USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1091 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 95 GLN : amide:sc= -0.845 K(o=-3.1,f=-5.3!) USER MOD Set 1.2: A 125 THR OG1 : rot -90:sc= -2.29! USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.562 K(o=-0.0036,f=-0.75) USER MOD Set 2.2: A 6 GLN : amide:sc= -0.0305 K(o=-0.0036,f=-7) USER MOD Set 2.3: A 16 LYS NZ :NH3+ -153:sc= 0.589 (180deg=0.0641) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.472 USER MOD Single : A 11 TYR OH : rot 150:sc= -1.03 USER MOD Single : A 14 ASN : amide:sc= -0.716 K(o=-0.72,f=-2.8!) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.193 USER MOD Single : A 19 ASN : amide:sc= -1.72 K(o=-1.7,f=0.43) USER MOD Single : A 21 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.42) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.096) USER MOD Single : A 29 GLN : amide:sc= -1.07 K(o=-1.1,f=-5!) USER MOD Single : A 30 ASN : amide:sc= -0.0928 K(o=-0.093,f=-0.63) USER MOD Single : A 31 CYS SG : rot -94:sc= 0.755 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.4) USER MOD Single : A 43 SER OG : rot -169:sc= 1.28 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0864 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0152 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 CYS SG : rot 49:sc= -0.0347 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00779 USER MOD Single : A 60 THR OG1 : rot -3:sc= 0.526 USER MOD Single : A 63 TYR OH : rot -101:sc= 0.0257 USER MOD Single : A 65 CYS SG : rot -110:sc= -1.19 USER MOD Single : A 67 SER OG : rot -133:sc= 0.525 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= -0.0153 (180deg=-0.148) USER MOD Single : A 71 HIS : no HD1:sc= -0.565 X(o=-0.57,f=-0.69) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.0097 USER MOD Single : A 97 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-3.9!) USER MOD Single : A 102 THR OG1 : rot 50:sc= 0.0847 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 118 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-2.6) USER MOD Single : A 126 MET CE :methyl -147:sc= -5.57! (180deg=-7.79!) USER MOD Single : A 148 MET CE :methyl 163:sc= 0 (180deg=-0.541) USER MOD Single : A 150 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.577 -4.258 15.715 1.00 0.00 N ATOM 2 CA GLY A 1 2.045 -4.064 14.314 1.00 0.00 C ATOM 3 C GLY A 1 3.549 -3.882 14.223 1.00 0.00 C ATOM 4 O GLY A 1 4.287 -4.859 14.099 1.00 0.00 O ATOM 0 H1 GLY A 1 0.544 -4.378 15.723 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.026 -5.105 16.117 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.833 -3.427 16.285 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.749 -4.924 13.713 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.550 -3.192 13.887 1.00 0.00 H new ATOM 10 N PRO A 2 4.037 -2.631 14.282 1.00 0.00 N ATOM 11 CA PRO A 2 5.471 -2.340 14.204 1.00 0.00 C ATOM 12 C PRO A 2 6.281 -3.138 15.221 1.00 0.00 C ATOM 13 O PRO A 2 7.136 -3.943 14.854 1.00 0.00 O ATOM 14 CB PRO A 2 5.551 -0.843 14.514 1.00 0.00 C ATOM 15 CG PRO A 2 4.213 -0.306 14.140 1.00 0.00 C ATOM 16 CD PRO A 2 3.230 -1.406 14.430 1.00 0.00 C ATOM 0 HA PRO A 2 5.887 -2.610 13.233 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.767 -0.668 15.568 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.344 -0.362 13.942 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.977 0.590 14.715 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.185 -0.025 13.087 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.813 -1.318 15.433 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.392 -1.390 13.733 1.00 0.00 H new ATOM 24 N TYR A 3 6.001 -2.910 16.501 1.00 0.00 N ATOM 25 CA TYR A 3 6.701 -3.607 17.579 1.00 0.00 C ATOM 26 C TYR A 3 8.161 -3.167 17.655 1.00 0.00 C ATOM 27 O TYR A 3 8.575 -2.524 18.619 1.00 0.00 O ATOM 28 CB TYR A 3 6.622 -5.122 17.377 1.00 0.00 C ATOM 29 CG TYR A 3 6.941 -5.916 18.625 1.00 0.00 C ATOM 30 CD1 TYR A 3 6.081 -5.910 19.715 1.00 0.00 C ATOM 31 CD2 TYR A 3 8.103 -6.673 18.710 1.00 0.00 C ATOM 32 CE1 TYR A 3 6.370 -6.636 20.856 1.00 0.00 C ATOM 33 CE2 TYR A 3 8.398 -7.402 19.847 1.00 0.00 C ATOM 34 CZ TYR A 3 7.529 -7.379 20.916 1.00 0.00 C ATOM 35 OH TYR A 3 7.820 -8.103 22.050 1.00 0.00 O ATOM 0 H TYR A 3 5.294 -2.247 16.819 1.00 0.00 H new ATOM 0 HA TYR A 3 6.213 -3.349 18.519 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.620 -5.383 17.036 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.313 -5.411 16.586 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.172 -5.329 19.671 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.787 -6.692 17.874 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.691 -6.621 21.696 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.305 -7.986 19.897 1.00 0.00 H new ATOM 0 HH TYR A 3 8.672 -8.572 21.929 1.00 0.00 H new ATOM 45 N GLY A 4 8.935 -3.518 16.633 1.00 0.00 N ATOM 46 CA GLY A 4 10.338 -3.150 16.605 1.00 0.00 C ATOM 47 C GLY A 4 10.895 -3.086 15.196 1.00 0.00 C ATOM 48 O GLY A 4 11.616 -2.151 14.849 1.00 0.00 O ATOM 0 H GLY A 4 8.615 -4.051 15.824 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.465 -2.181 17.087 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.911 -3.872 17.186 1.00 0.00 H new ATOM 52 N HIS A 5 10.558 -4.082 14.384 1.00 0.00 N ATOM 53 CA HIS A 5 11.029 -4.136 13.005 1.00 0.00 C ATOM 54 C HIS A 5 9.891 -3.847 12.030 1.00 0.00 C ATOM 55 O HIS A 5 8.745 -4.228 12.268 1.00 0.00 O ATOM 56 CB HIS A 5 11.635 -5.508 12.705 1.00 0.00 C ATOM 57 CG HIS A 5 10.688 -6.644 12.931 1.00 0.00 C ATOM 58 ND1 HIS A 5 10.074 -7.330 11.904 1.00 0.00 N ATOM 59 CD2 HIS A 5 10.248 -7.216 14.077 1.00 0.00 C ATOM 60 CE1 HIS A 5 9.299 -8.273 12.408 1.00 0.00 C ATOM 61 NE2 HIS A 5 9.387 -8.225 13.724 1.00 0.00 N ATOM 0 H HIS A 5 9.961 -4.863 14.657 1.00 0.00 H new ATOM 0 HA HIS A 5 11.796 -3.372 12.879 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.972 -5.528 11.669 1.00 0.00 H new ATOM 0 HB3 HIS A 5 12.516 -5.651 13.330 1.00 0.00 H new ATOM 0 HD2 HIS A 5 10.523 -6.931 15.082 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.696 -8.966 11.840 1.00 0.00 H new ATOM 0 HE2 HIS A 5 8.895 -8.838 14.374 1.00 0.00 H new ATOM 70 N GLN A 6 10.217 -3.171 10.933 1.00 0.00 N ATOM 71 CA GLN A 6 9.222 -2.830 9.923 1.00 0.00 C ATOM 72 C GLN A 6 8.129 -1.947 10.512 1.00 0.00 C ATOM 73 O GLN A 6 7.336 -2.393 11.341 1.00 0.00 O ATOM 74 CB GLN A 6 8.606 -4.100 9.333 1.00 0.00 C ATOM 75 CG GLN A 6 9.439 -4.724 8.227 1.00 0.00 C ATOM 76 CD GLN A 6 10.225 -5.930 8.699 1.00 0.00 C ATOM 77 OE1 GLN A 6 9.818 -7.072 8.490 1.00 0.00 O ATOM 78 NE2 GLN A 6 11.361 -5.682 9.342 1.00 0.00 N ATOM 0 H GLN A 6 11.161 -2.849 10.721 1.00 0.00 H new ATOM 0 HA GLN A 6 9.723 -2.276 9.129 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.469 -4.831 10.130 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.616 -3.866 8.942 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.784 -5.020 7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.128 -3.978 7.831 1.00 0.00 H new ATOM 0 HE21 GLN A 6 11.661 -4.719 9.494 1.00 0.00 H new ATOM 0 HE22 GLN A 6 11.933 -6.454 9.684 1.00 0.00 H new ATOM 87 N SER A 7 8.091 -0.690 10.080 1.00 0.00 N ATOM 88 CA SER A 7 7.093 0.256 10.565 1.00 0.00 C ATOM 89 C SER A 7 6.362 0.919 9.403 1.00 0.00 C ATOM 90 O SER A 7 5.941 2.071 9.497 1.00 0.00 O ATOM 91 CB SER A 7 7.753 1.321 11.442 1.00 0.00 C ATOM 92 OG SER A 7 7.970 0.838 12.757 1.00 0.00 O ATOM 0 H SER A 7 8.740 -0.303 9.395 1.00 0.00 H new ATOM 0 HA SER A 7 6.366 -0.295 11.161 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.703 1.622 11.001 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.122 2.209 11.477 1.00 0.00 H new ATOM 0 HG SER A 7 8.394 1.537 13.297 1.00 0.00 H new ATOM 98 N GLY A 8 6.215 0.182 8.306 1.00 0.00 N ATOM 99 CA GLY A 8 5.534 0.714 7.140 1.00 0.00 C ATOM 100 C GLY A 8 5.275 -0.344 6.086 1.00 0.00 C ATOM 101 O GLY A 8 5.752 -0.232 4.955 1.00 0.00 O ATOM 0 H GLY A 8 6.555 -0.774 8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.586 1.156 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.134 1.515 6.707 1.00 0.00 H new ATOM 105 N ALA A 9 4.518 -1.371 6.454 1.00 0.00 N ATOM 106 CA ALA A 9 4.196 -2.453 5.532 1.00 0.00 C ATOM 107 C ALA A 9 2.923 -3.177 5.960 1.00 0.00 C ATOM 108 O ALA A 9 2.404 -2.947 7.052 1.00 0.00 O ATOM 109 CB ALA A 9 5.360 -3.430 5.439 1.00 0.00 C ATOM 0 H ALA A 9 4.116 -1.477 7.385 1.00 0.00 H new ATOM 0 HA ALA A 9 4.021 -2.021 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.106 -4.233 4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.246 -2.907 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.562 -3.850 6.424 1.00 0.00 H new ATOM 115 N VAL A 10 2.425 -4.052 5.092 1.00 0.00 N ATOM 116 CA VAL A 10 1.212 -4.809 5.381 1.00 0.00 C ATOM 117 C VAL A 10 1.536 -6.270 5.674 1.00 0.00 C ATOM 118 O VAL A 10 2.028 -6.991 4.806 1.00 0.00 O ATOM 119 CB VAL A 10 0.217 -4.740 4.206 1.00 0.00 C ATOM 120 CG1 VAL A 10 -1.079 -5.460 4.552 1.00 0.00 C ATOM 121 CG2 VAL A 10 -0.055 -3.292 3.823 1.00 0.00 C ATOM 0 H VAL A 10 2.842 -4.254 4.183 1.00 0.00 H new ATOM 0 HA VAL A 10 0.755 -4.357 6.262 1.00 0.00 H new ATOM 0 HB VAL A 10 0.664 -5.244 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.766 -5.398 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.867 -6.506 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.534 -4.992 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.759 -3.262 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.478 -2.763 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.878 -2.813 3.526 1.00 0.00 H new ATOM 131 N TYR A 11 1.253 -6.705 6.899 1.00 0.00 N ATOM 132 CA TYR A 11 1.517 -8.084 7.293 1.00 0.00 C ATOM 133 C TYR A 11 0.247 -8.925 7.189 1.00 0.00 C ATOM 134 O TYR A 11 -0.720 -8.695 7.916 1.00 0.00 O ATOM 135 CB TYR A 11 2.037 -8.113 8.734 1.00 0.00 C ATOM 136 CG TYR A 11 3.271 -8.962 8.936 1.00 0.00 C ATOM 137 CD1 TYR A 11 4.524 -8.510 8.541 1.00 0.00 C ATOM 138 CD2 TYR A 11 3.182 -10.212 9.535 1.00 0.00 C ATOM 139 CE1 TYR A 11 5.653 -9.281 8.736 1.00 0.00 C ATOM 140 CE2 TYR A 11 4.307 -10.990 9.732 1.00 0.00 C ATOM 141 CZ TYR A 11 5.540 -10.519 9.331 1.00 0.00 C ATOM 142 OH TYR A 11 6.663 -11.290 9.529 1.00 0.00 O ATOM 0 H TYR A 11 0.843 -6.126 7.632 1.00 0.00 H new ATOM 0 HA TYR A 11 2.267 -8.503 6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.257 -7.093 9.048 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.245 -8.483 9.386 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.617 -7.541 8.074 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.218 -10.582 9.852 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.620 -8.915 8.424 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.221 -11.961 10.197 1.00 0.00 H new ATOM 0 HH TYR A 11 6.539 -11.850 10.324 1.00 0.00 H new ATOM 152 N VAL A 12 0.258 -9.907 6.293 1.00 0.00 N ATOM 153 CA VAL A 12 -0.891 -10.786 6.113 1.00 0.00 C ATOM 154 C VAL A 12 -0.520 -12.248 6.348 1.00 0.00 C ATOM 155 O VAL A 12 0.177 -12.858 5.537 1.00 0.00 O ATOM 156 CB VAL A 12 -1.520 -10.624 4.714 1.00 0.00 C ATOM 157 CG1 VAL A 12 -2.844 -11.367 4.636 1.00 0.00 C ATOM 158 CG2 VAL A 12 -1.708 -9.149 4.387 1.00 0.00 C ATOM 0 H VAL A 12 1.048 -10.113 5.682 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.629 -10.490 6.858 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.844 -11.056 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.274 -11.242 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.678 -12.427 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.531 -10.966 5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.153 -9.050 3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.365 -8.693 5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.741 -8.647 4.402 1.00 0.00 H new ATOM 168 N GLY A 13 -0.993 -12.810 7.457 1.00 0.00 N ATOM 169 CA GLY A 13 -0.705 -14.202 7.772 1.00 0.00 C ATOM 170 C GLY A 13 0.767 -14.553 7.631 1.00 0.00 C ATOM 171 O GLY A 13 1.625 -13.919 8.245 1.00 0.00 O ATOM 0 H GLY A 13 -1.571 -12.327 8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.026 -14.411 8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.290 -14.846 7.115 1.00 0.00 H new ATOM 175 N ASN A 14 1.057 -15.571 6.823 1.00 0.00 N ATOM 176 CA ASN A 14 2.433 -16.013 6.605 1.00 0.00 C ATOM 177 C ASN A 14 3.055 -15.323 5.390 1.00 0.00 C ATOM 178 O ASN A 14 4.066 -15.779 4.857 1.00 0.00 O ATOM 179 CB ASN A 14 2.479 -17.530 6.418 1.00 0.00 C ATOM 180 CG ASN A 14 1.726 -18.269 7.507 1.00 0.00 C ATOM 181 OD1 ASN A 14 0.536 -18.041 7.719 1.00 0.00 O ATOM 182 ND2 ASN A 14 2.421 -19.160 8.204 1.00 0.00 N ATOM 0 H ASN A 14 0.357 -16.105 6.308 1.00 0.00 H new ATOM 0 HA ASN A 14 3.013 -15.739 7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.054 -17.787 5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.517 -17.861 6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.969 -19.688 8.950 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.407 -19.316 7.993 1.00 0.00 H new ATOM 189 N TYR A 15 2.451 -14.219 4.967 1.00 0.00 N ATOM 190 CA TYR A 15 2.942 -13.454 3.826 1.00 0.00 C ATOM 191 C TYR A 15 3.044 -11.979 4.203 1.00 0.00 C ATOM 192 O TYR A 15 2.212 -11.468 4.954 1.00 0.00 O ATOM 193 CB TYR A 15 1.992 -13.596 2.635 1.00 0.00 C ATOM 194 CG TYR A 15 2.152 -14.872 1.835 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.343 -15.591 1.829 1.00 0.00 C ATOM 196 CD2 TYR A 15 1.094 -15.356 1.080 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.467 -16.751 1.091 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.212 -16.514 0.343 1.00 0.00 C ATOM 199 CZ TYR A 15 2.400 -17.209 0.350 1.00 0.00 C ATOM 200 OH TYR A 15 2.521 -18.366 -0.384 1.00 0.00 O ATOM 0 H TYR A 15 1.614 -13.831 5.401 1.00 0.00 H new ATOM 0 HA TYR A 15 3.924 -13.839 3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.966 -13.540 2.999 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.140 -12.746 1.968 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.182 -15.237 2.410 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.160 -14.815 1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.398 -17.298 1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.376 -16.875 -0.238 1.00 0.00 H new ATOM 0 HH TYR A 15 1.677 -18.549 -0.848 1.00 0.00 H new ATOM 210 N LYS A 16 4.051 -11.294 3.681 1.00 0.00 N ATOM 211 CA LYS A 16 4.227 -9.876 3.974 1.00 0.00 C ATOM 212 C LYS A 16 4.512 -9.087 2.702 1.00 0.00 C ATOM 213 O LYS A 16 5.519 -9.316 2.033 1.00 0.00 O ATOM 214 CB LYS A 16 5.362 -9.668 4.975 1.00 0.00 C ATOM 215 CG LYS A 16 5.509 -8.224 5.425 1.00 0.00 C ATOM 216 CD LYS A 16 6.838 -7.990 6.122 1.00 0.00 C ATOM 217 CE LYS A 16 7.857 -7.364 5.185 1.00 0.00 C ATOM 218 NZ LYS A 16 9.194 -7.230 5.827 1.00 0.00 N ATOM 0 H LYS A 16 4.754 -11.691 3.058 1.00 0.00 H new ATOM 0 HA LYS A 16 3.298 -9.511 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.187 -10.297 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.299 -9.999 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.428 -7.563 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.693 -7.968 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.688 -7.340 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.223 -8.937 6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.946 -7.974 4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.505 -6.381 4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.710 -6.438 5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.074 -7.049 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.733 -8.109 5.693 1.00 0.00 H new ATOM 232 N VAL A 17 3.625 -8.150 2.377 1.00 0.00 N ATOM 233 CA VAL A 17 3.800 -7.327 1.186 1.00 0.00 C ATOM 234 C VAL A 17 4.270 -5.924 1.571 1.00 0.00 C ATOM 235 O VAL A 17 3.615 -5.223 2.342 1.00 0.00 O ATOM 236 CB VAL A 17 2.503 -7.258 0.327 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.594 -8.443 0.619 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.743 -5.953 0.532 1.00 0.00 C ATOM 0 H VAL A 17 2.785 -7.943 2.917 1.00 0.00 H new ATOM 0 HA VAL A 17 4.567 -7.799 0.572 1.00 0.00 H new ATOM 0 HB VAL A 17 2.816 -7.298 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.695 -8.372 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.119 -9.370 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.316 -8.438 1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.847 -5.953 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.459 -5.858 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.379 -5.114 0.251 1.00 0.00 H new ATOM 248 N VAL A 18 5.420 -5.535 1.034 1.00 0.00 N ATOM 249 CA VAL A 18 6.002 -4.229 1.318 1.00 0.00 C ATOM 250 C VAL A 18 6.522 -3.573 0.044 1.00 0.00 C ATOM 251 O VAL A 18 6.736 -4.245 -0.962 1.00 0.00 O ATOM 252 CB VAL A 18 7.156 -4.340 2.337 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.312 -5.142 1.757 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.621 -2.959 2.774 1.00 0.00 C ATOM 0 H VAL A 18 5.971 -6.109 0.396 1.00 0.00 H new ATOM 0 HA VAL A 18 5.210 -3.612 1.743 1.00 0.00 H new ATOM 0 HB VAL A 18 6.786 -4.868 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.114 -5.208 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.968 -6.145 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.683 -4.648 0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.435 -3.059 