522 O MET A 101 1.564 -7.838 1.712 1.00 0.00 O ATOM 1523 CB MET A 101 3.463 -6.227 3.380 1.00 0.00 C ATOM 1524 CG MET A 101 4.663 -5.351 3.701 1.00 0.00 C ATOM 1525 SD MET A 101 5.814 -6.142 4.842 1.00 0.00 S ATOM 1526 CE MET A 101 5.065 -5.732 6.416 1.00 0.00 C ATOM 0 H MET A 101 3.681 -6.381 0.668 1.00 0.00 H new ATOM 0 HA MET A 101 4.567 -8.025 2.969 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.701 -5.620 2.891 1.00 0.00 H new ATOM 0 HB3 MET A 101 3.031 -6.592 4.312 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.185 -5.104 2.777 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.317 -4.412 4.133 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.682 -4.996 6.932 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.070 -5.319 6.249 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.986 -6.631 7.027 1.00 0.00 H new ATOM 1536 N ILE A 102 2.623 -9.526 2.758 1.00 0.00 N ATOM 1537 CA ILE A 102 1.505 -10.452 2.631 1.00 0.00 C ATOM 1538 C ILE A 102 0.582 -10.368 3.842 1.00 0.00 C ATOM 1539 O ILE A 102 0.888 -10.904 4.907 1.00 0.00 O ATOM 1540 CB ILE A 102 1.992 -11.904 2.470 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.817 -12.049 1.190 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.809 -12.861 2.456 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.588 -13.348 1.112 1.00 0.00 C ATOM 0 H ILE A 102 3.439 -9.913 3.233 1.00 0.00 H new ATOM 0 HA ILE A 102 0.954 -10.161 1.736 1.00 0.00 H new ATOM 0 HB ILE A 102 2.627 -12.155 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.152 -11.978 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.517 -11.216 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.169 -13.883 2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.259 -12.773 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.150 -12.613 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.150 -13.382 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.278 -13.413 1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.893 -14.187 1.148 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.550 -9.694 3.670 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.520 -9.541 4.749 1.00 0.00 C ATOM 1557 C CYS A 103 -2.793 -10.326 4.451 1.00 0.00 C ATOM 1558 O CYS A 103 -3.558 -9.969 3.555 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.854 -8.063 4.956 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.594 -7.692 6.564 1.00 0.00 S ATOM 0 H CYS A 103 -0.819 -9.245 2.794 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.076 -9.937 5.662 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.942 -7.476 4.843 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.538 -7.743 4.170 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.839 -6.418 6.646 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.012 -11.397 5.207 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.192 -12.234 5.021 1.00 0.00 C ATOM 1568 C GLU A 104 -5.432 -11.562 5.602 1.00 0.00 C ATOM 1569 O GLU A 104 -5.441 -11.143 6.760 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.984 -13.601 5.677 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.916 -14.678 5.148 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.227 -15.740 6.185 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -4.287 -16.437 6.620 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -6.410 -15.873 6.562 1.00 0.00 O ATOM 0 H GLU A 104 -2.389 -11.706 5.953 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.343 -12.372 3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.952 -13.916 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.128 -13.504 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.846 -14.217 4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.463 -15.149 4.275 1.00 0.00 H new ATOM 1581 N THR A 105 -6.480 -11.463 4.790 1.00 0.00 N ATOM 1582 CA THR A 105 -7.726 -10.841 5.222 1.00 0.00 C ATOM 1583 C THR A 105 -8.412 -11.674 6.299 1.00 0.00 C ATOM 1584 O THR A 105 -7.904 -12.718 6.709 1.00 0.00 O ATOM 1585 CB THR A 105 -8.697 -10.650 4.042 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.657 -11.795 3.183 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.343 -9.402 3.247 1.00 0.00 C ATOM 0 H THR A 105 -6.491 -11.806 3.829 1.00 0.00 H new ATOM 0 HA THR A 105 -7.466 -9.865 5.631 1.00 0.00 H new ATOM 0 HB THR A 105 -9.703 -10.533 4.444 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.473 -11.826 2.641 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.042 -9.288 2.419 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.403 -8.528 3.896 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.330 -9.495 2.856 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.569 -11.207 6.754 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.327 -11.909 7.783 1.00 0.00 C ATOM 1597 C LYS A 106 -11.342 -12.861 7.156 1.00 0.00 C ATOM 1598 O LYS A 106 -11.751 -12.680 6.010 1.00 0.00 O ATOM 1599 CB LYS A 106 -11.044 -10.907 8.690 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.182 -10.395 9.830 1.00 0.00 C ATOM 1601 CD LYS A 106 -11.019 -10.041 11.048 1.00 0.00 C ATOM 1602 CE LYS A 106 -10.198 -9.302 12.094 1.00 0.00 C ATOM 1603 NZ LYS A 106 -9.573 -10.237 13.070 1.00 0.00 N ATOM 0 H LYS A 106 -10.003 -10.344 6.426 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.627 -12.494 8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.378 -10.061 8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.936 -11.377 9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.447 -11.153 10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.627 -9.516 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.863 -9.422 10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.431 -10.951 11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.420 -8.719 11.600 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.837 -8.596 12.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.022 -9.695 13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.316 -10.775 13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.944 -10.894 12.567 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.745 -13.873 7.917 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.715 -14.850 7.438 1.00 0.00 C ATOM 1619 C ALA A 107 -14.122 -14.262 7.415 1.00 0.00 C ATOM 1620 O ALA A 107 -14.559 -13.637 8.381 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.677 -16.100 8.305 1.00 0.00 C ATOM 0 H ALA A 107 -11.415 -14.038 8.868 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.447 -15.121 6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.406 -16.821 7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.680 -16.540 8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.917 -15.836 9.335 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.825 -14.465 6.306 1.00 0.00 N ATOM 1628 CA ARG A 108 -16.182 -13.953 6.157 1.00 0.00 C ATOM 1629 C ARG A 108 -17.191 -14.889 6.815 1.00 0.00 C ATOM 1630 O ARG A 108 -18.106 -15.390 6.161 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.523 -13.776 4.676 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.393 -15.055 3.865 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.209 -14.987 2.583 1.00 0.00 C ATOM 1634 NE ARG A 108 -18.579 -15.452 2.781 1.00 0.00 N ATOM 1635 CZ ARG A 108 -19.438 -15.653 1.787 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -19.069 -15.429 0.533 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -20.667 -16.078 2.047 1.00 0.00 N ATOM 0 H ARG A 108 -14.477 -14.980 5.497 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.235 -12.984 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.543 -13.402 4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.868 -13.017 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.345 -15.228 3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -16.725 -15.903 4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -17.224 -13.960 2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -16.728 -15.592 1.815 1.00 0.00 H new ATOM 0 HE ARG A 108 -18.894 -15.632 3.734 