USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 799 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 58 ASN : amide:sc= -0.0489 X(o=-0.16,f=-0.58) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -0.108 F(o=-1.6,f=-0.16) USER MOD Set 2.1: A 51 THR OG1 : rot 88:sc= 1.07 USER MOD Set 2.2: A 52 HIS : no HD1:sc= 0.383 K(o=1.5,f=-4.9!) USER MOD Set 3.1: A 19 SER OG : rot -132:sc= -0.18 USER MOD Set 3.2: A 50 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0668 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.327 USER MOD Single : A 3 SER OG : rot 180:sc= -0.011 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -3.41 K(o=-3.4,f=-6!) USER MOD Single : A 16 CYS SG : rot 64:sc= 1.21 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -141:sc= -0.127 (180deg=-2.41!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 171:sc= -0.0929 USER MOD Single : A 37 MET CE :methyl 169:sc= -0.0197 (180deg=-0.287) USER MOD Single : A 38 GLN : amide:sc= -3.29! C(o=-3.3!,f=-3.6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 156:sc= -0.129 (180deg=-0.572) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 27:sc= 0.329 USER MOD Single : A 84 GLN : amide:sc= -0.252 X(o=-0.25,f=0) USER MOD Single : A 85 MET CE :methyl 172:sc= -2.9! (180deg=-3.37!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -145:sc= -2.59 (180deg=-6.31!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -128:sc= 0.709 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0891 X(o=-0.089,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 43:sc= 0.567 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.813 37.528 -18.714 1.00 0.00 N ATOM 2 CA GLY A 1 -2.880 37.413 -17.269 1.00 0.00 C ATOM 3 C GLY A 1 -4.124 36.684 -16.802 1.00 0.00 C ATOM 4 O GLY A 1 -5.070 36.504 -17.568 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.063 36.905 -19.077 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.726 37.249 -19.127 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.602 38.512 -18.974 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.997 36.886 -16.908 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.859 38.409 -16.827 1.00 0.00 H new ATOM 8 N SER A 2 -4.122 36.262 -15.541 1.00 0.00 N ATOM 9 CA SER A 2 -5.258 35.543 -14.975 1.00 0.00 C ATOM 10 C SER A 2 -5.366 35.795 -13.474 1.00 0.00 C ATOM 11 O SER A 2 -4.515 36.457 -12.882 1.00 0.00 O ATOM 12 CB SER A 2 -5.124 34.042 -15.244 1.00 0.00 C ATOM 13 OG SER A 2 -5.445 33.734 -16.589 1.00 0.00 O ATOM 0 H SER A 2 -3.348 36.405 -14.893 1.00 0.00 H new ATOM 0 HA SER A 2 -6.165 35.911 -15.454 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.105 33.720 -15.027 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.782 33.489 -14.574 1.00 0.00 H new ATOM 0 HG SER A 2 -5.480 34.560 -17.114 1.00 0.00 H new ATOM 19 N SER A 3 -6.421 35.261 -12.866 1.00 0.00 N ATOM 20 CA SER A 3 -6.644 35.430 -11.435 1.00 0.00 C ATOM 21 C SER A 3 -7.115 34.125 -10.800 1.00 0.00 C ATOM 22 O SER A 3 -7.593 33.224 -11.488 1.00 0.00 O ATOM 23 CB SER A 3 -7.676 36.532 -11.185 1.00 0.00 C ATOM 24 OG SER A 3 -7.800 36.811 -9.802 1.00 0.00 O ATOM 0 H SER A 3 -7.134 34.708 -13.342 1.00 0.00 H new ATOM 0 HA SER A 3 -5.697 35.716 -10.977 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.382 37.437 -11.717 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.643 36.227 -11.586 1.00 0.00 H new ATOM 0 HG SER A 3 -8.464 37.519 -9.669 1.00 0.00 H new ATOM 30 N GLY A 4 -6.974 34.031 -9.481 1.00 0.00 N ATOM 31 CA GLY A 4 -7.388 32.833 -8.775 1.00 0.00 C ATOM 32 C GLY A 4 -6.405 31.692 -8.942 1.00 0.00 C ATOM 33 O GLY A 4 -6.286 31.119 -10.024 1.00 0.00 O ATOM 0 H GLY A 4 -6.581 34.763 -8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.499 