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.970 -2.401 1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.791 -2.426 3.238 1.00 0.00 H new ATOM 264 N ASN A 19 6.735 -2.261 0.086 1.00 0.00 N ATOM 265 CA ASN A 19 7.250 -1.547 -1.075 1.00 0.00 C ATOM 266 C ASN A 19 8.598 -2.137 -1.485 1.00 0.00 C ATOM 267 O ASN A 19 9.403 -2.510 -0.630 1.00 0.00 O ATOM 268 CB ASN A 19 7.396 -0.055 -0.766 1.00 0.00 C ATOM 269 CG ASN A 19 6.443 0.799 -1.578 1.00 0.00 C ATOM 270 OD1 ASN A 19 6.661 1.035 -2.766 1.00 0.00 O ATOM 271 ND2 ASN A 19 5.378 1.269 -0.939 1.00 0.00 N ATOM 0 H ASN A 19 6.561 -1.676 0.903 1.00 0.00 H new ATOM 0 HA ASN A 19 6.545 -1.658 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.215 0.113 0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.421 0.257 -0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.702 1.850 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.236 1.049 0.047 1.00 0.00 H new ATOM 278 N ARG A 20 8.838 -2.240 -2.787 1.00 0.00 N ATOM 279 CA ARG A 20 10.088 -2.810 -3.283 1.00 0.00 C ATOM 280 C ARG A 20 11.294 -2.062 -2.725 1.00 0.00 C ATOM 281 O ARG A 20 12.242 -2.671 -2.229 1.00 0.00 O ATOM 282 CB ARG A 20 10.118 -2.772 -4.813 1.00 0.00 C ATOM 283 CG ARG A 20 9.493 -3.994 -5.467 1.00 0.00 C ATOM 284 CD ARG A 20 9.974 -4.176 -6.899 1.00 0.00 C ATOM 285 NE ARG A 20 9.955 -2.922 -7.653 1.00 0.00 N ATOM 286 CZ ARG A 20 11.004 -2.111 -7.781 1.00 0.00 C ATOM 287 NH1 ARG A 20 12.164 -2.409 -7.207 1.00 0.00 N ATOM 288 NH2 ARG A 20 10.893 -0.995 -8.489 1.00 0.00 N ATOM 0 H ARG A 20 8.190 -1.939 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 20 10.140 -3.846 -2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.594 -1.880 -5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.152 -2.682 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.738 -4.883 -4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.407 -3.896 -5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.987 -4.578 -6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.344 -4.910 -7.402 1.00 0.00 H new ATOM 0 HE ARG A 20 9.084 -2.652 -8.109 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.258 -3.266 -6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.961 -1.781 -7.311 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.006 -0.759 -8.934 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.695 -0.372 -8.589 1.00 0.00 H new ATOM 302 N HIS A 21 11.253 -0.740 -2.792 1.00 0.00 N ATOM 303 CA HIS A 21 12.348 0.076 -2.283 1.00 0.00 C ATOM 304 C HIS A 21 12.425 0.019 -0.757 1.00 0.00 C ATOM 305 O HIS A 21 13.363 0.545 -0.160 1.00 0.00 O ATOM 306 CB HIS A 21 12.185 1.526 -2.745 1.00 0.00 C ATOM 307 CG HIS A 21 13.115 1.905 -3.857 1.00 0.00 C ATOM 308 ND1 HIS A 21 14.440 1.523 -3.894 1.00 0.00 N ATOM 309 CD2 HIS A 21 12.906 2.635 -4.979 1.00 0.00 C ATOM 310 CE1 HIS A 21 15.005 2.001 -4.988 1.00 0.00 C ATOM 311 NE2 HIS A 21 14.095 2.679 -5.663 1.00 0.00 N ATOM 0 H HIS A 21 10.478 -0.210 -3.191 1.00 0.00 H new ATOM 0 HA HIS A 21 13.278 -0.327 -2.683 1.00 0.00 H new ATOM 0 HB2 HIS A 21 11.157 1.682 -3.072 1.00 0.00 H new ATOM 0 HB3 HIS A 21 12.354 2.191 -1.898 1.00 0.00 H new ATOM 0 HD2 HIS A 21 11.977 3.096 -5.279 1.00 0.00 H new ATOM 0 HE1 HIS A 21 16.035 1.861 -5.280 1.00 0.00 H new ATOM 0 HE2 HIS A 21 14.251 3.158 -6.550 1.00 0.00 H new ATOM 320 N LEU A 22 11.430 -0.606 -0.126 1.00 0.00 N ATOM 321 CA LEU A 22 11.403 -0.702 1.328 1.00 0.00 C ATOM 322 C LEU A 22 11.523 -2.144 1.826 1.00 0.00 C ATOM 323 O LEU A 22 11.406 -2.388 3.028 1.00 0.00 O ATOM 324 CB LEU A 22 10.115 -0.078 1.868 1.00 0.00 C ATOM 325 CG LEU A 22 10.273 0.698 3.178 1.00 0.00 C ATOM 326 CD1 LEU A 22 10.814 2.094 2.910 1.00 0.00 C ATOM 327 CD2 LEU A 22 8.944 0.772 3.915 1.00 0.00 C ATOM 0 H LEU A 22 10.641 -1.048 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 22 12.270 -0.157 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.710 0.594 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.381 -0.869 2.018 1.00 0.00 H new ATOM 0 HG LEU A 22 10.988 0.169 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.920 2.631 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.787 2.020 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.124 2.633 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.074 1.327 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.209 1.278 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.596 -0.236 4.140 1.00 0.00 H new ATOM 339 N ALA A 23 11.751 -3.104 0.928 1.00 0.00 N ATOM 340 CA ALA A 23 11.871 -4.494 1.353 1.00 0.00 C ATOM 341 C ALA A 23 13.312 -4.845 1.702 1.00 0.00 C ATOM 342 O ALA A 23 14.237 -4.549 0.944 1.00 0.00 O ATOM 343 CB ALA A 23 11.336 -5.434 0.285 1.00 0.00 C ATOM 0 H ALA A 23 11.854 -2.948 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 23 11.269 -4.617 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.436 -6.465 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.285 -5.213 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.903 -5.299 -0.636 1.00 0.00 H new ATOM 349 N THR A 24 13.496 -5.479 2.857 1.00 0.00 N ATOM 350 CA THR A 24 14.823 -5.874 3.311 1.00 0.00 C ATOM 351 C THR A 24 15.318 -7.082 2.524 1.00 0.00 C ATOM 352 O THR A 24 14.532 -7.781 1.887 1.00 0.00 O ATOM 353 CB THR A 24 14.802 -6.198 4.806 1.00 0.00 C ATOM 354 OG1 THR A 24 14.029 -7.358 5.057 1.00 0.00 O ATOM 355 CG2 THR A 24 14.237 -5.077 5.652 1.00 0.00 C ATOM 0 H THR A 24 12.741 -5.730 3.495 1.00 0.00 H new ATOM 0 HA THR A 24 15.505 -5.041 3.141 1.00 0.00 H new ATOM 0 HB THR A 24 15.845 -6.352 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.029 -7.550 6.018 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.250 -5.371 6.702 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.842 -4.180 5.519 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.211 -4.872 5.346 1.00 0.00 H new ATOM 363 N HIS A 25 16.624 -7.325 2.573 1.00 0.00 N ATOM 364 CA HIS A 25 17.216 -8.447 1.852 1.00 0.00 C ATOM 365 C HIS A 25 16.515 -9.752 2.208 1.00 0.00 C ATOM 366 O HIS A 25 16.438 -10.667 1.389 1.00 0.00 O ATOM 367 CB HIS A 25 18.708 -8.555 2.167 1.00 0.00 C ATOM 368 CG HIS A 25 19.518 -9.108 1.036 1.00 0.00 C ATOM 369 ND1 HIS A 25 20.761 -9.681 1.208 1.00 0.00 N ATOM 370 CD2 HIS A 25 19.255 -9.176 -0.291 1.00 0.00 C ATOM 371 CE1 HIS A 25 21.227 -10.075 0.036 1.00 0.00 C ATOM 372 NE2 HIS A 25 20.333 -9.781 -0.888 1.00 0.00 N ATOM 0 H HIS A 25 17.290 -6.763 3.102 1.00 0.00 H new ATOM 0 HA HIS A 25 17.090 -8.266 0.785 1.00 0.00 H new ATOM 0 HB2 HIS A 25 19.089 -7.567 2.427 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.841 -9.189 3.043 1.00 0.00 H new ATOM 0 HD2 HIS A 25 18.364 -8.821 -0.787 1.00 0.00 H new ATOM 0 HE1 HIS A 25 22.178 -10.556 -0.136 1.00 0.00 H new ATOM 0 HE2 HIS A 25 20.427 -9.972 -1.885 1.00 0.00 H new ATOM 381 N VAL A 26 15.994 -9.825 3.426 1.00 0.00 N ATOM 382 CA VAL A 26 15.290 -11.015 3.881 1.00 0.00 C ATOM 383 C VAL A 26 13.960 -11.174 3.150 1.00 0.00 C ATOM 384 O VAL A 26 13.507 -12.293 2.904 1.00 0.00 O ATOM 385 CB VAL A 26 15.030 -10.973 5.398 1.00 0.00 C ATOM 386 CG1 VAL A 26 14.423 -12.284 5.874 1.00 0.00 C ATOM 387 CG2 VAL A 26 16.315 -10.668 6.153 1.00 0.00 C ATOM 0 H VAL A 26 16.046 -9.075 4.115 1.00 0.00 H new ATOM 0 HA VAL A 26 15.931 -11.868 3.658 1.00 0.00 H new ATOM 0 HB VAL A 26 14.317 -10.174 5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.247 -12.234 6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 26 13.478 -12.456 5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.109 -13.103 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.111 -10.643 7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.053 -11.442 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.703 -9.701 5.835 1.00 0.00 H new ATOM 397 N ASP A 27 13.343 -10.049 2.789 1.00 0.00 N ATOM 398 CA ASP A 27 12.078 -10.078 2.076 1.00 0.00 C ATOM 399 C ASP A 27 12.301 -10.643 0.690 1.00 0.00 C ATOM 400 O ASP A 27 11.541 -11.487 0.218 1.00 0.00 O ATOM 401 CB ASP A 27 11.481 -8.671 1.982 1.00 0.00 C ATOM 402 CG ASP A 27 10.651 -8.311 3.200 1.00 0.00 C ATOM 403 OD1 ASP A 27 9.997 -9.215 3.760 1.00 0.00 O ATOM 404 OD2 ASP A 27 10.658 -7.126 3.593 1.00 0.00 O ATOM 0 H ASP A 27 13.701 -9.113 2.980 1.00 0.00 H new ATOM 0 HA ASP A 27 11.376 -10.710 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.286 -7.945 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.860 -8.602 1.089 1.00 0.00 H new ATOM 409 N TRP A 28 13.370 -10.180 0.053 1.00 0.00 N ATOM 410 CA TRP A 28 13.720 -10.647 -1.275 1.00 0.00 C ATOM 411 C TRP A 28 14.288 -12.061 -1.214 1.00 0.00 C ATOM 412 O TRP A 28 14.144 -12.842 -2.155 1.00 0.00 O ATOM 413 CB TRP A 28 14.715 -9.697 -1.943 1.00 0.00 C ATOM 414 CG TRP A 28 14.225 -8.284 -1.999 1.00 0.00 C ATOM 415 CD1 TRP A 28 14.103 -7.427 -0.949 1.00 0.00 C ATOM 416 CD2 TRP A 28 13.778 -7.566 -3.155 1.00 0.00 C ATOM 417 NE1 TRP A 28 13.621 -6.220 -1.374 1.00 0.00 N ATOM 418 CE2 TRP A 28 13.407 -6.279 -2.721 1.00 0.00 C ATOM 419 CE3 TRP A 28 13.656 -7.878 -4.511 1.00 0.00 C ATOM 420 CZ2 TRP A 28 12.922 -5.310 -3.584 1.00 0.00 C ATOM 421 CZ3 TRP A 28 13.172 -6.912 -5.374 1.00 0.00 C ATOM 422 CH2 TRP A 28 12.809 -5.641 -4.908 1.00 0.00 C ATOM 0 H TRP A 28 14.007 -9.482 0.438 1.00 0.00 H new ATOM 0 HA TRP A 28 12.812 -10.666 -1.878 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.659 -9.727 -1.399 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.919 -10.046 -2.955 1.00 0.00 H new ATOM 0 HD1 TRP A 28 14.352 -7.666 0.074 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.449 -5.408 -0.781 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.934 -8.855 -4.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.643 -4.330 -3.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 13.072 -7.141 -6.425 1.00 0.00 H new ATOM 0 HH2 TRP A 28 12.433 -4.908 -5.607 1.00 0.00 H new ATOM 433 N GLN A 29 14.932 -12.386 -0.096 1.00 0.00 N ATOM 434 CA GLN A 29 15.518 -13.708 0.094 1.00 0.00 C ATOM 435 C GLN A 29 14.450 -14.788 -0.018 1.00 0.00 C ATOM 436 O GLN A 29 14.657 -15.818 -0.661 1.00 0.00 O ATOM 437 CB GLN A 29 16.202 -13.795 1.461 1.00 0.00 C ATOM 438 CG GLN A 29 17.502 -14.582 1.444 1.00 0.00 C ATOM 439 CD GLN A 29 18.577 -13.915 0.609 1.00 0.00 C ATOM 440 OE1 GLN A 29 18.291 -13.044 -0.212 1.00 0.00 O ATOM 441 NE2 GLN A 29 19.824 -14.321 0.816 1.00 0.00 N ATOM 0 H GLN A 29 15.061 -11.751 0.692 1.00 0.00 H new ATOM 0 HA GLN A 29 16.262 -13.867 -0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.403 -12.786 1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.517 -14.257 2.172 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.863 -14.702 2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.312 -15.582 1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 29 20.016 -15.046 1.507 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.590 -13.908 0.284 1.00 0.00 H new ATOM 450 N ASN A 30 13.305 -14.543 0.610 1.00 0.00 N ATOM 451 CA ASN A 30 12.199 -15.492 0.581 1.00 0.00 C ATOM 452 C ASN A 30 10.972 -14.875 -0.083 1.00 0.00 C ATOM 453 O ASN A 30 9.837 -15.220 0.245 1.00 0.00 O ATOM 454 CB ASN A 30 11.856 -15.949 2.002 1.00 0.00 C ATOM 455 CG ASN A 30 12.243 -17.392 2.255 1.00 0.00 C ATOM 456 OD1 ASN A 30 12.079 -18.252 1.390 1.00 0.00 O ATOM 457 ND2 ASN A 30 12.760 -17.665 3.448 1.00 0.00 N ATOM 0 H ASN A 30 13.119 -13.695 1.145 1.00 0.00 H new ATOM 0 HA ASN A 30 12.507 -16.358 -0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.367 -15.308 2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.786 -15.828 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.039 -18.619 3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.878 -16.920 4.135 1.00 0.00 H new ATOM 464 N CYS A 31 11.206 -13.960 -1.021 1.00 0.00 N ATOM 465 CA CYS A 31 10.113 -13.300 -1.726 1.00 0.00 C ATOM 466 C CYS A 31 9.392 -14.274 -2.645 1.00 0.00 C ATOM 467 O CYS A 31 10.000 -14.878 -3.529 1.00 0.00 O ATOM 468 CB CYS A 31 10.630 -12.114 -2.543 1.00 0.00 C ATOM 469 SG CYS A 31 11.800 -12.569 -3.844 1.00 0.00 S ATOM 0 H CYS A 31 12.138 -13.661 -1.308 1.00 0.00 H new ATOM 0 HA CYS A 31 9.411 -12.936 -0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.782 -11.601 -2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.110 -11.404 -1.869 1.00 0.00 H new ATOM 0 HG CYS A 31 13.014 -12.465 -3.392 1.00 0.00 H new ATOM 475 N VAL A 32 8.090 -14.413 -2.438 1.00 0.00 N ATOM 476 CA VAL A 32 7.280 -15.302 -3.253 1.00 0.00 C ATOM 477 C VAL A 32 6.801 -14.583 -4.511 1.00 0.00 C ATOM 478 O VAL A 32 6.773 -15.164 -5.596 1.00 0.00 O ATOM 479 CB VAL A 32 6.063 -15.835 -2.471 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.507 -16.779 -1.365 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.253 -14.688 -1.891 1.00 0.00 C ATOM 0 H VAL A 32 7.573 -13.919 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 32 7.907 -16.149 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 32 5.431 -16.388 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.633 -17.144 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.043 -17.623 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.164 -16.248 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.399 -15.086 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.879 -14.106 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.899 -14.047 -2.699 1.00 0.00 H new ATOM 491 N TRP A 33 6.428 -13.312 -4.360 1.00 0.00 N ATOM 492 CA TRP A 33 5.957 -12.518 -5.495 1.00 0.00 C ATOM 493 C TRP A 33 6.503 -11.090 -5.432 1.00 0.00 C ATOM 494 O TRP A 33 6.802 -10.576 -4.354 1.00 0.00 O ATOM 495 CB TRP A 33 4.422 -12.516 -5.540 1.00 0.00 C ATOM 496 CG TRP A 33 3.822 -11.282 -6.149 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.437 -11.102 -7.448 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.543 -10.054 -5.475 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.934 -9.832 -7.619 1.00 0.00 N ATOM 500 CE2 TRP A 33 2.990 -9.170 -6.420 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.709 -9.620 -4.162 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.603 -7.874 -6.082 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.326 -8.337 -3.831 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.778 -7.480 -4.789 1.00 0.00 C ATOM 0 H TRP A 33 6.442 -12.813 -3.470 1.00 0.00 H new ATOM 0 HA TRP A 33 6.330 -12.974 -6.412 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.086 -13.386 -6.105 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.041 -12.628 -4.525 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.516 -11.847 -8.226 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.578 -9.447 -8.494 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.131 -10.277 -3.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.180 -7.206 -6.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.452 -7.990 -2.816 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.486 -6.482 -4.498 1.00 0.00 H new ATOM 515 N GLU A 34 6.628 -10.457 -6.596 1.00 0.00 N ATOM 516 CA GLU A 34 7.134 -9.089 -6.679 1.00 0.00 C ATOM 517 C GLU A 34 6.738 -8.438 -8.003 1.00 0.00 C ATOM 518 O GLU A 34 7.160 -8.879 -9.072 1.00 0.00 O ATOM 519 CB GLU A 34 8.657 -9.077 -6.526 1.00 0.00 C ATOM 520 CG GLU A 34 9.267 -7.687 -6.610 1.00 0.00 C ATOM 521 CD GLU A 34 10.114 -7.496 -7.853 1.00 0.00 C ATOM 522 OE1 GLU A 34 9.886 -8.221 -8.845 1.00 0.00 O ATOM 523 OE2 GLU A 34 11.005 -6.621 -7.836 1.00 0.00 O ATOM 0 H GLU A 34 6.385 -10.870 -7.496 1.00 0.00 H new ATOM 0 HA GLU A 34 6.689 -8.514 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.921 -9.523 -5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.096 -9.705 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.470 -6.943 -6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.880 -7.509 -5.726 1.00 0.00 H new ATOM 530 N ASP A 35 5.925 -7.386 -7.925 1.00 0.00 N ATOM 531 CA ASP A 35 5.474 -6.676 -9.120 1.00 0.00 C ATOM 532 C ASP A 35 6.160 -5.317 -9.245 1.00 0.00 C ATOM 533 O ASP A 35 6.003 -4.447 -8.387 1.00 0.00 O ATOM 534 CB ASP A 35 3.956 -6.493 -9.089 1.00 0.00 C ATOM 535 CG ASP A 35 3.231 -7.546 -9.904 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.787 -7.986 -10.933 1.00 0.00 O ATOM 537 OD2 ASP A 35 2.108 -7.930 -9.515 1.00 0.00 O ATOM 0 H ASP A 35 5.566 -7.007 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 35 5.744 -7.277 -9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.609 -6.534 -8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.704 -5.504 -9.471 1.00 0.00 H new ATOM 542 N TYR A 36 6.922 -5.143 -10.322 1.00 0.00 N ATOM 543 CA TYR A 36 7.637 -3.894 -10.566 1.00 0.00 C ATOM 544 C TYR A 36 6.671 -2.723 -10.728 1.00 0.00 C ATOM 545 O TYR A 36 6.846 -1.675 -10.107 1.00 0.00 O ATOM 546 CB TYR A 36 8.514 -4.021 -11.813 1.00 0.00 C ATOM 547 CG TYR A 36 9.650 -3.025 -11.858 1.00 0.00 C ATOM 548 CD1 TYR A 36 9.403 -1.666 -12.007 1.00 0.00 C ATOM 549 CD2 TYR A 36 10.972 -3.444 -11.753 1.00 0.00 C ATOM 550 CE1 TYR A 36 10.440 -0.753 -12.049 1.00 0.00 C ATOM 551 CE2 TYR A 36 12.013 -2.536 -11.795 1.00 0.00 C ATOM 552 CZ TYR A 36 11.742 -1.192 -11.943 1.00 0.00 C ATOM 553 OH TYR A 36 12.777 -0.287 -11.984 1.00 0.00 O ATOM 0 H TYR A 36 7.060 -5.853 -11.041 1.00 0.00 H new ATOM 0 HA TYR A 36 8.268 -3.697 -9.699 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.924 -5.030 -11.857 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.892 -3.891 -12.699 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.384 -1.317 -12.091 1.00 0.00 H new ATOM 0 HD2 TYR A 36 11.189 -4.496 -11.637 1.00 0.00 H new ATOM 0 HE1 TYR A 36 10.231 0.300 -12.164 1.00 0.00 H new ATOM 0 HE2 TYR A 36 13.034 -2.877 -11.712 1.00 0.00 H new ATOM 0 HH TYR A 36 13.630 -0.761 -11.895 1.00 0.00 H new ATOM 563 N ASN A 37 5.654 -2.904 -11.565 1.00 0.00 N ATOM 564 CA ASN A 37 4.667 -1.860 -11.806 1.00 0.00 C ATOM 565 C ASN A 37 3.952 -1.470 -10.515 1.00 0.00 C ATOM 566 O ASN A 37 3.353 -0.399 -10.427 1.00 0.00 O ATOM 567 CB ASN A 37 3.647 -2.323 -12.848 1.00 0.00 C ATOM 568 CG ASN A 37 4.034 -1.915 -14.256 1.00 0.00 C ATOM 569 OD1 ASN A 37 5.182 -1.554 -14.517 1.00 0.00 O ATOM 570 ND2 ASN A 37 3.074 -1.968 -15.172 1.00 0.00 N ATOM 0 H ASN A 37 5.493 -3.765 -12.088 1.00 0.00 H new ATOM 0 HA ASN A 37 5.192 -0.983 -12.185 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.550 -3.408 -12.801 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.670 -1.905 -12.607 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.274 -1.703 -16.137 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.136 -2.273 -14.911 1.00 0.00 H new ATOM 577 N ARG A 38 4.017 -2.343 -9.514 1.00 0.00 N ATOM 578 CA ARG A 38 3.373 -2.078 -8.234 1.00 0.00 C ATOM 579 C ARG A 38 4.403 -1.778 -7.147 1.00 0.00 C ATOM 580 O ARG A 38 4.043 -1.392 -6.034 1.00 0.00 O ATOM 581 CB ARG A 38 2.510 -3.272 -7.819 1.00 0.00 C ATOM 582 CG ARG A 38 1.034 -3.092 -8.129 1.00 0.00 C ATOM 583 CD ARG A 38 0.735 -3.365 -9.595 1.00 0.00 C ATOM 584 NE ARG A 38 0.799 -4.790 -9.911 1.00 0.00 N ATOM 585 CZ ARG A 38 0.181 -5.350 -10.949 1.00 0.00 C ATOM 586 NH1 ARG A 38 -0.550 -4.610 -11.774 1.00 0.00 N ATOM 587 NH2 ARG A 38 0.294 -6.654 -11.163 1.00 0.00 N ATOM 0 H ARG A 38 4.507 -3.236 -9.565 1.00 0.00 H new ATOM 0 HA ARG A 38 2.739 -1.200 -8.354 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.873 -4.166 -8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.630 -3.442 -6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.445 -3.765 -7.505 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.730 -2.076 -7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.256 -2.984 -9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.447 -2.823 -10.217 1.00 0.00 H new ATOM 0 HE ARG A 38 1.350 -5.392 -9.300 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.641 -3.607 -11.614 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.021 -5.045 -12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.854 -7.228 -10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.179 -7.083 -11.958 1.00 0.00 H new ATOM 601 N ASP A 39 5.686 -1.961 -7.465 1.00 0.00 N ATOM 602 CA ASP A 39 6.752 -1.712 -6.500 1.00 0.00 C ATOM 603 C ASP A 39 6.441 -2.408 -5.180 1.00 0.00 C ATOM 604 O ASP A 39 6.603 -1.832 -4.104 1.00 0.00 O ATOM 605 CB ASP A 39 6.926 -0.209 -6.274 1.00 0.00 C ATOM 606 CG ASP A 39 8.324 0.150 -5.811 1.00 0.00 C ATOM 607 OD1 ASP A 39 9.289 -0.153 -6.544 1.00 0.00 O ATOM 608 OD2 ASP A 39 8.454 0.733 -4.714 1.00 0.00 O ATOM 0 H ASP A 39 6.008 -2.279 -8.379 1.00 0.00 H new ATOM 0 HA ASP A 39 7.683 -2.115 -6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.706 0.322 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.203 0.130 -5.532 1.00 0.00 H new ATOM 613 N LEU A 40 5.972 -3.646 -5.279 1.00 0.00 N ATOM 614 CA LEU A 40 5.610 -4.428 -4.106 1.00 0.00 C ATOM 615 C LEU A 40 6.105 -5.868 -4.230 1.00 0.00 C ATOM 616 O LEU A 40 6.277 -6.381 -5.336 1.00 0.00 O ATOM 617 CB LEU A 40 4.089 -4.407 -3.938 1.00 0.00 C ATOM 618 CG LEU A 40 3.561 -4.922 -2.599 1.00 0.00 C ATOM 619 CD1 LEU A 40 3.922 -3.958 -1.480 1.00 0.00 C ATOM 620 CD2 LEU A 40 2.051 -5.123 -2.669 1.00 0.00 C ATOM 0 H LEU A 40 5.833 -4.131 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 40 6.085 -3.987 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.741 -3.383 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.646 -5.003 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 40 4.028 -5.884 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.539 -4.339 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.006 -3.860 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.480 -2.982 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.688 -5.490 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.568 -4.174 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.816 -5.849 -3.447 1.00 0.00 H new ATOM 632 N LEU A 41 6.324 -6.519 -3.090 1.00 0.00 N ATOM 633 CA LEU A 41 6.789 -7.903 -3.075 1.00 0.00 C ATOM 634 C LEU A 41 6.324 -8.626 -1.814 1.00 0.00 C ATOM 635 O LEU A 41 6.366 -8.076 -0.713 1.00 0.00 O ATOM 636 CB LEU A 41 8.327 -7.998 -3.233 1.00 0.00 C ATOM 637 CG LEU A 41 9.214 -7.245 -2.214 1.00 0.00 C ATOM 638 CD1 LEU A 41 10.466 -6.734 -2.897 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.479 -6.085 -1.562 1.00 0.00 C ATOM 0 H LEU A 41 6.187 -6.110 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 41 6.343 -8.401 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.601 -9.052 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.582 -7.636 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 41 9.480 -7.953 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.085 -6.205 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.025 -7.575 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.189 -6.054 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.141 -5.586 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.166 -5.376 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.602 -6.460 -1.035 1.00 0.00 H new ATOM 651 N VAL A 42 5.871 -9.866 -1.990 1.00 0.00 N ATOM 652 CA VAL A 42 5.390 -10.670 -0.874 1.00 0.00 C ATOM 653 C VAL A 42 6.452 -11.665 -0.442 1.00 0.00 C ATOM 654 O VAL A 42 7.009 -12.394 -1.267 1.00 0.00 O ATOM 655 CB VAL A 42 4.083 -11.436 -1.222 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.782 -12.539 -0.205 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.904 -10.477 -1.308 1.00 0.00 C ATOM 0 H VAL A 42 5.828 -10.333 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 42 5.172 -9.980 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 42 4.235 -11.906 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.861 -13.050 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.604 -13.255 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.667 -12.099 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.999 -11.034 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.773 -9.975 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.094 -9.735 -2.084 1.00 0.00 H new ATOM 667 N SER A 43 6.705 -11.693 0.858 1.00 0.00 N ATOM 668 CA SER A 43 7.676 -12.601 1.442 1.00 0.00 C ATOM 669 C SER A 43 6.999 -13.449 2.507 1.00 0.00 C ATOM 670 O SER A 43 5.955 -13.069 3.038 1.00 0.00 O ATOM 671 CB SER A 43 8.846 -11.822 2.045 1.00 0.00 C ATOM 672 OG SER A 43 8.558 -11.406 3.370 1.00 0.00 O ATOM 0 H SER A 43 6.243 -11.087 1.536 1.00 0.00 H new ATOM 0 HA SER A 43 8.070 -13.252 0.661 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.740 -12.445 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.063 -10.951 1.427 1.00 0.00 H new ATOM 0 HG SER A 43 9.236 -10.763 3.666 1.00 0.00 H new ATOM 678 N THR A 44 7.574 -14.603 2.810 1.00 0.00 N ATOM 679 CA THR A 44 6.989 -15.492 3.802 1.00 0.00 C ATOM 680 C THR A 44 7.643 -15.311 5.164 1.00 0.00 C ATOM 681 O THR A 44 8.866 -15.228 5.279 1.00 0.00 O ATOM 682 CB THR A 44 7.100 -16.938 3.336 1.00 0.00 C ATOM 683 OG1 THR A 44 8.434 -17.406 3.442 1.00 0.00 O ATOM 684 CG2 THR A 44 6.658 -17.112 1.904 1.00 0.00 C ATOM 0 H THR A 44 8.438 -14.944 2.387 1.00 0.00 H new ATOM 0 HA THR A 44 5.935 -15.237 3.910 1.00 0.00 H new ATOM 0 HB THR A 44 6.442 -17.514 3.986 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.479 -18.337 3.139 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.755 -18.159 1.618 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.617 -16.804 1.804 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.282 -16.499 1.254 1.00 0.00 H new ATOM 692 N THR A 45 6.805 -15.234 6.191 1.00 0.00 N ATOM 693 CA THR A 45 7.271 -15.042 7.557 1.00 0.00 C ATOM 694 C THR A 45 7.233 -16.353 8.338 1.00 0.00 C ATOM 695 O THR A 45 8.024 -16.562 9.257 1.00 0.00 O ATOM 696 CB THR A 45 6.414 -13.979 8.263 1.00 0.00 C ATOM 697 OG1 THR A 45 5.380 -14.584 9.020 1.00 0.00 O ATOM 698 CG2 THR A 45 5.762 -12.992 7.311 1.00 0.00 C ATOM 0 H THR A 45 5.791 -15.302 6.101 1.00 0.00 H new ATOM 0 HA THR A 45 8.305 -14.699 7.519 1.00 0.00 H new ATOM 0 HB THR A 45 7.111 -13.437 8.902 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.849 -13.889 9.462 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.174 -12.272 7.880 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.533 -12.466 6.748 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.111 -13.528 6.621 1.00 0.00 H new ATOM 706 N THR A 46 6.302 -17.229 7.971 1.00 0.00 N ATOM 707 CA THR A 46 6.156 -18.516 8.639 1.00 0.00 C ATOM 708 C THR A 46 5.693 -18.327 10.081 1.00 0.00 C ATOM 709 O THR A 46 6.035 -19.116 10.962 1.00 0.00 O ATOM 710 CB THR A 46 7.478 -19.288 8.612 1.00 0.00 C ATOM 711 OG1 THR A 46 8.152 -19.082 7.383 1.00 0.00 O ATOM 712 CG2 THR A 46 7.303 -20.780 8.795 1.00 0.00 C ATOM 0 H THR A 46 5.637 -17.070 7.214 1.00 0.00 H new ATOM 0 HA THR A 46 5.401 -19.091 8.103 1.00 0.00 H new ATOM 0 HB THR A 46 8.057 -18.901 9.451 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.995 -19.581 7.385 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.278 -21.267 8.766 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.828 -20.975 9.757 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.677 -21.174 7.995 1.00 0.00 H new ATOM 720 N ALA A 47 4.915 -17.275 10.312 1.00 0.00 N ATOM 721 CA ALA A 47 4.404 -16.979 11.646 1.00 0.00 C ATOM 722 C ALA A 47 2.982 -16.431 11.578 1.00 0.00 C ATOM 723 O ALA A 47 2.331 -16.495 10.535 1.00 0.00 O ATOM 724 CB ALA A 47 5.320 -15.991 12.352 1.00 0.00 C ATOM 0 H ALA A 47 4.624 -16.613 9.593 1.00 0.00 H new ATOM 0 HA ALA A 47 4.381 -17.908 12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.928 -15.778 13.347 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.319 -16.419 12.440 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.371 -15.067 11.776 1.00 0.00 H new ATOM 730 N HIS A 48 2.506 -15.893 12.696 1.00 0.00 N ATOM 731 CA HIS A 48 1.161 -15.333 12.763 1.00 0.00 C ATOM 732 C HIS A 48 1.098 -13.986 12.049 1.00 0.00 C ATOM 733 O HIS A 48 2.054 -13.212 12.078 1.00 0.00 O ATOM 734 CB HIS A 48 0.723 -15.178 14.221 1.00 0.00 C ATOM 735 CG HIS A 48 -0.548 -15.899 14.544 1.00 0.00 C ATOM 736 ND1 HIS A 48 -1.768 -15.553 14.001 1.00 0.00 N ATOM 737 CD2 HIS A 48 -0.787 -16.953 15.361 1.00 0.00 C ATOM 738 CE1 HIS A 48 -2.702 -16.363 14.470 1.00 0.00 C ATOM 739 NE2 HIS A 48 -2.132 -17.220 15.296 1.00 0.00 N ATOM 0 H HIS A 48 3.032 -15.833 13.568 1.00 0.00 H new ATOM 0 HA HIS A 48 0.480 -16.020 12.261 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.516 -15.548 14.871 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.597 -14.118 14.443 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.056 -17.484 15.953 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.752 -16.329 14.220 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.613 -17.962 15.804 1.00 0.00 H new ATOM 748 N GLY A 49 -0.035 -13.712 11.411 1.00 0.00 N ATOM 749 CA GLY A 49 -0.202 -12.459 10.700 1.00 0.00 C ATOM 750 C GLY A 49 -0.371 -11.280 11.638 1.00 0.00 C ATOM 751 O GLY A 49 0.291 -11.202 12.673 1.00 0.00 O ATOM 0 H GLY A 49 -0.841 -14.336 11.374 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.664 -12.289 10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.072 -12.528 10.047 1.00 0.00 H new ATOM 755 N CYS A 50 -1.259 -10.358 11.278 1.00 0.00 N ATOM 756 CA CYS A 50 -1.509 -9.179 12.099 1.00 0.00 C ATOM 757 C CYS A 50 -2.701 -8.384 11.569 1.00 0.00 C ATOM 758 O CYS A 50 -3.558 -7.949 12.338 1.00 0.00 O ATOM 759 CB CYS A 50 -0.265 -8.289 12.140 1.00 0.00 C ATOM 760 SG CYS A 50 0.727 -8.477 13.641 1.00 0.00 S ATOM 0 H CYS A 50 -1.816 -10.405 10.425 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.743 -9.515 13.109 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.358 -8.514 11.275 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.573 -7.247 12.049 1.00 0.00 H new ATOM 0 HG CYS A 50 0.937 -9.740 13.867 1.00 0.00 H new ATOM 766 N ASP A 51 -2.746 -8.195 10.254 1.00 0.00 N ATOM 767 CA ASP A 51 -3.831 -7.449 9.627 1.00 0.00 C ATOM 768 C ASP A 51 -4.630 -8.333 8.675 1.00 0.00 C ATOM 769 O ASP A 51 -4.174 -9.403 8.273 1.00 0.00 O ATOM 770 CB ASP A 51 -3.274 -6.241 8.870 1.00 0.00 C ATOM 771 CG ASP A 51 -2.470 -5.319 9.767 1.00 0.00 C ATOM 772 OD1 ASP A 51 -3.066 -4.718 10.687 1.00 0.00 O ATOM 773 OD2 ASP A 51 -1.247 -5.197 9.548 1.00 0.00 O ATOM 0 H ASP A 51 -2.045 -8.548 9.603 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.500 -7.103 10.416 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.644 -6.588 8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.098 -5.683 8.424 1.00 0.00 H new ATOM 778 N THR A 52 -5.827 -7.874 8.317 1.00 0.00 N ATOM 779 CA THR A 52 -6.694 -8.618 7.411 1.00 0.00 C ATOM 780 C THR A 52 -7.101 -7.752 6.223 1.00 0.00 C ATOM 781 O THR A 52 -7.680 -6.680 6.396 1.00 0.00 O ATOM 782 CB THR A 52 -7.941 -9.107 8.150 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.581 -9.898 9.269 1.00 0.00 O ATOM 784 CG2 THR A 52 -8.866 -9.933 7.283 1.00 0.00 C ATOM 0 H THR A 52 -6.218 -6.989 8.642 1.00 0.00 H new ATOM 0 HA THR A 52 -6.140 -9.480 7.041 1.00 0.00 H new ATOM 0 HB THR A 52 -8.468 -8.204 8.457 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.391 -10.200 9.730 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.730 -10.247 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.201 -9.335 6.435 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.335 -10.813 6.919 1.00 0.00 H new ATOM 792 N ILE A 53 -6.796 -8.221 5.018 1.00 0.00 N ATOM 793 CA ILE A 53 -7.134 -7.482 3.806 1.00 0.00 C ATOM 794 C ILE A 53 -8.621 -7.590 3.497 1.00 0.00 C ATOM 795 O ILE A 53 -9.219 -8.657 3.641 1.00 0.00 O ATOM 796 CB ILE A 53 -6.351 -7.974 2.570 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.964 -8.520 2.964 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.247 -6.851 1.544 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.798 -7.910 2.207 1.00 0.00 C ATOM 0 H ILE A 53 -6.317 -9.106 4.854 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.859 -6.446 4.006 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.895 -8.803 2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.813 -8.352 4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.956 -9.599 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.693 -7.203 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.247 -6.544 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.726 -6.002 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.866 -8.357 2.553 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.917 -8.100 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.772 -6.835 2.383 1.00 0.00 H new ATOM 811 N ALA A 54 -9.212 -6.483 3.066 1.00 0.00 N ATOM 812 CA ALA A 54 -10.627 -6.459 2.731 1.00 0.00 C ATOM 813 C ALA A 54 -10.841 -6.695 1.241 1.00 0.00 C ATOM 814 O ALA A 54 -10.238 -6.025 0.403 1.00 0.00 O ATOM 815 CB ALA A 54 -11.245 -5.135 3.154 1.00 0.00 C ATOM 0 H ALA A 54 -8.733 -5.591 2.941 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.119 -7.266 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.304 -5.130 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.131 -5.008 4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.743 -4.317 2.637 1.00 0.00 H new ATOM 821 N ARG A 55 -11.709 -7.649 0.917 1.00 0.00 N ATOM 822 CA ARG A 55 -12.011 -7.968 -0.473 1.00 0.00 C ATOM 823 C ARG A 55 -13.214 -7.170 -0.959 1.00 0.00 C ATOM 824 O ARG A 55 -14.006 -7.650 -1.770 1.00 0.00 O ATOM 825 CB ARG A 55 -12.284 -9.464 -0.629 1.00 0.00 C ATOM 826 CG ARG A 55 -13.476 -9.950 0.180 1.00 0.00 C ATOM 827 CD ARG A 55 -14.389 -10.844 -0.645 1.00 0.00 C ATOM 828 NE ARG A 55 -15.616 -10.156 -1.038 1.00 0.00 N ATOM 829 CZ ARG A 55 -16.740 -10.781 -1.382 1.00 0.00 C ATOM 830 NH1 ARG A 55 -16.797 -12.107 -1.392 1.00 0.00 N ATOM 831 NH2 ARG A 55 -17.812 -10.077 -1.721 1.00 0.00 N ATOM 0 H ARG A 55 -12.215 -8.214 1.599 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.145 -7.700 -1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.455 -9.686 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.397 -10.021 -0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.124 -10.497 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.041 -9.093 0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.859 -11.179 -1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.641 -11.735 -0.070 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.611 -9.136 -1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.976 -12.655 -1.135 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.662 -12.578 -1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.775 -9.058 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.674 -10.555 -1.985 1.00 0.00 H new ATOM 845 N CYS A 56 -13.346 -5.951 -0.451 1.00 0.00 N ATOM 846 CA CYS A 56 -14.453 -5.081 -0.824 1.00 0.00 C ATOM 847 C CYS A 56 -14.017 -4.066 -1.876 1.00 0.00 C ATOM 848 O CYS A 56 -12.825 -3.894 -2.131 1.00 0.00 O ATOM 849 CB CYS A 56 -14.988 -4.354 