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -18.124 -15.102 0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -19.730 -15.584 -0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -20.954 -16.251 3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -21.326 -16.232 1.283 1.00 0.00 H new ATOM 1651 N SER A 109 -17.018 -15.120 8.112 1.00 0.00 N ATOM 1652 CA SER A 109 -17.911 -15.999 8.858 1.00 0.00 C ATOM 1653 C SER A 109 -19.097 -15.220 9.418 1.00 0.00 C ATOM 1654 O SER A 109 -18.939 -14.369 10.293 1.00 0.00 O ATOM 1655 CB SER A 109 -17.153 -16.684 9.997 1.00 0.00 C ATOM 1656 OG SER A 109 -17.727 -17.942 10.307 1.00 0.00 O ATOM 0 H SER A 109 -16.268 -14.711 8.668 1.00 0.00 H new ATOM 0 HA SER A 109 -18.288 -16.759 8.173 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.109 -16.817 9.715 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.166 -16.047 10.881 1.00 0.00 H new ATOM 0 HG SER A 109 -17.224 -18.360 11.036 1.00 0.00 H new ATOM 1662 N GLY A 110 -20.288 -15.518 8.907 1.00 0.00 N ATOM 1663 CA GLY A 110 -21.484 -14.837 9.367 1.00 0.00 C ATOM 1664 C GLY A 110 -22.537 -15.799 9.881 1.00 0.00 C ATOM 1665 O GLY A 110 -22.599 -16.960 9.476 1.00 0.00 O ATOM 0 H GLY A 110 -20.446 -16.219 8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.218 -14.137 10.159 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.901 -14.249 8.549 1.00 0.00 H new ATOM 1669 N PRO A 111 -23.390 -15.315 10.796 1.00 0.00 N ATOM 1670 CA PRO A 111 -24.460 -16.124 11.387 1.00 0.00 C ATOM 1671 C PRO A 111 -25.564 -16.445 10.386 1.00 0.00 C ATOM 1672 O PRO A 111 -26.242 -17.466 10.501 1.00 0.00 O ATOM 1673 CB PRO A 111 -24.999 -15.234 12.510 1.00 0.00 C ATOM 1674 CG PRO A 111 -24.670 -13.845 12.083 1.00 0.00 C ATOM 1675 CD PRO A 111 -23.375 -13.941 11.325 1.00 0.00 C ATOM 0 HA PRO A 111 -24.096 -17.093 11.730 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -26.074 -15.365 12.638 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -24.533 -15.476 13.465 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -25.460 -13.432 11.455 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -24.570 -13.185 12.945 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -23.322 -13.203 10.525 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -22.516 -13.770 11.974 1.00 0.00 H new ATOM 1683 N SER A 112 -25.739 -15.567 9.403 1.00 0.00 N ATOM 1684 CA SER A 112 -26.764 -15.756 8.383 1.00 0.00 C ATOM 1685 C SER A 112 -26.447 -16.967 7.512 1.00 0.00 C ATOM 1686 O SER A 112 -27.276 -17.862 7.347 1.00 0.00 O ATOM 1687 CB SER A 112 -26.883 -14.504 7.512 1.00 0.00 C ATOM 1688 OG SER A 112 -28.180 -14.393 6.952 1.00 0.00 O ATOM 0 H SER A 112 -25.184 -14.718 9.292 1.00 0.00 H new ATOM 0 HA SER A 112 -27.715 -15.932 8.886 1.00 0.00 H new ATOM 0 HB2 SER A 112 -26.665 -13.619 8.110 1.00 0.00 H new ATOM 0 HB3 SER A 112 -26.141 -14.540 6.714 1.00 0.00 H new ATOM 0 HG SER A 112 -28.230 -13.584 6.401 1.00 0.00 H new ATOM 1694 N SER A 113 -25.239 -16.988 6.956 1.00 0.00 N ATOM 1695 CA SER A 113 -24.812 -18.087 6.098 1.00 0.00 C ATOM 1696 C SER A 113 -24.584 -19.356 6.914 1.00 0.00 C ATOM 1697 O SER A 113 -23.972 -19.321 7.980 1.00 0.00 O ATOM 1698 CB SER A 113 -23.531 -17.711 5.351 1.00 0.00 C ATOM 1699 OG SER A 113 -22.527 -17.271 6.249 1.00 0.00 O ATOM 0 H SER A 113 -24.540 -16.257 7.085 1.00 0.00 H new ATOM 0 HA SER A 113 -25.604 -18.278 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 113 -23.168 -18.571 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 113 -23.746 -16.925 4.627 1.00 0.00 H new ATOM 0 HG SER A 113 -21.718 -17.038 5.747 1.00 0.00 H new ATOM 1705 N GLY A 114 -25.082 -20.478 6.403 1.00 0.00 N ATOM 1706 CA GLY A 114 -24.924 -21.744 7.096 1.00 0.00 C ATOM 1707 C GLY A 114 -26.230 -22.261 7.666 1.00 0.00 C ATOM 1708 O GLY A 114 -26.255 -23.284 8.348 1.00 0.00 O ATOM 0 H GLY A 114 -25.592 -20.533 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -24.514 -22.483 6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -24.201 -21.625 7.903 1.00 0.00 H new TER 1712 GLY A 114