33.060 -7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.367 32.521 -9.139 1.00 0.00 H new ATOM 37 N SER A 5 -5.695 31.362 -7.867 1.00 0.00 N ATOM 38 CA SER A 5 -4.712 30.286 -7.900 1.00 0.00 C ATOM 39 C SER A 5 -5.344 28.960 -7.487 1.00 0.00 C ATOM 40 O SER A 5 -5.994 28.868 -6.445 1.00 0.00 O ATOM 41 CB SER A 5 -3.535 30.612 -6.979 1.00 0.00 C ATOM 42 OG SER A 5 -2.624 29.529 -6.913 1.00 0.00 O ATOM 0 H SER A 5 -5.783 31.825 -6.962 1.00 0.00 H new ATOM 0 HA SER A 5 -4.348 30.192 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.021 31.502 -7.342 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.904 30.842 -5.980 1.00 0.00 H new ATOM 0 HG SER A 5 -1.880 29.763 -6.320 1.00 0.00 H new ATOM 48 N SER A 6 -5.148 27.936 -8.310 1.00 0.00 N ATOM 49 CA SER A 6 -5.701 26.615 -8.033 1.00 0.00 C ATOM 50 C SER A 6 -4.601 25.558 -8.017 1.00 0.00 C ATOM 51 O SER A 6 -3.789 25.477 -8.937 1.00 0.00 O ATOM 52 CB SER A 6 -6.757 26.252 -9.078 1.00 0.00 C ATOM 53 OG SER A 6 -7.760 27.250 -9.157 1.00 0.00 O ATOM 0 H SER A 6 -4.610 27.995 -9.175 1.00 0.00 H new ATOM 0 HA SER A 6 -6.168 26.643 -7.049 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.283 26.131 -10.052 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.211 25.295 -8.823 1.00 0.00 H new ATOM 0 HG SER A 6 -8.422 26.995 -9.833 1.00 0.00 H new ATOM 59 N GLY A 7 -4.582 24.749 -6.962 1.00 0.00 N ATOM 60 CA GLY A 7 -3.578 23.707 -6.844 1.00 0.00 C ATOM 61 C GLY A 7 -4.039 22.554 -5.975 1.00 0.00 C ATOM 62 O GLY A 7 -4.412 22.749 -4.818 1.00 0.00 O ATOM 0 H GLY A 7 -5.244 24.796 -6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.329 23.333 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.666 24.132 -6.425 1.00 0.00 H new ATOM 66 N PHE A 8 -4.016 21.348 -6.534 1.00 0.00 N ATOM 67 CA PHE A 8 -4.437 20.158 -5.803 1.00 0.00 C ATOM 68 C PHE A 8 -3.277 19.182 -5.638 1.00 0.00 C ATOM 69 O PHE A 8 -2.338 19.175 -6.435 1.00 0.00 O ATOM 70 CB PHE A 8 -5.597 19.473 -6.528 1.00 0.00 C ATOM 71 CG PHE A 8 -6.641 20.430 -7.027 1.00 0.00 C ATOM 72 CD1 PHE A 8 -6.445 21.139 -8.201 1.00 0.00 C ATOM 73 CD2 PHE A 8 -7.820 20.619 -6.324 1.00 0.00 C ATOM 74 CE1 PHE A 8 -7.404 22.021 -8.663 1.00 0.00 C ATOM 75 CE2 PHE A 8 -8.783 21.499 -6.780 1.00 0.00 C ATOM 76 CZ PHE A 8 -8.575 22.200 -7.952 1.00 0.00 C ATOM 0 H PHE A 8 -3.710 21.169 -7.491 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.770 20.469 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.203 18.905 -7.371 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.065 18.757 -5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.532 21.001 -8.762 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.988 20.072 -5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.238 22.569 -9.578 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.697 21.638 -6.221 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.327 22.887 -8.312 1.00 0.00 H new ATOM 86 N LYS A 9 -3.347 18.358 -4.598 1.00 0.00 N ATOM 87 CA LYS A 9 -2.305 17.375 -4.328 1.00 0.00 C ATOM 88 C LYS A 9 -2.756 15.977 -4.736 1.00 0.00 C ATOM 89 O LYS A 9 -3.928 15.755 -5.037 1.00 0.00 O ATOM 90 CB LYS A 9 -1.935 17.390 -2.843 1.00 0.00 C ATOM 91 CG LYS A 9 -1.020 18.539 -2.455 1.00 0.00 C ATOM 92 CD LYS A 9 0.420 18.263 -2.855 1.00 0.00 C ATOM 93 CE LYS A 9 1.292 19.498 -2.684 1.00 0.00 C ATOM 94 NZ LYS A 9 2.559 19.395 -3.459 1.00 0.00 N ATOM 0 H LYS A 9 -4.116 18.352 -3.928 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.428 17.641 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.848 17.448 -2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.449 16.448 -2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.363 19.456 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.075 18.702 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.817 17.449 -2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.454 17.933 -3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.739 20.380 -3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.523 19.636 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.125 20.256 -3.