0.409 1.00 0.00 C ATOM 850 SG CYS A 56 -13.752 -3.318 1.260 1.00 0.00 S ATOM 0 H CYS A 56 -12.698 -5.542 0.222 1.00 0.00 H new ATOM 0 HA CYS A 56 -15.244 -5.699 -1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.828 -3.727 0.111 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.374 -5.091 1.113 1.00 0.00 H new ATOM 855 N GLN A 57 -14.991 -3.400 -2.488 1.00 0.00 N ATOM 856 CA GLN A 57 -14.707 -2.407 -3.517 1.00 0.00 C ATOM 857 C GLN A 57 -15.278 -1.042 -3.141 1.00 0.00 C ATOM 858 O GLN A 57 -15.697 -0.276 -4.009 1.00 0.00 O ATOM 859 CB GLN A 57 -15.281 -2.859 -4.862 1.00 0.00 C ATOM 860 CG GLN A 57 -14.327 -3.720 -5.673 1.00 0.00 C ATOM 861 CD GLN A 57 -15.049 -4.707 -6.570 1.00 0.00 C ATOM 862 OE1 GLN A 57 -15.827 -5.537 -6.100 1.00 0.00 O ATOM 863 NE2 GLN A 57 -14.795 -4.620 -7.871 1.00 0.00 N ATOM 0 H GLN A 57 -15.983 -3.530 -2.289 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.624 -2.313 -3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -16.200 -3.417 -4.686 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.549 -1.979 -5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.693 -3.077 -6.283 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.670 -4.265 -4.995 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.143 -3.916 -8.217 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.252 -5.257 -8.524 1.00 0.00 H new ATOM 872 N CYS A 58 -15.290 -0.741 -1.846 1.00 0.00 N ATOM 873 CA CYS A 58 -15.807 0.537 -1.369 1.00 0.00 C ATOM 874 C CYS A 58 -15.012 1.696 -1.959 1.00 0.00 C ATOM 875 O CYS A 58 -13.785 1.729 -1.865 1.00 0.00 O ATOM 876 CB CYS A 58 -15.755 0.605 0.158 1.00 0.00 C ATOM 877 SG CYS A 58 -16.506 -0.825 1.001 1.00 0.00 S ATOM 0 H CYS A 58 -14.949 -1.361 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.844 0.618 -1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.714 0.690 0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -16.262 1.512 0.487 1.00 0.00 H new ATOM 882 N THR A 59 -15.716 2.646 -2.563 1.00 0.00 N ATOM 883 CA THR A 59 -15.068 3.807 -3.161 1.00 0.00 C ATOM 884 C THR A 59 -14.581 4.777 -2.085 1.00 0.00 C ATOM 885 O THR A 59 -13.863 5.733 -2.381 1.00 0.00 O ATOM 886 CB THR A 59 -16.032 4.523 -4.109 1.00 0.00 C ATOM 887 OG1 THR A 59 -16.959 3.608 -4.666 1.00 0.00 O ATOM 888 CG2 THR A 59 -15.332 5.222 -5.254 1.00 0.00 C ATOM 0 H THR A 59 -16.732 2.636 -2.652 1.00 0.00 H new ATOM 0 HA THR A 59 -14.204 3.457 -3.726 1.00 0.00 H new ATOM 0 HB THR A 59 -16.536 5.273 -3.499 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.568 4.085 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 59 -16.071 5.710 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 59 -14.644 5.969 -4.858 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.776 4.491 -5.841 1.00 0.00 H new ATOM 896 N THR A 60 -14.977 4.530 -0.837 1.00 0.00 N ATOM 897 CA THR A 60 -14.580 5.387 0.273 1.00 0.00 C ATOM 898 C THR A 60 -13.751 4.614 1.295 1.00 0.00 C ATOM 899 O THR A 60 -14.189 3.593 1.825 1.00 0.00 O ATOM 900 CB THR A 60 -15.814 5.984 0.950 1.00 0.00 C ATOM 901 OG1 THR A 60 -16.417 5.040 1.818 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.872 6.447 -0.029 1.00 0.00 C ATOM 0 H THR A 60 -15.571 3.744 -0.572 1.00 0.00 H new ATOM 0 HA THR A 60 -13.966 6.193 -0.129 1.00 0.00 H new ATOM 0 HB THR A 60 -15.448 6.851 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 60 -15.941 4.186 1.754 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.719 6.859 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.454 7.214 -0.681 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.206 5.602 -0.631 1.00 0.00 H new ATOM 910 N GLY A 61 -12.553 5.117 1.571 1.00 0.00 N ATOM 911 CA GLY A 61 -11.673 4.479 2.533 1.00 0.00 C ATOM 912 C GLY A 61 -10.917 5.499 3.361 1.00 0.00 C ATOM 913 O GLY A 61 -11.075 6.702 3.158 1.00 0.00 O ATOM 0 H GLY A 61 -12.173 5.961 1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.258 3.837 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.964 3.838 2.009 1.00 0.00 H new ATOM 917 N VAL A 62 -10.094 5.032 4.295 1.00 0.00 N ATOM 918 CA VAL A 62 -9.324 5.940 5.138 1.00 0.00 C ATOM 919 C VAL A 62 -7.823 5.723 4.963 1.00 0.00 C ATOM 920 O VAL A 62 -7.316 4.610 5.119 1.00 0.00 O ATOM 921 CB VAL A 62 -9.704 5.794 6.626 1.00 0.00 C ATOM 922 CG1 VAL A 62 -9.448 4.375 7.113 1.00 0.00 C ATOM 923 CG2 VAL A 62 -8.948 6.808 7.473 1.00 0.00 C ATOM 0 H VAL A 62 -9.944 4.041 4.486 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.570 6.952 4.817 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.770 5.995 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.723 4.296 8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.046 3.676 6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.391 4.135 6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.229 6.690 8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.876 6.645 7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.197 7.816 7.142 1.00 0.00 H new ATOM 933 N TYR A 63 -7.121 6.804 4.626 1.00 0.00 N ATOM 934 CA TYR A 63 -5.680 6.757 4.411 1.00 0.00 C ATOM 935 C TYR A 63 -4.920 7.391 5.577 1.00 0.00 C ATOM 936 O TYR A 63 -5.512 7.765 6.590 1.00 0.00 O ATOM 937 CB TYR A 63 -5.328 7.469 3.098 1.00 0.00 C ATOM 938 CG TYR A 63 -5.371 8.984 3.177 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.252 9.708 3.567 1.00 0.00 C ATOM 940 CD2 TYR A 63 -6.529 9.691 2.861 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.282 11.089 3.639 1.00 0.00 C ATOM 942 CE2 TYR A 63 -6.565 11.070 2.932 1.00 0.00 C ATOM 943 CZ TYR A 63 -5.441 11.763 3.321 1.00 0.00 C ATOM 944 OH TYR A 63 -5.474 13.137 3.392 1.00 0.00 O ATOM 0 H TYR A 63 -7.533 7.728 4.496 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.379 5.711 4.349 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.329 7.161 2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.019 7.138 2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.342 9.183 3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.413 9.152 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.402 11.636 3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.471 11.602 2.683 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.919 13.411 4.221 1.00 0.00 H new ATOM 954 N PHE A 64 -3.604 7.510 5.419 1.00 0.00 N ATOM 955 CA PHE A 64 -2.749 8.101 6.445 1.00 0.00 C ATOM 956 C PHE A 64 -2.683 7.211 7.688 1.00 0.00 C ATOM 957 O PHE A 64 -1.816 6.342 7.787 1.00 0.00 O ATOM 958 CB PHE A 64 -3.245 9.507 6.810 1.00 0.00 C ATOM 959 CG PHE A 64 -2.427 10.627 6.217 1.00 0.00 C ATOM 960 CD1 PHE A 64 -1.624 10.420 5.102 1.00 0.00 C ATOM 961 CD2 PHE A 64 -2.464 11.892 6.781 1.00 0.00 C ATOM 962 CE1 PHE A 64 -0.878 11.453 4.566 1.00 0.00 C ATOM 963 CE2 PHE A 64 -1.719 12.928 6.249 1.00 0.00 C ATOM 964 CZ PHE A 64 -0.926 12.708 5.140 1.00 0.00 C ATOM 0 H PHE A 64 -3.104 7.203 4.585 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.740 8.183 6.040 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.278 9.612 6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.246 9.609 7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.582 9.441 4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.083 12.071 7.648 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.258 11.279 3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.757 13.908 6.700 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.344 13.516 4.722 1.00 0.00 H new ATOM 974 N CYS A 65 -3.596 7.426 8.637 1.00 0.00 N ATOM 975 CA CYS A 65 -3.623 6.635 9.864 1.00 0.00 C ATOM 976 C CYS A 65 -2.422 6.953 10.752 1.00 0.00 C ATOM 977 O CYS A 65 -2.575 7.481 11.853 1.00 0.00 O ATOM 978 CB CYS A 65 -3.647 5.139 9.538 1.00 0.00 C ATOM 979 SG CYS A 65 -4.663 4.153 10.663 1.00 0.00 S ATOM 0 H CYS A 65 -4.323 8.139 8.578 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.531 6.896 10.407 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.016 5.006 8.521 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.626 4.757 9.559 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.895 3.405 11.399 1.00 0.00 H new ATOM 985 N ALA A 66 -1.227 6.623 10.270 1.00 0.00 N ATOM 986 CA ALA A 66 -0.001 6.866 11.024 1.00 0.00 C ATOM 987 C ALA A 66 0.614 8.220 10.680 1.00 0.00 C ATOM 988 O ALA A 66 1.121 8.921 11.556 1.00 0.00 O ATOM 989 CB ALA A 66 1.003 5.752 10.768 1.00 0.00 C ATOM 0 H ALA A 66 -1.082 6.186 9.360 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.260 6.880 12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.913 5.945 11.336 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.576 4.799 11.079 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.240 5.713 9.705 1.00 0.00 H new ATOM 995 N SER A 67 0.575 8.582 9.400 1.00 0.00 N ATOM 996 CA SER A 67 1.137 9.851 8.940 1.00 0.00 C ATOM 997 C SER A 67 0.711 11.008 9.842 1.00 0.00 C ATOM 998 O SER A 67 1.532 11.589 10.551 1.00 0.00 O ATOM 999 CB SER A 67 0.707 10.131 7.499 1.00 0.00 C ATOM 1000 OG SER A 67 1.393 11.254 6.971 1.00 0.00 O ATOM 0 H SER A 67 0.160 8.014 8.661 1.00 0.00 H new ATOM 0 HA SER A 67 2.223 9.768 8.983 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.905 9.256 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.368 10.308 7.465 1.00 0.00 H new ATOM 0 HG SER A 67 0.753 11.852 6.532 1.00 0.00 H new ATOM 1006 N LYS A 68 -0.577 11.335 9.811 1.00 0.00 N ATOM 1007 CA LYS A 68 -1.111 12.421 10.629 1.00 0.00 C ATOM 1008 C LYS A 68 -1.493 11.924 12.025 1.00 0.00 C ATOM 1009 O LYS A 68 -2.111 12.651 12.802 1.00 0.00 O ATOM 1010 CB LYS A 68 -2.327 13.048 9.943 1.00 0.00 C ATOM 1011 CG LYS A 68 -2.755 14.379 10.544 1.00 0.00 C ATOM 1012 CD LYS A 68 -1.658 15.425 10.426 1.00 0.00 C ATOM 1013 CE LYS A 68 -1.330 15.731 8.974 1.00 0.00 C ATOM 1014 NZ LYS A 68 -1.221 17.195 8.725 1.00 0.00 N ATOM 0 H LYS A 68 -1.271 10.865 9.229 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.333 13.176 10.739 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.101 13.193 8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.163 12.350 9.997 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.653 14.735 10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.013 14.239 11.594 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.971 16.340 10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.761 15.072 10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.392 15.246 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.103 15.310 8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.996 17.361 7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.124 17.655 8.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.466 17.593 9.320 1.00 0.00 H new ATOM 1028 N SER A 69 -1.128 10.682 12.337 1.00 0.00 N ATOM 1029 CA SER A 69 -1.439 10.095 13.636 1.00 0.00 C ATOM 1030 C SER A 69 -2.947 9.924 13.815 1.00 0.00 C ATOM 1031 O SER A 69 -3.424 9.665 14.920 1.00 0.00 O ATOM 1032 CB SER A 69 -0.875 10.965 14.764 1.00 0.00 C ATOM 1033 OG SER A 69 -0.271 10.169 15.768 1.00 0.00 O ATOM 0 H SER A 69 -0.617 10.064 11.707 1.00 0.00 H new ATOM 0 HA SER A 69 -0.974 9.110 13.678 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.142 11.662 14.358 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.675 11.563 15.201 1.00 0.00 H new ATOM 0 HG SER A 69 0.082 10.748 16.476 1.00 0.00 H new ATOM 1039 N LYS A 70 -3.694 10.066 12.722 1.00 0.00 N ATOM 1040 CA LYS A 70 -5.144 9.925 12.760 1.00 0.00 C ATOM 1041 C LYS A 70 -5.651 9.238 11.498 1.00 0.00 C ATOM 1042 O LYS A 70 -4.910 9.069 10.528 1.00 0.00 O ATOM 1043 CB LYS A 70 -5.816 11.294 12.901 1.00 0.00 C ATOM 1044 CG LYS A 70 -5.308 12.113 14.079 1.00 0.00 C ATOM 1045 CD LYS A 70 -4.630 13.394 13.616 1.00 0.00 C ATOM 1046 CE LYS A 70 -5.561 14.590 13.731 1.00 0.00 C ATOM 1047 NZ LYS A 70 -5.801 14.975 15.149 1.00 0.00 N ATOM 0 H LYS A 70 -3.316 10.279 11.799 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.398 9.312 13.625 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.660 11.861 11.983 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.891 11.151 13.008 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.140 12.358 14.739 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.605 11.518 14.661 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.735 13.570 14.213 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.306 13.282 12.581 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.133 15.436 13.193 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.512 14.356 13.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.174 15.945 15.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.490 14.322 15.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.907 14.927 15.678 1.00 0.00 H new ATOM 1061 N HIS A 71 -6.920 8.850 11.514 1.00 0.00 N ATOM 1062 CA HIS A 71 -7.530 8.188 10.368 1.00 0.00 C ATOM 1063 C HIS A 71 -8.194 9.210 9.452 1.00 0.00 C ATOM 1064 O HIS A 71 -9.137 9.891 9.852 1.00 0.00 O ATOM 1065 CB HIS A 71 -8.564 7.158 10.836 1.00 0.00 C ATOM 1066 CG HIS A 71 -9.462 7.659 11.926 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -10.680 8.259 11.682 1.00 0.00 N ATOM 1068 CD2 HIS A 71 -9.314 7.644 13.272 1.00 0.00 C ATOM 1069 CE1 HIS A 71 -11.242 8.592 12.830 1.00 0.00 C ATOM 1070 NE2 HIS A 71 -10.435 8.229 13.809 1.00 0.00 N ATOM 0 H HIS A 71 -7.547 8.982 12.308 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.746 7.675 9.811 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.174 6.856 9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.043 6.267 11.187 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.473 7.247 13.820 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -12.199 9.079 12.947 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.615 8.361 14.804 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.696 9.319 8.222 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.256 10.266 7.265 1.00 0.00 C ATOM 1081 C TYR A 72 -9.084 9.547 6.203 1.00 0.00 C ATOM 1082 O TYR A 72 -8.539 8.818 5.378 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.123 11.034 6.576 1.00 0.00 C ATOM 1084 CG TYR A 72 -6.808 12.376 7.199 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -6.136 12.461 8.411 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -7.174 13.557 6.566 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -5.838 13.687 8.977 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -6.879 14.785 7.123 1.00 0.00 C ATOM 1089 CZ TYR A 72 -6.211 14.845 8.329 1.00 0.00 C ATOM 1090 OH TYR A 72 -5.916 16.068 8.888 1.00 0.00 O ATOM 0 H TYR A 72 -6.913 8.768 7.869 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.902 10.955 7.809 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.223 10.420 6.591 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.388 11.186 5.530 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.841 11.555 8.920 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.698 13.514 5.623 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.316 13.737 9.921 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.169 15.694 6.618 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.247 16.783 8.305 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.414 9.748 6.190 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.303 9.124 5.217 1.00 0.00 C ATOM 1102 C PRO A 73 -11.356 9.915 3.915 1.00 0.00 C ATOM 1103 O PRO A 73 -11.715 11.093 3.908 1.00 0.00 O ATOM 1104 CB PRO A 73 -12.671 9.137 5.920 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.439 9.782 7.253 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.176 10.581 7.117 1.00 0.00 C ATOM 0 HA PRO A 73 -10.974 8.124 4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.404 9.695 5.338 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.060 8.126 6.037 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.277 10.423 7.527 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.342 9.031 8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.361 11.578 6.718 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.665 10.709 8.071 1.00 0.00 H new ATOM 1114 N VAL A 74 -10.987 9.268 2.817 1.00 0.00 N ATOM 1115 CA VAL A 74 -10.980 9.920 1.514 1.00 0.00 C ATOM 1116 C VAL A 74 -11.546 9.008 0.429 1.00 0.00 C ATOM 1117 O VAL A 74 -11.477 7.783 0.535 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.547 10.351 1.124 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -8.756 9.190 0.541 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -9.574 11.516 0.153 1.00 0.00 C ATOM 0 H VAL A 74 -10.689 8.293 2.803 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.615 10.803 1.593 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.045 10.675 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.754 9.528 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.687 8.390 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.259 8.818 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.553 11.799 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.109 11.224 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.079 12.364 0.616 1.00 0.00 H new ATOM 1130 N SER A 75 -12.083 9.614 -0.622 1.00 0.00 N ATOM 1131 CA SER A 75 -12.636 8.858 -1.737 1.00 0.00 C ATOM 1132 C SER A 75 -11.582 8.710 -2.827 1.00 0.00 C ATOM 1133 O SER A 75 -10.985 9.696 -3.258 1.00 0.00 O ATOM 1134 CB SER A 75 -13.878 9.557 -2.295 1.00 0.00 C ATOM 1135 OG SER A 75 -14.784 9.891 -1.258 1.00 0.00 O ATOM 0 H SER A 75 -12.147 10.627 -0.725 1.00 0.00 H new ATOM 0 HA SER A 75 -12.929 7.869 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.582 10.460 -2.829 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.371 8.907 -3.018 1.00 0.00 H new ATOM 0 HG SER A 75 -15.568 10.338 -1.640 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.344 7.478 -3.264 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.343 7.230 -4.298 1.00 0.00 C ATOM 1143 C PHE A 76 -10.882 6.338 -5.409 1.00 0.00 C ATOM 1144 O PHE A 76 -11.886 5.644 -5.244 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.066 6.595 -3.715 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.135 6.236 -2.254 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -10.154 5.438 -1.759 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.168 6.699 -1.378 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -10.206 5.111 -0.418 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.213 6.377 -0.037 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.235 5.582 0.444 1.00 0.00 C ATOM 0 H PHE A 76 -11.823 6.644 -2.924 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.095 8.205 -4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.836 5.694 -4.283 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.236 7.286 -3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.916 5.068 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.367 7.321 -1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.005 4.488 -0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.452 6.745 0.634 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.275 5.329 1.493 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.181 6.359 -6.535 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.536 5.554 -7.693 1.00 0.00 C ATOM 1163 C GLU A 77 -9.475 4.482 -7.900 1.00 0.00 C ATOM 1164 O GLU A 77 -8.358 4.616 -7.405 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.655 6.430 -8.942 1.00 0.00 C ATOM 1166 CG GLU A 77 -11.965 7.195 -9.025 1.00 0.00 C ATOM 1167 CD GLU A 77 -11.777 8.694 -8.892 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -11.560 9.166 -7.757 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -11.846 9.395 -9.923 1.00 0.00 O ATOM 0 H GLU A 77 -9.350 6.935 -6.670 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.503 5.082 -7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.828 7.140 -8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.554 5.802 -9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.449 6.977 -9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.635 6.846 -8.239 1.00 0.00 H new ATOM 1176 N GLY A 78 -9.827 3.414 -8.609 1.00 0.00 N ATOM 1177 CA GLY A 78 -8.877 2.339 -8.834 1.00 0.00 C ATOM 1178 C GLY A 78 -8.303 2.320 -10.242 1.00 0.00 C ATOM 1179 O GLY A 78 -8.541 1.374 -10.992 1.00 0.00 O ATOM 0 H GLY A 78 -10.746 3.274 -9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.060 2.432 -8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.367 1.385 -8.637 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.527 3.349 -10.634 1.00 0.00 N ATOM 1184 CA PRO A 79 -6.923 3.409 -11.966 1.00 0.00 C ATOM 1185 C PRO A 79 -5.843 2.347 -12.158 1.00 0.00 C ATOM 1186 O PRO A 79 -4.994 2.132 -11.282 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.309 4.810 -12.024 1.00 0.00 C ATOM 1188 CG PRO A 79 -6.082 5.188 -10.603 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.175 4.521 -9.815 1.00 0.00 C ATOM 0 HA PRO A 79 -7.655 3.221 -12.751 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.375 4.809 -12.586 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.978 5.514 -12.518 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -5.100 4.858 -10.264 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -6.116 6.270 -10.477 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.832 4.228 -8.823 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.029 5.183 -9.675 1.00 0.00 H new ATOM 1197 N GLY A 80 -5.884 1.687 -13.310 1.00 0.00 N ATOM 1198 CA GLY A 80 -4.910 0.657 -13.610 1.00 0.00 C ATOM 1199 C GLY A 80 -3.492 1.187 -13.594 1.00 0.00 C ATOM 1200 O GLY A 80 -2.803 1.100 -12.579 1.00 0.00 O ATOM 0 H GLY A 80 -6.576 1.848 -14.042 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.002 -0.150 -12.883 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.125 0.230 -14.590 1.00 0.00 H new ATOM 1204 N LEU A 81 -3.053 1.741 -14.717 1.00 0.00 N ATOM 1205 CA LEU A 81 -1.706 2.283 -14.812 1.00 0.00 C ATOM 1206 C LEU A 81 -1.691 3.791 -14.589 1.00 0.00 C ATOM 1207 O LEU A 81 -2.298 4.549 -15.344 1.00 0.00 O ATOM 1208 CB LEU A 81 -1.092 1.963 -16.171 1.00 0.00 C ATOM 1209 CG LEU A 81 0.385 1.560 -16.131 1.00 0.00 C ATOM 1210 CD1 LEU A 81 1.183 2.463 -15.202 1.00 0.00 C ATOM 1211 CD2 LEU A 81 0.527 0.104 -15.716 1.00 0.00 C ATOM 0 H LEU A 81 -3.607 1.826 -15.569 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.113 1.813 -14.027 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.662 1.155 -16.630 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.199 2.835 -16.816 1.00 0.00 H new ATOM 0 HG LEU A 81 0.791 1.678 -17.136 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.227 2.149 -15.197 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.116 3.494 -15.550 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.779 2.394 -14.192 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.583 -0.166 -15.693 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.095 -0.036 -14.725 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.006 -0.531 -16.432 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.969 4.218 -13.560 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.840 5.633 -13.248 1.00 0.00 C ATOM 1225 C VAL A 82 0.631 6.026 -13.231 1.00 0.00 C ATOM 1226 O VAL A 82 1.426 5.449 -12.489 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.481 5.982 -11.887 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.415 7.482 -11.635 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -2.922 5.494 -11.839 1.00 0.00 C ATOM 0 H VAL A 82 -0.462 3.600 -12.926 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.368 6.191 -14.022 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.920 5.478 -11.100 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.871 7.710 -10.672 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.374 7.804 -11.629 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.953 8.008 -12.424 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.360 5.747 -10.874 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.495 5.972 -12.634 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.945 4.413 -11.975 1.00 0.00 H new ATOM 1239 N GLU A 83 0.994 6.997 -14.058 1.00 0.00 N ATOM 1240 CA GLU A 83 2.377 7.442 -14.133 1.00 0.00 C ATOM 1241 C GLU A 83 2.753 8.239 -12.892 1.00 0.00 C ATOM 1242 O GLU A 83 2.319 9.377 -12.714 1.00 0.00 O ATOM 1243 CB GLU A 83 2.599 8.289 -15.389 1.00 0.00 C ATOM 1244 CG GLU A 83 1.672 9.487 -15.487 1.00 0.00 C ATOM 1245 CD GLU A 83 0.724 9.398 -16.667 1.00 0.00 C ATOM 1246 OE1 GLU A 83 1.203 9.459 -17.819 1.00 0.00 O ATOM 1247 OE2 GLU A 83 -0.497 9.268 -16.439 1.00 0.00 O ATOM 0 H GLU A 83 0.354 7.488 -14.682 1.00 0.00 H new ATOM 0 HA GLU A 83 3.016 6.560 -14.186 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.632 8.637 -15.404 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.462 7.661 -16.269 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.094 9.570 -14.567 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.267 10.396 -15.572 1.00 0.00 H new ATOM 1254 N VAL A 84 3.564 7.629 -12.037 1.00 0.00 N ATOM 1255 CA VAL A 84 4.003 8.275 -10.811 1.00 0.00 C ATOM 1256 C VAL A 84 5.051 9.341 -11.113 1.00 0.00 C ATOM 1257 O VAL A 84 6.116 9.045 -11.656 1.00 0.00 O ATOM 1258 CB VAL A 84 4.569 7.246 -9.808 1.00 0.00 C ATOM 1259 CG1 VAL A 84 5.596 6.345 -10.474 1.00 0.00 C ATOM 1260 CG2 VAL A 84 5.169 7.941 -8.595 1.00 0.00 C ATOM 0 H VAL A 84 3.930 6.687 -12.172 1.00 0.00 H new ATOM 0 HA VAL A 84 3.134 8.751 -10.358 1.00 0.00 H new ATOM 0 HB VAL A 84 3.742 6.623 -9.467 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.979 5.630 -9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.128 5.808 -11.299 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.418 6.950 -10.855 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.560 7.194 -7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.978 8.598 -8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.400 8.529 -8.095 1.00 0.00 H new ATOM 1270 N GLN A 85 4.732 10.584 -10.762 1.00 0.00 N ATOM 1271 CA GLN A 85 5.632 11.707 -10.999 1.00 0.00 C ATOM 1272 C GLN A 85 6.856 11.627 -10.097 1.00 0.00 C ATOM 1273 O GLN A 85 6.787 11.109 -8.982 1.00 0.00 O ATOM 1274 CB GLN A 85 4.900 13.030 -10.769 1.00 0.00 C ATOM 1275 CG GLN A 85 3.542 13.101 -11.447 1.00 0.00 C ATOM 1276 CD GLN A 85 3.008 14.516 -11.537 1.00 0.00 C ATOM 1277 OE1 GLN A 85 2.427 15.034 -10.582 1.00 0.00 O ATOM 1278 NE2 GLN A 85 3.203 15.150 -12.687 1.00 0.00 N ATOM 0 H GLN A 85 3.853 10.839 -10.311 1.00 0.00 H new ATOM 0 HA GLN A 85 5.966 11.658 -12.035 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.770 13.182 -9.697 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.522 13.848 -11.134 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.619 12.681 -12.450 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.833 12.483 -10.896 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.690 14.682 -13.451 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.866 16.105 -12.806 1.00 0.00 H new ATOM 1287 N GLU A 86 7.979 12.141 -10.586 1.00 0.00 N ATOM 1288 CA GLU A 86 9.220 12.123 -9.822 1.00 0.00 C ATOM 1289 C GLU A 86 9.124 13.055 -8.620 1.00 0.00 C ATOM 1290 O GLU A 86 9.228 14.274 -8.757 1.00 0.00 O ATOM 1291 CB GLU A 86 10.397 12.535 -10.708 1.00 0.00 C ATOM 1292 CG GLU A 86 11.754 12.268 -10.078 1.00 0.00 C ATOM 1293 CD GLU A 86 12.854 12.107 -11.110 1.00 0.00 C ATOM 1294 OE1 GLU A 86 12.973 11.003 -11.683 1.00 0.00 O ATOM 1295 OE2 GLU A 86 13.596 13.084 -11.344 1.00 0.00 O ATOM 0 H GLU A 86 8.055 12.574 -11.506 1.00 0.00 H new ATOM 0 HA GLU A 86 9.385 11.107 -9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.333 11.999 -11.655 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.314 13.597 -10.937 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.007 13.089 -9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.697 11.366 -9.469 1.00 0.00 H new ATOM 1302 N SER A 87 8.918 12.476 -7.442 1.00 0.00 N ATOM 1303 CA SER A 87 8.804 13.259 -6.218 1.00 0.00 C ATOM 1304 C SER A 87 9.439 12.536 -5.034 1.00 0.00 C ATOM 1305 O SER A 87 9.599 11.316 -5.051 1.00 0.00 O ATOM 1306 CB SER A 87 7.333 13.559 -5.918 1.00 0.00 C ATOM 1307 OG SER A 87 7.132 14.942 -5.688 1.00 0.00 O ATOM 0 H SER A 87 8.827 11.469 -7.309 1.00 0.00 H new ATOM 0 HA SER A 87 9.340 14.196 -6.370 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.714 13.232 -6.754 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.014 12.991 -5.044 1.00 0.00 H new ATOM 0 HG SER A 87 6.185 15.108 -5.500 1.00 0.00 H new ATOM 1313 N GLU A 88 9.787 13.302 -4.004 1.00 0.00 N ATOM 1314 CA GLU A 88 10.395 12.751 -2.795 1.00 0.00 C ATOM 1315 C GLU A 88 11.629 11.905 -3.117 1.00 0.00 C ATOM 1316 O GLU A 88 12.755 12.400 -3.071 1.00 0.00 O ATOM 1317 CB GLU A 88 9.363 11.930 -2.013 1.00 0.00 C ATOM 1318 CG GLU A 88 9.771 11.649 -0.577 1.00 0.00 C ATOM 1319 CD GLU A 88 8.589 11.639 0.372 1.00 0.00 C ATOM 1320 OE1 GLU A 88 7.761 12.570 0.298 1.00 0.00 O ATOM 1321 OE2 GLU A 88 8.492 10.700 1.190 1.00 0.00 O ATOM 0 H GLU A 88 9.657 14.313 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 88 10.727 13.585 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.412 12.462 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.199 10.983 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.279 10.686 -0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.487 12.404 -0.252 1.00 0.00 H new ATOM 1328 N TYR A 89 11.417 10.632 -3.443 1.00 0.00 N ATOM 1329 CA TYR A 89 12.519 9.733 -3.769 1.00 0.00 C ATOM 1330 C TYR A 89 12.112 8.731 -4.846 1.00 0.00 C ATOM 1331 O TYR A 89 12.747 7.689 -5.006 1.00 0.00 O ATOM 1332 CB TYR A 89 12.990 8.988 -2.517 1.00 0.00 C ATOM 1333 CG TYR A 89 11.865 8.556 -1.601 1.00 0.00 C ATOM 1334 CD1 TYR A 89 10.774 7.851 -2.093 1.00 0.00 C ATOM 1335 CD2 TYR A 89 11.897 8.854 -0.245 1.00 0.00 C ATOM 1336 CE1 TYR A 89 9.744 7.456 -1.259 1.00 0.00 C ATOM 1337 CE2 TYR A 89 10.872 8.461 0.596 1.00 0.00 C ATOM 1338 CZ TYR A 89 9.799 7.764 0.083 1.00 0.00 C ATOM 1339 OH TYR A 89 8.777 7.372 0.918 1.00 0.00 O ATOM 0 H TYR A 89 10.494 10.201 -3.488 1.00 0.00 H new ATOM 0 HA TYR A 89 13.340 10.338 -4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.556 8.108 -2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.673 9.629 -1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 89 10.729 7.607 -3.144 1.00 0.00 H new ATOM 0 HD2 TYR A 89 12.736 9.401 0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.902 6.910 -1.657 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.912 8.699 1.649 1.00 0.00 H new ATOM 0 HH TYR A 89 8.970 7.667 1.832 1.00 0.00 H new ATOM 1349 N TYR A 90 11.051 9.049 -5.581 1.00 0.00 N ATOM 1350 CA TYR A 90 10.565 8.173 -6.641 1.00 0.00 C ATOM 1351 C TYR A 90 10.738 8.831 -8.008 1.00 0.00 C ATOM 1352 O TYR A 90 10.476 10.023 -8.163 1.00 0.00 O ATOM 1353 CB TYR A 90 9.093 7.828 -6.410 1.00 0.00 C ATOM 1354 CG TYR A 90 8.743 6.397 -6.750 1.00 0.00 C ATOM 1355 CD1 TYR A 90 8.881 5.385 -5.807 1.00 0.00 C ATOM 1356 CD2 TYR A 90 8.277 6.057 -8.014 1.00 0.00 C ATOM 1357 CE1 TYR A 90 8.562 4.076 -6.114 1.00 0.00 C ATOM 1358 CE2 TYR A 90 7.956 4.750 -8.328 1.00 0.00 C ATOM 1359 CZ TYR A 90 8.101 3.764 -7.375 1.00 0.00 C ATOM 1360 OH TYR A 90 7.783 2.461 -7.686 1.00 0.00 O ATOM 0 H TYR A 90 10.512 9.906 -5.462 1.00 0.00 H new ATOM 0 HA TYR A 90 11.153 7.255 -6.621 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.845 8.015 -5.365 1.00 0.00 H new ATOM 0 HB3 TYR A 90 8.474 8.496 -7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.243 5.626 -4.818 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.164 6.827 -8.763 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.673 3.301 -5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.593 4.502 -9.315 1.00 0.00 H new ATOM 0 HH TYR A 90 7.473 2.413 -8.614 1.00 0.00 H new ATOM 1370 N PRO A 91 11.191 8.063 -9.017 1.00 0.00 N ATOM 1371 CA PRO A 91 11.404 8.570 -10.372 1.00 0.00 C ATOM 1372 C PRO A 91 10.135 8.527 -11.220 1.00 0.00 C ATOM 1373 O PRO A 91 9.290 7.652 -11.038 1.00 0.00 O ATOM 1374 CB PRO A 91 12.446 7.603 -10.925 1.00 0.00 C ATOM 1375 CG PRO A 91 12.130 6.302 -10.268 1.00 0.00 C ATOM 1376 CD PRO A 91 11.539 6.631 -8.916 1.00 0.00 C ATOM 0 HA PRO A 91 11.709 9.617 -10.381 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.381 7.526 -12.010 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.458 7.932 -10.689 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.426 5.726 -10.868 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.029 5.694 -10.160 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.661 6.021 -8.705 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.254 6.450 -8.113 1.00 0.00 H new ATOM 1384 N LYS A 92 10.010 9.479 -12.144 1.00 0.00 N ATOM 1385 CA LYS A 92 8.844 9.553 -13.026 1.00 0.00 C ATOM 1386 C LYS A 92 8.653 8.242 -13.787 1.00 0.00 C ATOM 1387 O LYS A 92 9.081 8.112 -14.934 1.00 0.00 O ATOM 1388 CB LYS A 92 9.003 10.709 -14.016 1.00 0.00 C ATOM 1389 CG LYS A 92 7.684 11.317 -14.462 1.00 0.00 C ATOM 1390 CD LYS A 92 7.019 10.483 -15.548 1.00 0.00 C ATOM 1391 CE LYS A 92 7.003 11.212 -16.882 1.00 0.00 C ATOM 1392 NZ LYS A 92 5.845 10.804 -17.724 1.00 0.00 N ATOM 0 H LYS A 92 10.703 10.211 -12.302 1.00 0.00 H new ATOM 0 HA LYS A 92 7.962 9.727 -12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.615 11.486 -13.558 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.544 10.353 -14.893 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.014 11.401 -13.606 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.856 12.327 -14.833 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.549 9.536 -15.656 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.998 10.245 -15.251 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.964 12.287 -16.708 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.930 11.009 -17.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.870 11.324 -18.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.895 9.782 -17.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.959 11.021 -17.224 1.00 0.00 H new ATOM 1406 N ARG A 93 8.023 7.268 -13.137 1.00 0.00 N ATOM 1407 CA ARG A 93 7.789 5.964 -13.752 1.00 0.00 C ATOM 1408 C ARG A 93 6.307 5.594 -13.757 1.00 0.00 C ATOM 1409 O ARG A 93 5.473 6.298 -13.189 1.00 0.00 O ATOM 1410 CB ARG A 93 8.593 4.887 -13.018 1.00 0.00 C ATOM 1411 CG ARG A 93 9.452 4.035 -13.940 1.00 0.00 C ATOM 1412 CD ARG A 93 8.798 2.693 -14.234 1.00 0.00 C ATOM 1413 NE ARG A 93 8.674 2.448 -15.669 1.00 0.00 N ATOM 1414 CZ ARG A 93 8.366 1.264 -16.195 1.00 0.00 C ATOM 1415 NH1 ARG A 93 8.149 0.216 -15.409 1.00 0.00 N ATOM 1416 NH2 ARG A 93 8.274 1.127 -17.510 1.00 0.00 N ATOM 0 H ARG A 93 7.665 7.356 -12.186 1.00 0.00 H new ATOM 0 HA ARG A 93 8.119 6.025 -14.789 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.234 5.365 -12.277 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.905 4.239 -12.474 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.624 4.569 -14.875 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.428 3.872 -13.482 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.386 1.896 -13.779 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.810 2.662 -13.774 1.00 0.00 H new ATOM 0 HE ARG A 93 8.833 3.229 -16.305 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.218 0.315 -14.396 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.913 -0.688 -15.818 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.439 1.928 -18.119 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.038 0.220 -17.913 1.00 0.00 H new ATOM 1430 N TYR A 94 5.996 4.474 -14.406 1.00 0.00 N ATOM 1431 CA TYR A 94 4.626 3.979 -14.498 1.00 0.00 C ATOM 1432 C TYR A 94 4.323 2.982 -13.380 1.00 0.00 C ATOM 1433 O TYR A 94 5.105 2.068 -13.122 1.00 0.00 O ATOM 1434 CB TYR A 94 4.400 3.321 -15.857 1.00 0.00 C ATOM 1435 CG TYR A 94 3.893 4.280 -16.903 1.00 0.00 C ATOM 1436 CD1 TYR A 94 4.524 5.496 -17.112 1.00 0.00 C ATOM 1437 CD2 TYR A 94 2.787 3.971 -17.681 1.00 0.00 C ATOM 1438 CE1 TYR A 94 4.069 6.381 -18.065 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.322 4.849 -18.638 1.00 0.00 C ATOM 1440 CZ TYR A 94 2.966 6.055 -18.828 1.00 0.00 C ATOM 1441 OH TYR A 94 2.507 6.934 -19.781 1.00 0.00 O ATOM 0 H TYR A 94 6.683 3.888 -14.880 1.00 0.00 H new ATOM 0 HA TYR A 94 3.951 4.828 -14.389 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.336 2.880 -16.200 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.686 2.505 -15.744 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.388 5.755 -16.517 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.282 3.028 -17.535 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.573 7.325 -18.214 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.459 4.594 -19.235 1.00 0.00 H new ATOM 0 HH TYR A 94 1.724 6.551 -20.229 1.00 0.00 H new ATOM 1451 N GLN A 95 3.181 3.165 -12.722 1.00 0.00 N ATOM 1452 CA GLN A 95 2.772 2.281 -11.633 1.00 0.00 C ATOM 1453 C GLN A 95 1.380 1.709 -11.892 1.00 0.00 C ATOM 1454 O GLN A 95 0.432 2.452 -12.138 1.00 0.00 O ATOM 1455 CB GLN A 95 2.790 3.037 -10.301 1.00 0.00 C ATOM 1456 CG GLN A 95 3.508 2.291 -9.189 1.00 0.00 C ATOM 1457 CD GLN A 95 2.557 1.529 -8.288 1.00 0.00 C ATOM 1458 OE1 GLN A 95 1.380 1.360 -8.610 1.00 0.00 O ATOM 1459 NE2 GLN A 95 3.062 1.063 -7.151 1.00 0.00 N ATOM 0 H GLN A 95 2.522 3.917 -12.924 1.00 0.00 H new ATOM 0 HA GLN A 95 3.480 1.454 -11.581 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.271 4.004 -10.448 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.764 3.235 -9.991 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.224 1.595 -9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.079 3.001 -8.590 1.00 0.00 H new ATOM 0 HE21 GLN A 95 4.043 1.226 -6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.469 0.542 -6.505 1.00 0.00 H new ATOM 1468 N SER A 96 1.265 0.384 -11.844 1.00 0.00 N ATOM 1469 CA SER A 96 -0.015 -0.278 -12.089 1.00 0.00 C ATOM 1470 C SER A 96 -0.751 -0.599 -10.789 1.00 0.00 C ATOM 1471 O SER A 96 -0.137 -0.764 -9.735 1.00 0.00 O ATOM 1472 CB SER A 96 0.204 -1.563 -12.887 1.00 0.00 C ATOM 1473 OG SER A 96 -1.025 -2.091 -13.356 1.00 0.00 O ATOM 0 H SER A 96 2.037 -0.250 -11.639 1.00 0.00 H new ATOM 0 HA SER A 96 -0.635 0.412 -12.662 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.862 -1.362 -13.732 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.705 -2.302 -12.261 1.00 0.00 H new ATOM 0 HG SER A 96 -0.856 -2.911 -13.864 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.077 -0.701 -10.886 1.00 0.00 N ATOM 1480 CA HIS A 97 -2.921 -1.020 -9.737 1.00 0.00 C ATOM 1481 C HIS A 97 -2.746 -0.011 -8.603 1.00 0.00 C ATOM 1482 O HIS A 97 -2.406 -0.385 -7.478 1.00 0.00 O ATOM 1483 CB HIS A 97 -2.600 -2.428 -9.234 1.00 0.00 C ATOM 1484 CG HIS A 97 -3.778 -3.143 -8.652 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -3.743 -3.774 -7.426 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -5.029 -3.334 -9.134 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -4.919 -4.323 -7.181 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -5.718 -4.070 -8.202 1.00 0.00 N ATOM 0 H HIS A 97 -2.592 -0.566 -11.756 1.00 0.00 H new ATOM 0 HA HIS A 97 -3.959 -0.972 -10.065 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -2.201 -3.017 -10.060 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.816 -2.365 -8.480 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.414 -2.974 -10.077 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.183 -4.884 -6.296 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.689 -4.372 -8.285 1.00 0.00 H new ATOM 1497 N VAL A 98 -2.986 1.268 -8.889 1.00 0.00 N ATOM 1498 CA VAL A 98 -2.852 2.301 -7.864 1.00 0.00 C ATOM 1499 C VAL A 98 -4.144 3.100 -7.701 1.00 0.00 C ATOM 1500 O VAL A 98 -4.821 3.407 -8.678 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.671 3.255 -8.162 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -1.924 4.089 -9.404 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.394 4.163 -6.977 1.00 0.00 C ATOM 0 H VAL A 98 -3.270 1.610 -9.807 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.645 1.786 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.795 2.633 -8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.073 4.746 -9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.059 3.431 -10.263 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.823 4.689 -9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.560 4.824 -7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.280 4.760 -6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.143 3.558 -6.106 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.474 3.435 -6.456 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.677 4.204 -6.155 1.00 0.00 C ATOM 1515 C LEU A 99 -5.306 5.644 -5.836 1.00 0.00 C ATOM 1516 O LEU A 99 -4.288 5.896 -5.195 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.428 3.586 -4.974 1.00 0.00 C ATOM 1518 CG LEU A 99 -7.098 2.242 -5.262 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -6.098 1.107 -5.114 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.286 2.032 -4.336 1.00 0.00 C ATOM 0 H LEU A 99 -3.921 3.184 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.328 4.186 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.730 3.456 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.190 4.290 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.460 2.249 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.592 0.158 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.277 1.251 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.707 1.097 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.752 1.071 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.947 2.044 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.012 2.830 -4.489 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.120 6.594 -6.290 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.828 8.002 -6.044 1.00 0.00 C ATOM 1534 C LEU A 100 -6.994 8.733 -5.383 1.00 0.00 C ATOM 1535 O LEU A 100 -8.151 8.567 -5.769 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.433 8.695 -7.347 1.00 0.00 C ATOM 1537 CG LEU A 100 -3.924 8.812 -7.566 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.622 9.381 -8.938 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.297 9.677 -6.483 1.00 0.00 C ATOM 0 H LEU A 100 -6.973 6.419 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.992 8.041 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.868 8.147 -8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.869 9.694 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.492 7.813 -7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.543 9.455 -9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.038 8.726 -9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.068 10.372 -9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.223 9.751 -6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.738 10.673 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.480 9.228 -5.507 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.663 9.551 -4.384 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.656 10.331 -3.650 1.00 0.00 C ATOM 1553 C ALA A 101 -7.098 11.697 -3.277 1.00 0.00 C ATOM 1554 O ALA A 101 -5.923 11.825 -2.945 1.00 0.00 O ATOM 1555 CB ALA A 101 -8.089 9.598 -2.393 1.00 0.00 C ATOM 0 H ALA A 101 -5.705 9.690 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.521 10.467 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.829 10.195 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.526 8.637 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.224 9.435 -1.751 1.00 0.00 H new ATOM 1561 N THR A 102 -7.944 12.715 -3.329 1.00 0.00 N ATOM 1562 CA THR A 102 -7.519 14.067 -2.992 1.00 0.00 C ATOM 1563 C THR A 102 -7.899 14.424 -1.558 1.00 0.00 C ATOM 1564 O THR A 102 -9.027 14.187 -1.126 1.00 0.00 O ATOM 1565 CB THR A 102 -8.133 15.067 -3.968 1.00 0.00 C ATOM 1566 OG1 THR A 102 -7.958 16.394 -3.504 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.613 14.846 -4.191 1.00 0.00 C ATOM 0 H THR A 102 -8.924 12.633 -3.600 1.00 0.00 H new ATOM 0 HA THR A 102 -6.433 14.112 -3.071 1.00 0.00 H new ATOM 0 HB THR A 102 -7.612 14.911 -4.912 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.017 16.537 -3.269 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.990 15.589 -4.894 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.775 13.847 -4.597 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.142 14.943 -3.243 1.00 0.00 H new ATOM 1575 N GLY A 103 -6.946 14.995 -0.825 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.194 15.374 0.555 1.00 0.00 C ATOM 1577 C GLY A 103 -7.122 16.874 0.767 1.00 0.00 C ATOM 1578 O GLY A 103 -7.682 17.645 -0.010 1.00 0.00 O ATOM 0 H GLY A 103 -6.006 15.202 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.178 15.015 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.465 14.884 1.200 1.00 0.00 H new ATOM 1582 N PHE A 104 -6.428 17.286 1.824 1.00 0.00 N ATOM 1583 CA PHE A 104 -6.283 18.702 2.139 1.00 0.00 C ATOM 1584 C PHE A 104 -4.824 19.135 2.033 1.00 0.00 C ATOM 1585 O PHE A 104 -4.522 20.213 1.521 1.00 0.00 O ATOM 1586 CB PHE A 104 -6.811 18.991 3.546 1.00 0.00 C ATOM 1587 CG PHE A 104 -8.270 18.675 3.716 1.00 0.00 C ATOM 1588 CD1 PHE A 104 -9.224 19.305 2.934 1.00 0.00 C ATOM 1589 CD2 PHE A 104 -8.686 17.746 4.657 1.00 0.00 C ATOM 1590 CE1 PHE A 104 -10.567 19.016 3.088 1.00 0.00 C ATOM 1591 CE2 PHE A 104 -10.027 17.454 4.815 1.00 0.00 C ATOM 1592 CZ PHE A 104 -10.969 18.089 4.029 1.00 0.00 C ATOM 0 H PHE A 104 -5.958 16.659 2.476 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.867 19.271 1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.235 18.411 4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.646 20.043 3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.915 20.030 2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.954 17.245 5.273 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.301 19.515 2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.339 16.730 5.553 1.00 0.00 H new ATOM 0 HZ PHE A 104 -12.018 17.861 4.150 1.00 0.00 H new ATOM 1602 N SER A 105 -3.924 18.288 2.520 1.00 0.00 N ATOM 1603 CA SER A 105 -2.495 18.583 2.480 1.00 0.00 C ATOM 1604 C SER A 105 -1.681 17.305 2.303 1.00 0.00 C ATOM 1605 O SER A 105 -2.110 16.223 2.703 1.00 0.00 O ATOM 1606 CB SER A 105 -2.067 19.306 3.760 1.00 0.00 C ATOM 1607 OG SER A 105 -1.595 20.611 3.474 1.00 0.00 O ATOM 0 H SER A 105 -4.158 17.392 2.947 1.00 0.00 H new ATOM 0 HA SER A 105 -2.305 19.232 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.910 19.363 4.448 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.285 18.734 4.260 1.00 0.00 H new ATOM 0 HG SER A 105 -1.329 21.053 4.307 1.00 0.00 H new ATOM 1613 N GLU A 106 -0.504 17.439 1.699 1.00 0.00 N ATOM 1614 CA GLU A 106 0.370 16.295 1.468 1.00 0.00 C ATOM 1615 C GLU A 106 1.291 16.063 2.664 1.00 0.00 C ATOM 1616 O GLU A 106 1.684 17.007 3.348 1.00 0.00 O ATOM 1617 CB GLU A 106 1.204 16.513 0.204 1.00 0.00 C ATOM 1618 CG GLU A 106 0.428 16.284 -1.084 1.00 0.00 C ATOM 1619 CD GLU A 106 0.782 14.972 -1.754 1.00 0.00 C ATOM 1620 OE1 GLU A 106 1.937 14.522 -1.603 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -0.095 14.396 -2.431 1.00 0.00 O ATOM 0 H GLU A 106 -0.134 18.328 1.361 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.255 15.412 1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.594 17.531 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.063 15.842 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.640 16.300 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.626 17.105 -1.774 1.00 0.00 H new ATOM 1628 N PRO A 107 1.646 14.794 2.933 1.00 0.00 N ATOM 1629 CA PRO A 107 2.523 14.442 4.053 1.00 0.00 C ATOM 1630 C PRO A 107 3.973 14.844 3.803 1.00 0.00 C ATOM 1631 O PRO A 107 4.272 15.567 2.853 1.00 0.00 O ATOM 1632 CB PRO A 107 2.398 12.920 4.135 1.00 0.00 C ATOM 1633 CG PRO A 107 2.056 12.496 2.749 1.00 0.00 C ATOM 1634 CD PRO A 107 1.220 13.606 2.169 1.00 0.00 C ATOM 0 HA PRO A 107 2.239 14.958 4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 107 3.329 12.463 4.471 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.624 12.623 4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 107 2.957 12.336 2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 107 1.506 11.555 2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 107 1.402 13.729 1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 107 0.154 13.411 2.291 1.00 0.00 H new ATOM 1642 N GLY A 108 4.870 14.371 4.662 1.00 0.00 N ATOM 1643 CA GLY A 108 6.278 14.691 4.516 1.00 0.00 C ATOM 1644 C GLY A 108 7.111 13.483 4.137 1.00 0.00 C ATOM 1645 O GLY A 108 7.668 13.425 3.041 1.00 0.00 O ATOM 0 H GLY A 108 4.647 13.772 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.395 15.462 3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.652 15.107 5.452 1.00 0.00 H new ATOM 1649 N ASP A 109 7.196 12.517 5.044 1.00 0.00 N ATOM 1650 CA ASP A 109 7.967 11.303 4.800 1.00 0.00 C ATOM 1651 C ASP A 109 7.065 10.176 4.304 1.00 0.00 C ATOM 1652 O ASP A 109 7.503 9.300 3.558 1.00 0.00 O ATOM 1653 CB ASP A 109 8.692 10.868 6.074 1.00 0.00 C ATOM 1654 CG ASP A 109 9.730 11.878 6.522 1.00 0.00 C ATOM 1655 OD1 ASP A 109 9.337 12.923 7.085 1.00 0.00 O ATOM 1656 OD2 ASP A 109 10.934 11.626 6.311 1.00 0.00 O ATOM 0 H ASP A 109 6.740 12.550 5.956 1.00 0.00 H new ATOM 0 HA ASP A 109 8.705 11.521 4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 109 7.963 10.722 6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 109 9.175 9.906 5.903 1.00 0.00 H new ATOM 1661 N ALA A 110 5.804 10.205 4.723 1.00 0.00 N ATOM 1662 CA ALA A 110 4.840 9.187 4.322 1.00 0.00 C ATOM 1663 C ALA A 110 5.255 7.809 4.826 1.00 0.00 C ATOM 1664 O ALA A 110 6.430 7.565 5.098 1.00 0.00 O ATOM 1665 CB ALA A 110 4.685 9.173 2.808 1.00 0.00 C ATOM 0 H ALA A 110 5.426 10.923 5.341 1.00 0.00 H new ATOM 0 HA ALA A 110 3.879 9.435 4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.962 8.408 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.334 10.148 2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.647 8.953 2.346 1.00 0.00 H new ATOM 1671 N GLY A 111 4.282 6.913 4.948 1.00 0.00 N ATOM 1672 CA GLY A 111 4.565 5.570 5.419 1.00 0.00 C ATOM 1673 C GLY A 111 3.364 4.923 6.078 1.00 0.00 C ATOM 1674 O GLY A 111 3.466 4.393 7.185 1.00 0.00 O ATOM 0 H GLY A 111 3.302 7.093 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.891 4.955 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.391 5.604 6.129 1.00 0.00 H new ATOM 1678 N GLY A 112 2.223 4.966 5.398 1.00 0.00 N ATOM 1679 CA GLY A 112 1.013 4.376 5.941 1.00 0.00 C ATOM 1680 C GLY A 112 0.314 3.467 4.950 1.00 0.00 C ATOM 1681 O GLY A 112 0.747 3.333 3.806 1.00 0.00 O ATOM 0 H GLY A 112 2.114 5.399 4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.261 3.808 6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.331 5.170 6.245 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.770 2.839 5.392 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.534 1.937 4.539 1.00 0.00 C ATOM 1687 C ILE A 113 -3.007 2.328 4.502 1.00 0.00 C ATOM 1688 O ILE A 113 -3.556 2.811 5.492 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.409 0.474 5.011 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -1.994 0.311 6.417 1.00 0.00 C ATOM 1691 CG2 ILE A 113 0.046 0.031 4.980 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -1.854 -1.090 6.974 1.00 0.00 C ATOM 0 H ILE A 113 -1.140 2.938 6.337 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.116 2.022 3.536 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.977 -0.160 4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.500 1.012 7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -3.050 0.580 6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.119 -1.003 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.429 0.110 3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.635 0.669 5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.290 -1.130 7.972 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.372 -1.794 6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.798 -1.356 7.029 