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.099 18.568 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.340 19.289 -4.470 1.00 0.00 H new ATOM 108 N VAL A 10 -1.817 15.035 -4.743 1.00 0.00 N ATOM 109 CA VAL A 10 -2.118 13.657 -5.112 1.00 0.00 C ATOM 110 C VAL A 10 -1.643 12.685 -4.038 1.00 0.00 C ATOM 111 O VAL A 10 -0.465 12.640 -3.683 1.00 0.00 O ATOM 112 CB VAL A 10 -1.466 13.281 -6.455 1.00 0.00 C ATOM 113 CG1 VAL A 10 0.039 13.130 -6.295 1.00 0.00 C ATOM 114 CG2 VAL A 10 -2.083 12.004 -7.007 1.00 0.00 C ATOM 0 H VAL A 10 -0.841 15.202 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.201 13.584 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.652 14.085 -7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.482 12.864 -7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.464 14.072 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.251 12.346 -5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.611 11.753 -7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.929 11.190 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.152 12.154 -7.162 1.00 0.00 H new ATOM 124 N PRO A 11 -2.580 11.885 -3.508 1.00 0.00 N ATOM 125 CA PRO A 11 -2.281 10.896 -2.468 1.00 0.00 C ATOM 126 C PRO A 11 -1.447 9.734 -2.995 1.00 0.00 C ATOM 127 O PRO A 11 -1.396 9.470 -4.197 1.00 0.00 O ATOM 128 CB PRO A 11 -3.665 10.408 -2.034 1.00 0.00 C ATOM 129 CG PRO A 11 -4.539 10.647 -3.216 1.00 0.00 C ATOM 130 CD PRO A 11 -4.004 11.883 -3.884 1.00 0.00 C ATOM 0 HA PRO A 11 -1.691 11.323 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.646 9.352 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.022 10.955 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.517 9.795 -3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.577 10.786 -2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.134 11.843 -4.966 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.513 12.781 -3.534 1.00 0.00 H new ATOM 138 N PRO A 12 -0.778 9.020 -2.078 1.00 0.00 N ATOM 139 CA PRO A 12 0.065 7.873 -2.428 1.00 0.00 C ATOM 140 C PRO A 12 -0.752 6.677 -2.904 1.00 0.00 C ATOM 141 O PRO A 12 -0.198 5.669 -3.344 1.00 0.00 O ATOM 142 CB PRO A 12 0.779 7.544 -1.114 1.00 0.00 C ATOM 143 CG PRO A 12 -0.128 8.059 -0.051 1.00 0.00 C ATOM 144 CD PRO A 12 -0.793 9.278 -0.628 1.00 0.00 C ATOM 0 HA PRO A 12 0.742 8.101 -3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.942 6.471 -1.010 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.758 8.021 -1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.866 7.308 0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.431 8.309 0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.809 9.398 -0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.250 10.189 -0.376 1.00 0.00 H new ATOM 152 N PHE A 13 -2.073 6.795 -2.815 1.00 0.00 N ATOM 153 CA PHE A 13 -2.967 5.723 -3.237 1.00 0.00 C ATOM 154 C PHE A 13 -3.946 6.217 -4.297 1.00 0.00 C ATOM 155 O PHE A 13 -4.966 5.579 -4.560 1.00 0.00 O ATOM 156 CB PHE A 13 -3.735 5.169 -2.035 1.00 0.00 C ATOM 157 CG PHE A 13 -2.845 4.666 -0.935 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.641 4.047 -1.228 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.214 4.811 0.393 1.00 0.00 C ATOM 160 CE1 PHE A 13 -0.819 3.583 -0.218 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.396 4.350 1.408 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.198 3.734 1.102 1.00 0.00 C ATOM 0 H PHE A 13 -2.548 7.622 -2.454 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.361 4.927 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.384 5.949 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.380 4.357 -2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.341 3.925 -2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.151 5.289 0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.118 3.103 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.693 4.471 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.559 3.371 1.893 1.00 0.00 H new ATOM 172 N GLN A 14 -3.629 7.357 -4.902 1.00 0.00 N ATOM 173 CA GLN A 14 -4.481 7.938 -5.933 1.00 0.00 C ATOM 174 C GLN A 14 -4.904 6.881 -6.948 1.00 0.00 C ATOM 175 O GLN A 14 -4.063 6.239 -7.577 1.00 0.00 O ATOM 176 CB GLN A 14 -3.754 9.081 -6.642 1.00 0.00 C ATOM 177 CG GLN A 14 -4.526 9.657 -7.818 1.00 0.00 C ATOM 178 CD GLN A 14 -4.229 8.938 -9.119 1.00 0.00 C ATOM 179 OE1 GLN A 14 -5.142 8.534 -9.840 1.00 0.00 O ATOM 180 NE2 GLN A 14 -2.948 8.775 -9.427 1.00 0.00 N ATOM 0 H GLN A 14 -2.788 7.897 -4.696 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.376 8.331 -5.450 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.557 9.876 -5.923 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.787 8.722 -6.994 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.594 9.598 -7.610 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.280 10.713 -7.927 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.224 9.126 -8.800 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.688 8.299 -10.291 1.00 0.00 H new ATOM 189 N ASP A 15 -6.212 6.706 -7.102 1.00 0.00 N ATOM 190 CA ASP A 15 -6.747 5.728 -8.042 1.00 0.00 C ATOM 191 C ASP A 15 -6.021 4.393 -7.909 1.00 0.00 C ATOM 192 O ASP A 15 -5.742 3.724 -8.905 1.00 0.00 O ATOM 193 CB ASP A 15 -6.626 6.247 -9.476 1.00 0.00 C ATOM 194 CG ASP A 15 -7.448 5.435 -10.457 1.00 0.00 C ATOM 195 OD1 ASP A 15 -6.935 4.412 -10.956 1.00 0.00 O ATOM 196 OD2 ASP A 15 -8.604 5.823 -10.726 1.00 0.00 O ATOM 0 H ASP A 15 -6.921 7.229 -6.588 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.800 5.574 -7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.948 7.288 -9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.579 6.227 -9.779 1.00 0.00 H new ATOM 201 N CYS A 16 -5.716 4.012 -6.673 1.00 0.00 N ATOM 202 CA CYS A 16 -5.021 2.757 -6.409 1.00 0.00 C ATOM 203 C CYS A 16 -5.711 1.977 -5.295 1.00 0.00 C ATOM 204 O CYS A 16 -5.780 2.435 -4.154 1.00 0.00 O ATOM 205 CB CYS A 16 -3.563 3.028 -6.032 1.00 0.00 C ATOM 206 SG CYS A 16 -2.601 3.835 -7.333 1.00 0.00 S ATOM 0 H CYS A 16 -5.939 4.554 -5.838 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.048 2.156 -7.318 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.540 3.652 -5.138 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.084 2.083 -5.774 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.087 5.019 -7.561 1.00 0.00 H new ATOM 212 N ILE A 17 -6.221 0.798 -5.634 1.00 0.00 N ATOM 213 CA ILE A 17 -6.907 -0.045 -4.663 1.00 0.00 C ATOM 214 C ILE A 17 -5.921 -0.937 -3.917 1.00 0.00 C ATOM 215 O ILE A 17 -4.863 -1.287 -4.442 1.00 0.00 O ATOM 216 CB ILE A 17 -7.973 -0.929 -5.337 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.864 -0.084 -6.250 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.808 -1.645 -4.287 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.409 -0.847 -7.437 1.00 0.00 C ATOM 0 H ILE A 17 -6.172 0.405 -6.574 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.397 0.624 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.470 -1.680 -5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.697 0.310 -5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.294 0.772 -6.610 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.557 -2.266 -4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.161 -2.273 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.305 -0.910 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.031 -0.186 -8.040 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.582 -1.218 -8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.007 -1.688 -7.086 1.00 0.00 H new ATOM 231 N LEU A 18 -6.274 -1.304 -2.690 1.00 0.00 N ATOM 232 CA LEU A 18 -5.421 -2.158 -1.871 1.00 0.00 C ATOM 233 C LEU A 18 -6.211 -3.335 -1.306 1.00 0.00 C ATOM 234 O LEU A 18 -7.442 -3.335 -1.323 1.00 0.00 O ATOM 235 CB LEU A 18 -4.802 -1.350 -0.730 1.00 0.00 C ATOM 236 CG LEU A 18 -3.767 -0.300 -1.136 1.00 0.00 C ATOM 237 CD1 LEU A 18 -2.622 -0.946 -1.900 1.00 0.00 C ATOM 238 CD2 LEU A 18 -4.417 0.795 -1.970 1.00 0.00 C ATOM 0 H LEU A 18 -7.145 -1.023 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.625 -2.549 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.605 -0.850 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.332 -2.044 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.362 0.152 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.896 -0.183 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.139 -1.692 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.009 -1.426 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.666 1.533 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.850 0.358 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.202 1.278 -1.388 1.00 0.00 H new ATOM 250 N SER A 19 -5.494 -4.335 -0.804 1.00 0.00 N ATOM 251 CA SER A 19 -6.127 -5.519 -0.234 1.00 0.00 C ATOM 252 C SER A 19 -5.238 -6.152 0.831 1.00 0.00 C ATOM 253 O SER A 19 -4.027 -6.282 0.648 1.00 0.00 O ATOM 254 CB SER A 19 -6.431 -6.539 -1.333 1.00 0.00 C ATOM 255 OG SER A 19 -6.674 -5.896 -2.573 1.00 0.00 O ATOM 0 H SER A 19 -4.474 -4.349 -0.780 1.00 0.00 H new ATOM 0 HA SER A 19 -7.061 -5.211 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.593 -7.228 -1.435 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.300 -7.133 -1.052 1.00 0.00 H new ATOM 0 HG SER A 19 -7.490 -6.260 -2.976 1.00 0.00 H new ATOM 261 N PHE A 20 -5.847 -6.544 1.945 1.00 0.00 N ATOM 262 CA PHE A 20 -5.111 -7.162 3.042 1.00 0.00 C ATOM 263 C PHE A 20 -5.635 -8.567 3.324 1.00 0.00 C ATOM 264 O PHE A 20 -6.832 -8.765 3.538 1.00 0.00 O ATOM 265 CB PHE A 20 -5.217 -6.303 4.304 1.00 0.00 C ATOM 266 CG PHE A 20 -5.143 -4.828 4.033 1.00 0.00 C ATOM 267 CD1 PHE A 20 -3.989 -4.263 3.514 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.227 -4.006 4.297 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.917 -2.905 3.264 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.161 -2.648 4.048 1.00 0.00 C ATOM 271 CZ PHE A 20 -5.004 -2.097 3.532 1.00 0.00 C ATOM 0 H PHE A 20 -6.848 -6.445 2.112 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.064 -7.235 2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.158 -6.525 4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.416 -6.579 4.990 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.136 -4.891 3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.133 -4.431 4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.012 -2.477 2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.013 -2.018 4.257 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.950 -1.036 3.339 1.00 0.00 H new ATOM 281 N LEU A 21 -4.731 -9.541 3.321 1.00 0.00 N ATOM 282 CA LEU A 21 -5.100 -10.929 3.576 1.00 0.00 C ATOM 283 C LEU A 21 -4.253 -11.520 4.698 1.00 0.00 C ATOM 284 O LEU A 21 -3.028 -11.582 4.599 1.00 0.00 O ATOM 285 CB LEU A 21 -4.936 -11.762 2.304 1.00 0.00 C ATOM 286 CG LEU A 21 -4.642 -13.249 2.509 1.00 0.00 C ATOM 287 CD1 LEU A 21 -5.895 -13.983 2.962 1.00 0.00 C ATOM 288 CD2 LEU A 21 -4.094 -13.865 1.230 1.00 0.00 C ATOM 0 H LEU A 21 -3.737 -9.395 3.145 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.145 -10.951 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.848 -11.670 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.128 -11.331 1.713 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.887 -13.347 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.667 -15.040 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.245 -13.559 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.672 -13.877 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.890 -14.923 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.827 -13.756 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.171 -13.358 0.948 1.00 0.00 H new ATOM 300 N GLY A 22 -4.914 -11.957 5.765 1.00 0.00 N ATOM 301 CA GLY A 22 -4.206 -12.541 6.890 1.00 0.00 C ATOM 302 C GLY A 22 -4.521 -11.843 8.198 1.00 0.00 C ATOM 303 O GLY A 22 -4.927 -12.483 9.169 1.00 0.00 O ATOM 0 H GLY A 22 -5.928 -11.917 5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.468 -13.596 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.133 -12.492 6.705 1.00 0.00 H new ATOM 307 N PHE A 23 -4.332 -10.528 8.226 1.00 0.00 N ATOM 308 CA PHE A 23 -4.597 -9.743 9.427 1.00 0.00 C ATOM 309 C PHE A 23 -5.979 -10.060 9.990 1.00 0.00 C ATOM 310 O PHE A 23 -6.803 -10.687 9.325 1.00 0.00 O ATOM 311 CB PHE A 23 -4.489 -8.248 9.118 1.00 0.00 C ATOM 312 CG PHE A 23 -3.234 -7.877 8.381 1.00 0.00 C ATOM 313 CD1 PHE A 23 -2.064 -7.607 9.071 1.00 0.00 C ATOM 314 CD2 PHE A 23 -3.226 -7.799 6.997 1.00 0.00 C ATOM 315 CE1 PHE A 23 -0.908 -7.265 8.394 1.00 0.00 C ATOM 316 CE2 PHE A 23 -2.073 -7.457 6.316 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.912 -7.191 7.015 1.00 0.00 C ATOM 0 H PHE A 23 -3.997 -9.983 7.431 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.850 -10.007 10.176 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.352 -7.944 8.525 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.531 -7.688 10.052 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.054 -7.664 10.149 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.130 -8.008 6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.002 -7.056 8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.080 -7.398 5.238 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.009 -6.926 6.484 1.00 0.00 H new ATOM 327 N SER A 24 -6.225 -9.621 11.221 1.00 0.00 N ATOM 328 CA SER A 24 -7.505 -9.861 11.876 1.00 0.00 C ATOM 329 C SER A 24 -8.544 -8.836 11.431 1.00 0.00 C ATOM 330 O SER A 24 -8.218 -7.859 10.756 1.00 0.00 O ATOM 331 CB SER A 24 -7.341 -9.810 13.396 1.00 0.00 C ATOM 332 OG SER A 24 -8.316 -10.610 14.042 1.00 0.00 O ATOM 0 H SER A 24 -5.555 -9.098 11.784 1.00 0.00 H new ATOM 0 HA SER A 24 -7.852 -10.853 11.588 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.344 -10.155 13.669 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.426 -8.779 13.740 1.00 0.00 H new ATOM 0 HG SER A 24 -8.188 -10.562 15.012 1.00 0.00 H new ATOM 338 N ASP A 25 -9.795 -9.066 11.814 1.00 0.00 N ATOM 339 CA ASP A 25 -10.882 -8.164 11.455 1.00 0.00 C ATOM 340 C ASP A 25 -10.631 -6.764 12.008 1.00 0.00 C ATOM 341 O ASP A 25 -10.900 -5.766 11.340 1.00 0.00 O ATOM 342 CB ASP A 25 -12.214 -8.702 11.981 1.00 0.00 C ATOM 343 CG ASP A 25 -12.402 -10.176 11.681 1.00 0.00 C ATOM 344 OD1 ASP A 25 -11.982 -11.009 12.512 1.00 0.00 O ATOM 345 OD2 ASP A 25 -12.970 -10.496 10.616 1.00 0.00 O ATOM 0 H ASP A 25 -10.081 -9.870 12.373 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.927 -8.103 10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.266 -8.544 13.058 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.032 -8.136 11.536 1.00 0.00 H new ATOM 350 N GLU A 26 -10.116 -6.700 13.232 1.00 0.00 N ATOM 351 CA GLU A 26 -9.831 -5.422 13.874 1.00 0.00 C ATOM 352 C GLU A 26 -8.653 -4.725 13.199 1.00 0.00 C ATOM 353 O GLU A 26 -8.716 -3.535 12.892 1.00 0.00 O ATOM 354 CB GLU A 26 -9.532 -5.629 15.360 1.00 0.00 C ATOM 355 CG GLU A 26 -8.379 -6.582 15.623 1.00 0.00 C ATOM 356 CD GLU A 26 -8.171 -6.855 17.100 1.00 0.00 C ATOM 357 OE1 GLU A 26 -8.860 -7.745 17.642 1.00 0.00 O ATOM 358 OE2 GLU A 26 -7.320 -6.178 17.714 1.00 0.00 O ATOM 0 H GLU A 26 -9.888 -7.517 13.798 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.712 -4.788 13.773 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.305 -4.664 15.814 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.427 -6.010 15.852 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.566 -7.523 15.106 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.464 -6.164 15.203 1.00 0.00 H new ATOM 365 N GLU A 27 -7.579 -5.476 12.974 1.00 0.00 N ATOM 366 CA GLU A 27 -6.386 -4.929 12.337 1.00 0.00 C ATOM 367 C GLU A 27 -6.685 -4.490 10.906 1.00 0.00 C ATOM 368 O GLU A 27 -6.210 -3.450 10.451 1.00 0.00 O ATOM 369 CB GLU A 27 -5.260 -5.965 12.340 1.00 0.00 C ATOM 370 CG GLU A 27 -4.458 -5.988 13.630 1.00 0.00 C ATOM 371 CD GLU A 27 -3.918 -4.622 14.006 1.00 0.00 C ATOM 372 OE1 GLU A 27 -3.651 -3.816 13.091 1.00 0.00 O ATOM 373 OE2 GLU A 27 -3.763 -4.360 15.217 1.00 0.00 O ATOM 0 H GLU A 27 -7.510 -6.463 13.223 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.069 -4.056 12.907 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.687 -6.953 12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.587 -5.760 11.507 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.087 -6.361 14.438 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.628 -6.686 13.525 1.00 0.00 H new ATOM 380 N LYS A 28 -7.477 -5.292 10.202 1.00 0.00 N ATOM 381 CA LYS A 28 -7.842 -4.988 8.823 1.00 0.00 C ATOM 382 C LYS A 28 -8.701 -3.730 8.752 1.00 0.00 C ATOM 383 O LYS A 28 -8.506 -2.919 7.848 1.00 0.00 O ATOM 384 CB LYS A 28 -8.593 -6.167 8.201 1.00 0.00 C ATOM 385 CG LYS A 28 -8.568 -6.172 6.682 1.00 0.00 C ATOM 386 CD LYS A 28 -8.731 -7.577 6.127 1.00 0.00 C ATOM 387 CE LYS A 28 -10.196 -7.923 5.906 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.360 -9.243 5.237 1.00 0.00 N ATOM 0 H LYS A 28 -7.878 -6.157 10.564 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.925 -4.812 8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.158 -7.097 8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.629 -6.146 8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.366 -5.535 6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.627 -5.748 6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.190 -7.662 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.286 -8.295 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.715 -7.935 6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.665 -7.148 5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.372 -9.442 5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.887 -9.224 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.936 -9.987 5.827 1.00 0.00 H new ATOM 402 N HIS A 29 -9.620 -3.595 9.696 1.00 0.00 N ATOM 403 CA HIS A 29 -10.495 -2.435 9.728 1.00 0.00 C ATOM 404 C HIS A 29 -9.654 -1.157 9.696 1.00 0.00 C ATOM 405 O HIS A 29 -9.788 -0.310 8.812 1.00 0.00 O ATOM 406 CB HIS A 29 -11.434 -2.496 10.935 1.00 0.00 