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.644 2.112 3.355 1.00 0.00 N ATOM 1705 CA LEU A 114 -5.056 2.438 3.194 1.00 0.00 C ATOM 1706 C LEU A 114 -5.921 1.264 3.640 1.00 0.00 C ATOM 1707 O LEU A 114 -5.853 0.178 3.066 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.355 2.793 1.732 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.834 2.762 1.338 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.649 3.663 2.250 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -7.006 3.170 -0.117 1.00 0.00 C ATOM 0 H LEU A 114 -3.205 1.713 2.525 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.290 3.301 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.964 3.790 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.811 2.101 1.089 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.200 1.742 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.697 3.628 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.551 3.322 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.284 4.687 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.063 3.142 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.623 4.181 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.455 2.480 -0.756 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.723 1.486 4.677 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.586 0.436 5.206 1.00 0.00 C ATOM 1725 C ARG A 115 -9.061 0.808 5.094 1.00 0.00 C ATOM 1726 O ARG A 115 -9.422 1.986 5.091 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.234 0.147 6.666 1.00 0.00 C ATOM 1728 CG ARG A 115 -7.025 1.400 7.502 1.00 0.00 C ATOM 1729 CD ARG A 115 -5.550 1.648 7.778 1.00 0.00 C ATOM 1730 NE ARG A 115 -5.164 1.214 9.118 1.00 0.00 N ATOM 1731 CZ ARG A 115 -3.915 1.246 9.577 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -2.929 1.691 8.807 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -3.650 0.833 10.809 1.00 0.00 N ATOM 0 H ARG A 115 -6.793 2.379 5.165 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.418 -0.459 4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.031 -0.448 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.327 -0.457 6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.448 2.260 6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.561 1.302 8.446 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -4.949 1.119 7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.333 2.710 7.664 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.895 0.866 9.739 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.127 2.010 7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.974 1.713 9.164 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.403 0.491 11.405 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.693 0.858 11.160 1.00 0.00 H new ATOM 1747 N CYS A 116 -9.906 -0.214 5.010 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.347 -0.021 4.908 1.00 0.00 C ATOM 1749 C CYS A 116 -12.049 -0.635 6.112 1.00 0.00 C ATOM 1750 O CYS A 116 -11.474 -1.461 6.821 1.00 0.00 O ATOM 1751 CB CYS A 116 -11.879 -0.652 3.619 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.498 -0.005 3.085 1.00 0.00 S ATOM 0 H CYS A 116 -9.614 -1.191 5.011 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.551 1.050 4.887 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -11.154 -0.489 2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.960 -1.730 3.761 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.295 -0.235 6.336 1.00 0.00 N ATOM 1758 CA GLU A 117 -14.072 -0.757 7.456 1.00 0.00 C ATOM 1759 C GLU A 117 -14.149 -2.282 7.403 1.00 0.00 C ATOM 1760 O GLU A 117 -14.418 -2.933 8.413 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.481 -0.162 7.446 1.00 0.00 C ATOM 1762 CG GLU A 117 -15.503 1.351 7.577 1.00 0.00 C ATOM 1763 CD GLU A 117 -15.726 1.810 9.006 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -16.685 1.324 9.642 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -14.941 2.652 9.488 1.00 0.00 O ATOM 0 H GLU A 117 -13.789 0.447 5.760 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.570 -0.470 8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.979 -0.445 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -16.056 -0.598 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.560 1.757 7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.291 1.756 6.942 1.00 0.00 H new ATOM 1772 N HIS A 118 -13.919 -2.846 6.219 1.00 0.00 N ATOM 1773 CA HIS A 118 -13.968 -4.291 6.037 1.00 0.00 C ATOM 1774 C HIS A 118 -12.600 -4.930 6.273 1.00 0.00 C ATOM 1775 O HIS A 118 -12.511 -6.046 6.786 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.466 -4.623 4.628 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.746 -3.931 4.272 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.837 -2.569 4.077 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -16.993 -4.420 4.075 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -17.084 -2.250 3.778 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.805 -3.355 3.768 1.00 0.00 N ATOM 0 H HIS A 118 -13.697 -2.322 5.372 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.660 -4.700 6.773 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.699 -4.347 3.905 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.609 -5.700 4.545 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.294 -5.455 4.146 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.451 -1.254 3.576 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -18.803 -3.410 3.565 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.536 -4.223 5.899 1.00 0.00 N ATOM 1790 CA GLY A 119 -10.194 -4.753 6.086 1.00 0.00 C ATOM 1791 C GLY A 119 -9.115 -3.839 5.543 1.00 0.00 C ATOM 1792 O GLY A 119 -9.179 -2.621 5.702 1.00 0.00 O ATOM 0 H GLY A 119 -11.578 -3.298 5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.020 -4.920 7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.121 -5.724 5.595 1.00 0.00 H new ATOM 1796 N VAL A 120 -8.116 -4.441 4.906 1.00 0.00 N ATOM 1797 CA VAL A 120 -7.000 -3.694 4.334 1.00 0.00 C ATOM 1798 C VAL A 120 -7.151 -3.546 2.823 1.00 0.00 C ATOM 1799 O VAL A 120 -7.477 -4.505 2.127 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.649 -4.381 4.624 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.501 -3.422 4.373 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.599 -4.923 6.046 1.00 0.00 C ATOM 0 H VAL A 120 -8.056 -5.450 4.772 1.00 0.00 H new ATOM 0 HA VAL A 120 -7.014 -2.710 4.804 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.548 -5.227 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.556 -3.923 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.518 -3.099 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.603 -2.554 5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.635 -5.401 6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.730 -4.103 6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.396 -5.653 6.185 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.900 -2.342 2.320 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.996 -2.080 0.888 1.00 0.00 C ATOM 1814 C ILE A 121 -5.632 -2.228 0.222 1.00 0.00 C ATOM 1815 O ILE A 121 -5.418 -3.131 -0.588 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.540 -0.667 0.603 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -8.879 -0.450 1.332 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.672 -0.441 -0.901 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -10.101 -0.462 0.432 1.00 0.00 C ATOM 0 H ILE A 121 -6.629 -1.534 2.881 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.690 -2.813 0.476 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.833 0.069 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -8.995 -1.226 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -8.841 0.505 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.058 0.562 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.695 -0.547 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.358 -1.177 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.997 -0.302 1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -10.014 0.332 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.171 -1.425 -0.074 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.711 -1.334 0.571 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.379 -1.380 0.000 1.00 0.00 C ATOM 1833 C GLY A 122 -2.381 -0.550 0.784 1.00 0.00 C ATOM 1834 O GLY A 122 -2.623 -0.206 1.941 1.00 0.00 O ATOM 0 H GLY A 122 -4.865 -0.579 1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.038 -2.415 -0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.416 -1.022 -1.029 1.00 0.00 H new ATOM 1838 N LEU A 123 -1.258 -0.229 0.152 1.00 0.00 N ATOM 1839 CA LEU A 123 -0.217 0.567 0.793 1.00 0.00 C ATOM 1840 C LEU A 123 -0.025 1.889 0.061 1.00 0.00 C ATOM 1841 O LEU A 123 -0.480 2.053 -1.069 1.00 0.00 O ATOM 1842 CB LEU A 123 1.101 -0.210 0.828 1.00 0.00 C ATOM 1843 CG LEU A 123 1.502 -0.863 -0.495 1.00 0.00 C ATOM 1844 CD1 LEU A 123 3.015 -0.878 -0.642 1.00 0.00 C ATOM 1845 CD2 LEU A 123 0.939 -2.273 -0.582 1.00 0.00 C ATOM 0 H LEU A 123 -1.044 -0.508 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.529 0.778 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.897 0.468 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.028 -0.985 1.591 1.00 0.00 H new ATOM 0 HG LEU A 123 1.085 -0.276 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.284 -1.346 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.393 0.144 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.455 -1.443 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.233 -2.724 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.328 -2.872 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.149 -2.235 -0.520 1.00 0.00 H new ATOM 1857 N VAL A 124 0.644 2.834 0.712 1.00 0.00 N ATOM 1858 CA VAL A 124 0.881 4.142 0.116 1.00 0.00 C ATOM 1859 C VAL A 124 1.946 4.079 -0.975 1.00 0.00 C ATOM 1860 O VAL A 124 3.039 3.555 -0.762 1.00 0.00 O ATOM 1861 CB VAL A 124 1.312 5.177 1.172 1.00 0.00 C ATOM 1862 CG1 VAL A 124 0.188 5.428 2.165 1.00 0.00 C ATOM 1863 CG2 VAL A 124 2.576 4.721 1.887 1.00 0.00 C ATOM 0 H VAL A 124 1.030 2.719 1.649 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.066 4.452 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 124 1.531 6.116 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.512 6.162 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.687 5.807 1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -0.068 4.496 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.863 5.466 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.390 3.768 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.381 4.601 1.162 1.00 0.00 H new ATOM 1873 N THR A 125 1.622 4.631 -2.143 1.00 0.00 N ATOM 1874 CA THR A 125 2.555 4.652 -3.265 1.00 0.00 C ATOM 1875 C THR A 125 3.040 6.081 -3.520 1.00 0.00 C ATOM 1876 O THR A 125 3.997 6.529 -2.889 1.00 0.00 O ATOM 1877 CB THR A 125 1.909 4.039 -4.518 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.879 2.627 -4.416 1.00 0.00 O ATOM 1879 CG2 THR A 125 2.627 4.383 -5.810 1.00 0.00 C ATOM 0 H THR A 125 0.721 5.069 -2.336 1.00 0.00 H new ATOM 0 HA THR A 125 3.424 4.043 -3.016 1.00 0.00 H new ATOM 0 HB THR A 125 0.907 4.466 -4.559 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.701 2.254 -4.798 1.00 0.00 H new ATOM 0 HG21 THR A 125 2.112 3.914 -6.648 1.00 0.00 H new ATOM 0 HG22 THR A 125 2.633 5.464 -5.946 1.00 0.00 H new ATOM 0 HG23 THR A 125 3.653 4.018 -5.765 1.00 0.00 H new ATOM 1887 N MET A 126 2.390 6.807 -4.433 1.00 0.00 N ATOM 1888 CA MET A 126 2.802 8.180 -4.716 1.00 0.00 C ATOM 1889 C MET A 126 1.609 9.078 -5.028 1.00 0.00 C ATOM 1890 O MET A 126 0.657 8.660 -5.681 1.00 0.00 O ATOM 1891 CB MET A 126 3.805 8.206 -5.870 1.00 0.00 C ATOM 1892 CG MET A 126 5.253 8.186 -5.403 1.00 0.00 C ATOM 1893 SD MET A 126 5.678 9.627 -4.409 1.00 0.00 S ATOM 1894 CE MET A 126 6.491 10.646 -5.637 1.00 0.00 C ATOM 0 H MET A 126 1.594 6.475 -4.977 1.00 0.00 H new ATOM 0 HA MET A 126 3.281 8.572 -3.818 1.00 0.00 H new ATOM 0 HB2 MET A 126 3.627 7.348 -6.518 1.00 0.00 H new ATOM 0 HB3 MET A 126 3.636 9.100 -6.471 1.00 0.00 H new ATOM 0 HG2 MET A 126 5.431 7.282 -4.821 1.00 0.00 H new ATOM 0 HG3 MET A 126 5.911 8.141 -6.271 1.00 0.00 H new ATOM 0 HE1 MET A 126 7.281 11.228 -5.162 1.00 0.00 H new ATOM 0 HE2 MET A 126 6.923 10.010 -6.409 1.00 0.00 H new ATOM 0 HE3 MET A 126 5.764 11.322 -6.088 1.00 0.00 H new ATOM 1904 N GLY A 127 1.671 10.318 -4.554 1.00 0.00 N ATOM 1905 CA GLY A 127 0.590 11.258 -4.792 1.00 0.00 C ATOM 1906 C GLY A 127 1.005 12.408 -5.690 1.00 0.00 C ATOM 1907 O GLY A 127 2.159 12.489 -6.114 1.00 0.00 O ATOM 0 H GLY A 127 2.450 10.689 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -0.250 10.733 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 127 0.241 11.654 -3.838 1.00 0.00 H new ATOM 1911 N GLY A 128 0.062 13.300 -5.981 1.00 0.00 N ATOM 1912 CA GLY A 128 0.353 14.440 -6.831 1.00 0.00 C ATOM 1913 C GLY A 128 0.393 15.744 -6.059 1.00 0.00 C ATOM 1914 O GLY A 128 0.918 15.798 -4.947 1.00 0.00 O ATOM 0 H GLY A 128 -0.899 13.253 -5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.312 14.285 -7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.403 14.508 -7.614 1.00 0.00 H new ATOM 1918 N GLU A 129 -0.164 16.799 -6.649 1.00 0.00 N ATOM 1919 CA GLU A 129 -0.188 18.107 -6.005 1.00 0.00 C ATOM 1920 C GLU A 129 -1.182 18.131 -4.847 1.00 0.00 C ATOM 1921 O GLU A 129 -1.104 18.989 -3.967 1.00 0.00 O ATOM 1922 CB GLU A 129 -0.549 19.192 -7.022 1.00 0.00 C ATOM 1923 CG GLU A 129 0.255 19.110 -8.310 1.00 0.00 C ATOM 1924 CD GLU A 129 -0.575 19.437 -9.536 1.00 0.00 C ATOM 1925 OE1 GLU A 129 -0.837 20.634 -9.774 1.00 0.00 O ATOM 1926 OE2 GLU A 129 -0.965 18.494 -10.257 1.00 0.00 O ATOM 0 H GLU A 129 -0.603 16.773 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 129 0.808 18.304 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -1.610 19.117 -7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -0.393 20.171 -6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 129 1.098 19.798 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 129 0.669 18.107 -8.413 1.00 0.00 H new ATOM 1933 N GLY A 130 -2.116 17.184 -4.849 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.108 17.116 -3.791 1.00 0.00 C ATOM 1935 C GLY A 130 -3.857 15.795 -3.770 1.00 0.00 C ATOM 1936 O GLY A 130 -4.939 15.699 -3.187 1.00 0.00 O ATOM 0 H GLY A 130 -2.203 16.463 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -2.617 17.266 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.821 17.931 -3.915 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.282 14.774 -4.402 1.00 0.00 N ATOM 1941 CA VAL A 131 -3.901 13.454 -4.451 1.00 0.00 C ATOM 1942 C VAL A 131 -2.971 12.403 -3.852 1.00 0.00 C ATOM 1943 O VAL A 131 -1.760 12.605 -3.778 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.277 13.049 -5.893 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.453 12.085 -5.890 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -4.596 14.275 -6.737 1.00 0.00 C ATOM 0 H VAL A 131 -2.387 14.837 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.817 13.508 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.418 12.545 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.702 11.812 -6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.187 11.188 -5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.314 12.563 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.858 13.963 -7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.435 14.813 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.724 14.929 -6.773 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.544 11.288 -3.407 1.00 0.00 N ATOM 1957 CA VAL A 132 -2.763 10.219 -2.794 1.00 0.00 C ATOM 1958 C VAL A 132 -2.806 8.936 -3.624 1.00 0.00 C ATOM 1959 O VAL A 132 -3.868 8.347 -3.809 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.285 9.912 -1.372 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -3.355 11.178 -0.536 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -4.652 9.243 -1.425 1.00 0.00 C ATOM 0 H VAL A 132 -4.545 11.102 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.732 10.568 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.582 9.224 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.725 10.936 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.361 11.617 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -4.030 11.891 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -4.996 9.038 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.362 9.904 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.578 8.307 -1.979 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.645 8.491 -4.100 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.593 7.266 -4.880 1.00 0.00 C ATOM 1974 C GLY A 133 -1.208 6.074 -4.026 1.00 0.00 C ATOM 1975 O GLY A 133 -0.107 6.030 -3.477 1.00 0.00 O ATOM 0 H GLY A 133 -0.746 8.953 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.565 7.086 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.873 7.381 -5.690 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.118 5.115 -3.897 1.00 0.00 N ATOM 1980 CA PHE A 134 -1.863 3.929 -3.084 1.00 0.00 C ATOM 1981 C PHE A 134 -1.852 2.660 -3.926 1.00 0.00 C ATOM 1982 O PHE A 134 -2.656 2.501 -4.841 1.00 0.00 O ATOM 1983 CB PHE A 134 -2.924 3.801 -1.989 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.086 5.034 -1.145 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.009 5.867 -0.887 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.318 5.351 -0.599 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -2.159 6.992 -0.101 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -4.475 6.476 0.185 1.00 0.00 C ATOM 1989 CZ PHE A 134 -3.394 7.298 0.436 1.00 0.00 C ATOM 0 H PHE A 134 -3.035 5.134 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 134 -0.878 4.049 -2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -3.881 3.562 -2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.664 2.963 -1.343 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.041 5.633 -1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -5.166 4.710 -0.789 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.311 7.632 0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -5.443 6.713 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 134 -3.514 8.178 1.051 1.00 0.00 H new ATOM 1999 N ALA A 135 -0.949 1.746 -3.595 1.00 0.00 N ATOM 2000 CA ALA A 135 -0.850 0.478 -4.303 1.00 0.00 C ATOM 2001 C ALA A 135 -1.765 -0.556 -3.655 1.00 0.00 C ATOM 2002 O ALA A 135 -1.515 -1.007 -2.537 1.00 0.00 O ATOM 2003 CB ALA A 135 0.592 -0.004 -4.317 1.00 0.00 C ATOM 0 H ALA A 135 -0.274 1.860 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.171 0.620 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.653 -0.953 -4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 135 1.218 0.734 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.940 -0.139 -3.293 1.00 0.00 H new ATOM 2009 N ASP A 136 -2.839 -0.907 -4.353 1.00 0.00 N ATOM 2010 CA ASP A 136 -3.809 -1.867 -3.833 1.00 0.00 C ATOM 2011 C ASP A 136 -3.224 -3.272 -3.732 1.00 0.00 C ATOM 2012 O ASP A 136 -2.328 -3.645 -4.490 1.00 0.00 O ATOM 2013 CB ASP A 136 -5.058 -1.886 -4.715 1.00 0.00 C ATOM 2014 CG ASP A 136 -6.332 -1.699 -3.913 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -6.314 -1.984 -2.698 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -7.346 -1.270 -4.502 1.00 0.00 O ATOM 0 H ASP A 136 -3.061 -0.542 -5.279 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.077 -1.546 -2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -4.983 -1.097 -5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.106 -2.833 -5.253 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.755 -4.049 -2.790 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.312 -5.422 -2.578 1.00 0.00 C ATOM 2023 C VAL A 137 -4.268 -6.412 -3.247 1.00 0.00 C ATOM 2024 O VAL A 137 -4.169 -7.621 -3.044 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.215 -5.745 -1.069 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.686 -7.153 -0.843 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.339 -4.723 -0.361 1.00 0.00 C ATOM 0 H VAL A 137 -4.497 -3.747 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.324 -5.520 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.219 -5.693 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.628 -7.353 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.357 -7.873 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.693 -7.244 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.282 -4.966 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.338 -4.741 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.769 -3.729 -0.483 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.195 -5.892 -4.048 1.00 0.00 N ATOM 2038 CA ARG A 138 -6.162 -6.734 -4.743 1.00 0.00 C ATOM 2039 C ARG A 138 -5.505 -7.515 -5.882 1.00 0.00 C ATOM 2040 O ARG A 138 -6.136 -8.377 -6.494 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.316 -5.887 -5.286 1.00 0.00 C ATOM 2042 CG ARG A 138 -7.735 -4.758 -4.356 1.00 0.00 C ATOM 2043 CD ARG A 138 -9.244 -4.575 -4.346 1.00 0.00 C ATOM 2044 NE ARG A 138 -9.764 -4.268 -5.676 1.00 0.00 N ATOM 2045 CZ ARG A 138 -10.832 -3.503 -5.902 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -11.508 -2.972 -4.890 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -11.227 -3.271 -7.146 1.00 0.00 N ATOM 0 H ARG A 138 -5.296 -4.894 -4.231 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.554 -7.451 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -7.024 -5.465 -6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -8.175 -6.533 -5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.386 -4.970 -3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -7.257 -3.830 -4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -9.717 -5.483 -3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -9.508 -3.771 -3.659 1.00 0.00 H new ATOM 0 HE ARG A 138 -9.280 -4.664 -6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -11.211 -3.148 -3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -12.324 -2.388 -5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -10.714 -3.678 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -12.044 -2.686 -7.321 1.00 0.00 H new ATOM 2061 N ASP A 139 -4.236 -7.218 -6.159 1.00 0.00 N ATOM 2062 CA ASP A 139 -3.509 -7.906 -7.221 1.00 0.00 C ATOM 2063 C ASP A 139 -2.705 -9.077 -6.659 1.00 0.00 C ATOM 2064 O ASP A 139 -1.872 -9.659 -7.354 1.00 0.00 O ATOM 2065 CB ASP A 139 -2.577 -6.932 -7.944 1.00 0.00 C ATOM 2066 CG ASP A 139 -2.537 -7.174 -9.439 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -1.982 -8.212 -9.858 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -3.059 -6.326 -10.193 1.00 0.00 O ATOM 0 H ASP A 139 -3.694 -6.509 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 139 -4.237 -8.296 -7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -2.904 -5.910 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -1.570 -7.026 -7.536 1.00 0.00 H new ATOM 2073 N LEU A 140 -2.958 -9.416 -5.397 1.00 0.00 N ATOM 2074 CA LEU A 140 -2.260 -10.514 -4.742 1.00 0.00 C ATOM 2075 C LEU A 140 -2.807 -10.724 -3.335 1.00 0.00 C ATOM 2076 O LEU A 140 -2.076 -10.642 -2.352 1.00 0.00 O ATOM 2077 CB LEU A 140 -0.743 -10.255 -4.707 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.260 -8.996 -3.955 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.330 -7.918 -3.897 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.199 -9.355 -2.551 1.00 0.00 C ATOM 0 H LEU A 140 -3.644 -8.943 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.431 -11.424 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -0.262 -11.123 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.387 -10.192 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 140 0.583 -8.592 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -0.945 -7.052 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -1.605 -7.623 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.209 -8.305 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.536 -8.455 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.630 -9.799 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 140 1.021 -10.069 -2.608 1.00 0.00 H new ATOM 2092 N LEU A 141 -4.107 -10.986 -3.253 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.769 -11.196 -1.971 1.00 0.00 C ATOM 2094 C LEU A 141 -4.407 -12.547 -1.357 1.00 0.00 C ATOM 2095 O LEU A 141 -4.656 -12.781 -0.175 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.285 -11.089 -2.134 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.953 -10.043 -1.241 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.378 -10.082 0.167 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.806 -8.654 -1.847 1.00 0.00 C ATOM 0 H LEU A 141 -4.724 -11.058 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.420 -10.417 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.509 -10.854 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.729 -12.062 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 141 -8.015 -10.279 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.870 -9.328 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.543 -11.068 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.308 -9.877 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.287 -7.921 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.748 -8.411 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -7.277 -8.634 -2.830 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.831 -13.435 -2.159 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.452 -14.762 -1.682 1.00 0.00 C ATOM 2113 C TRP A 142 -2.505 -14.677 -0.483 1.00 0.00 C ATOM 2114 O TRP A 142 -1.287 -14.780 -0.630 1.00 0.00 O ATOM 2115 CB TRP A 142 -2.806 -15.578 -2.810 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.644 -14.896 -3.471 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.689 -13.831 -4.327 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.263 -15.244 -3.338 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.419 -13.490 -4.723 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.474 -14.343 -4.129 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.424 -16.226 -2.621 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.862 -14.398 -4.223 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.802 -16.279 -2.715 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.508 -15.369 -3.510 1.00 0.00 C ATOM 0 H TRP A 142 -3.616 -13.262 -3.141 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.362 -15.267 -1.358 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.471 -16.534 -2.407 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.562 -15.797 -3.564 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.592 -13.331 -4.645 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.180 -12.727 -5.356 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -0.112 -16.932 -2.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.409 -13.698 -4.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.343 -17.035 -2.166 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.585 -15.435 -3.561 1.00 0.00 H new ATOM 2135 N LEU A 143 -3.082 -14.502 0.706 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.307 -14.417 1.942 1.00 0.00 C ATOM 2137 C LEU A 143 -3.125 -14.926 3.125 1.00 0.00 C ATOM 2138 O LEU A 143 -2.640 -15.714 3.936 1.00 0.00 O ATOM 2139 CB LEU A 143 -1.856 -12.976 2.215 1.00 0.00 C ATOM 2140 CG LEU A 143 -1.030 -12.314 1.107 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.943 -11.611 0.123 1.00 0.00 C ATOM 2142 CD2 LEU A 143 -0.032 -11.329 1.697 1.00 0.00 C ATOM 0 H LEU A 143 -4.090 -14.416 0.838 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.423 -15.043 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.741 -12.366 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.270 -12.967 3.134 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.475 -13.090 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.344 -11.145 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.623 -12.336 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.519 -10.846 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.544 -10.870 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.567 -10.555 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.642 -11.855 2.373 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.371 -14.468 3.218 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.257 -14.877 4.304 1.00 0.00 C ATOM 2156 C GLU A 144 -6.719 -14.832 3.866 1.00 0.00 C ATOM 2157 O GLU A 144 -7.019 -14.727 2.676 1.00 0.00 O ATOM 2158 CB GLU A 144 -5.044 -13.980 5.526 1.00 0.00 C ATOM 2159 CG GLU A 144 -4.467 -14.714 6.725 1.00 0.00 C ATOM 2160 CD GLU A 144 -5.536 -15.178 7.695 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -6.511 -14.427 7.909 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -5.400 -16.295 8.238 1.00 0.00 O ATOM 0 H GLU A 144 -4.789 -13.815 2.556 1.00 0.00 H new ATOM 0 HA GLU A 144 -5.014 -15.906 4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -4.376 -13.163 5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -5.997 -13.532 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -3.897 -15.576 6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -3.769 -14.059 7.246 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.625 -14.918 4.836 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.056 -14.891 4.557 1.00 0.00 C ATOM 2171 C ASP A 145 -9.491 -13.533 4.013 1.00 0.00 C ATOM 2172 O ASP A 145 -8.913 -12.500 4.353 1.00 0.00 O ATOM 2173 CB ASP A 145 -9.849 -15.227 5.823 1.00 0.00 C ATOM 2174 CG ASP A 145 -10.468 -16.610 5.766 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -9.835 -17.521 5.193 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -11.587 -16.781 6.295 1.00 0.00 O ATOM 0 H ASP A 145 -7.392 -15.007 5.825 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.262 -15.642 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -9.190 -15.162 6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -10.635 -14.485 5.964 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.515 -13.547 3.166 1.00 0.00 N ATOM 2182 CA ASP A 146 -11.042 -12.324 2.567 1.00 0.00 C ATOM 2183 C ASP A 146 -12.230 -11.797 3.369 1.00 0.00 C ATOM 2184 O ASP A 146 -12.910 -12.561 4.054 1.00 0.00 O ATOM 2185 CB ASP A 146 -11.464 -12.586 1.119 1.00 0.00 C ATOM 2186 CG ASP A 146 -10.436 -13.398 0.354 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -9.286 -12.927 0.222 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -10.781 -14.502 -0.114 1.00 0.00 O ATOM 0 H ASP A 146 -11.000 -14.397 2.877 1.00 0.00 H new ATOM 0 HA ASP A 146 -10.255 -11.570 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -12.418 -13.113 1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.622 -11.634 0.612 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.476 -10.490 3.287 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.584 -9.883 4.017 1.00 0.00 C ATOM 2195 C ALA A 147 -14.923 -10.423 3.531 1.00 0.00 C ATOM 2196 O ALA A 147 -15.097 -10.708 2.347 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.546 -8.368 3.883 1.00 0.00 C ATOM 0 H ALA A 147 -11.927 -9.837 2.727 1.00 0.00 H new ATOM 0 HA ALA A 147 -13.474 -10.144 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -14.380 -7.933 4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -12.607 -7.990 4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -13.624 -8.094 2.831 1.00 0.00 H new ATOM 2203 N MET A 148 -15.866 -10.563 4.458 1.00 0.00 N ATOM 2204 CA MET A 148 -17.196 -11.071 4.131 1.00 0.00 C ATOM 2205 C MET A 148 -18.030 -11.256 5.395 1.00 0.00 C ATOM 2206 O MET A 148 -19.248 -11.078 5.379 1.00 0.00 O ATOM 2207 CB MET A 148 -17.093 -12.400 3.378 1.00 0.00 C ATOM 2208 CG MET A 148 -16.092 -13.369 3.984 1.00 0.00 C ATOM 2209 SD MET A 148 -15.515 -14.601 2.800 1.00 0.00 S ATOM 2210 CE MET A 148 -16.269 -16.085 3.463 1.00 0.00 C ATOM 0 H MET A 148 -15.734 -10.332 5.443 1.00 0.00 H new ATOM 0 HA MET A 148 -17.688 -10.339 3.491 1.00 0.00 H new ATOM 0 HB2 MET A 148 -18.075 -12.872 3.356 1.00 0.00 H new ATOM 0 HB3 MET A 148 -16.812 -12.201 2.344 1.00 0.00 H new ATOM 0 HG2 MET A 148 -15.238 -12.811 4.367 1.00 0.00 H new ATOM 0 HG3 MET A 148 -16.550 -13.874 4.834 1.00 0.00 H new ATOM 0 HE1 MET A 148 -16.266 -16.866 2.702 1.00 0.00 H new ATOM 0 HE2 MET A 148 -15.704 -16.423 4.332 1.00 0.00 H new ATOM 0 HE3 MET A 148 -17.296 -15.870 3.759 1.00 0.00 H new ATOM 2220 N GLU A 149 -17.366 -11.616 6.490 1.00 0.00 N ATOM 2221 CA GLU A 149 -18.043 -11.828 7.766 1.00 0.00 C ATOM 2222 C GLU A 149 -18.949 -13.054 7.703 1.00 0.00 C ATOM 2223 O GLU A 149 -20.144 -12.943 7.432 1.00 0.00 O ATOM 2224 CB GLU A 149 -18.860 -10.592 8.152 1.00 0.00 C ATOM 2225 CG GLU A 149 -18.076 -9.293 8.056 1.00 0.00 C ATOM 2226 CD GLU A 149 -18.970 -8.086 7.856 1.00 0.00 C ATOM 2227 OE1 GLU A 149 -19.971 -7.959 8.594 1.00 0.00 O ATOM 2228 OE2 GLU A 149 -18.670 -7.267 6.962 1.00 0.00 O ATOM 0 H GLU A 149 -16.358 -11.767 6.519 1.00 0.00 H new ATOM 0 HA GLU A 149 -17.281 -11.999 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -19.735 -10.528 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -19.226 -10.712 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -17.489 -9.159 8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -17.370 -9.359 7.228 1.00 0.00 H new ATOM 2235 N GLN A 150 -18.368 -14.223 7.956 1.00 0.00 N ATOM 2236 CA GLN A 150 -19.119 -15.473 7.929 1.00 0.00 C ATOM 2237 C GLN A 150 -19.219 -16.078 9.325 1.00 0.00 C ATOM 2238 O GLN A 150 -18.193 -16.594 9.819 1.00 0.00 O ATOM 2239 CB GLN A 150 -18.458 -16.469 6.974 1.00 0.00 C ATOM 2240 CG GLN A 150 -16.942 -16.508 7.089 1.00 0.00 C ATOM 2241 CD GLN A 150 -16.367 -17.872 6.768 1.00 0.00 C ATOM 2242 OE1 GLN A 150 -17.104 -18.839 6.570 1.00 0.00 O ATOM 2243 NE2 GLN A 150 -15.043 -17.959 6.714 1.00 0.00 N ATOM 2244 OXT GLN A 150 -20.320 -16.033 9.913 1.00 0.00 O ATOM 0 H GLN A 150 -17.379 -14.330 8.182 1.00 0.00 H new ATOM 0 HA GLN A 150 -20.127 -15.255 7.575 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.855 -17.465 7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -18.730 -16.213 5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -16.511 -15.769 6.414 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -16.651 -16.224 8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -14.470 -17.132 6.885 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -14.599 -18.852 6.502 1.00 0.00 H new TER 2253 GLN A 150 HETATM 2254 ZN ZN A 151 -14.909 -1.697 2.406 1.00 0.00 ZN