C ATOM 407 CG HIS A 29 -12.439 -1.370 10.989 1.00 0.00 C ATOM 408 ND1 HIS A 29 -13.679 -1.442 10.378 1.00 0.00 N ATOM 409 CD2 HIS A 29 -12.374 -0.146 11.587 1.00 0.00 C ATOM 410 CE1 HIS A 29 -14.323 -0.306 10.604 1.00 0.00 C ATOM 411 NE2 HIS A 29 -13.513 0.496 11.353 1.00 0.00 N ATOM 0 H HIS A 29 -9.778 -4.269 10.445 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.133 -2.432 8.844 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.968 -3.446 10.919 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.838 -2.481 11.847 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.538 0.236 12.154 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.315 -0.059 10.256 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.744 1.434 11.680 1.00 0.00 H new ATOM 419 N SER A 30 -8.777 -1.036 10.687 1.00 0.00 N ATOM 420 CA SER A 30 -7.904 0.127 10.798 1.00 0.00 C ATOM 421 C SER A 30 -7.274 0.464 9.450 1.00 0.00 C ATOM 422 O SER A 30 -7.296 1.614 9.013 1.00 0.00 O ATOM 423 CB SER A 30 -6.810 -0.128 11.836 1.00 0.00 C ATOM 424 OG SER A 30 -7.340 -0.113 13.150 1.00 0.00 O ATOM 0 H SER A 30 -8.652 -1.729 11.425 1.00 0.00 H new ATOM 0 HA SER A 30 -8.509 0.975 11.119 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.338 -1.091 11.642 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.034 0.632 11.745 1.00 0.00 H new ATOM 0 HG SER A 30 -6.621 -0.280 13.795 1.00 0.00 H new ATOM 430 N MET A 31 -6.713 -0.549 8.797 1.00 0.00 N ATOM 431 CA MET A 31 -6.077 -0.361 7.498 1.00 0.00 C ATOM 432 C MET A 31 -7.064 0.217 6.488 1.00 0.00 C ATOM 433 O MET A 31 -6.850 1.303 5.950 1.00 0.00 O ATOM 434 CB MET A 31 -5.520 -1.689 6.982 1.00 0.00 C ATOM 435 CG MET A 31 -4.593 -2.383 7.966 1.00 0.00 C ATOM 436 SD MET A 31 -4.300 -4.111 7.545 1.00 0.00 S ATOM 437 CE MET A 31 -2.651 -4.016 6.853 1.00 0.00 C ATOM 0 H MET A 31 -6.686 -1.507 9.146 1.00 0.00 H new ATOM 0 HA MET A 31 -5.256 0.345 7.622 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.350 -2.355 6.746 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.981 -1.510 6.052 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.640 -1.854 7.996 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.022 -2.325 8.966 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.577 -4.684 5.995 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.448 -2.993 6.535 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.922 -4.313 7.607 1.00 0.00 H new ATOM 447 N GLU A 32 -8.144 -0.517 6.236 1.00 0.00 N ATOM 448 CA GLU A 32 -9.162 -0.076 5.290 1.00 0.00 C ATOM 449 C GLU A 32 -9.448 1.414 5.453 1.00 0.00 C ATOM 450 O GLU A 32 -9.244 2.200 4.529 1.00 0.00 O ATOM 451 CB GLU A 32 -10.450 -0.878 5.483 1.00 0.00 C ATOM 452 CG GLU A 32 -10.479 -2.180 4.700 1.00 0.00 C ATOM 453 CD GLU A 32 -11.770 -2.952 4.898 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.288 -2.958 6.035 1.00 0.00 O ATOM 455 OE2 GLU A 32 -12.262 -3.549 3.918 1.00 0.00 O ATOM 0 H GLU A 32 -8.336 -1.418 6.673 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.783 -0.247 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.575 -1.098 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.299 -0.264 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.348 -1.965 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.638 -2.802 5.005 1.00 0.00 H new ATOM 462 N GLU A 33 -9.923 1.793 6.636 1.00 0.00 N ATOM 463 CA GLU A 33 -10.239 3.188 6.919 1.00 0.00 C ATOM 464 C GLU A 33 -9.086 4.101 6.511 1.00 0.00 C ATOM 465 O GLU A 33 -9.296 5.146 5.896 1.00 0.00 O ATOM 466 CB GLU A 33 -10.547 3.372 8.407 1.00 0.00 C ATOM 467 CG GLU A 33 -11.889 2.795 8.826 1.00 0.00 C ATOM 468 CD GLU A 33 -13.059 3.633 8.349 1.00 0.00 C ATOM 469 OE1 GLU A 33 -13.441 3.503 7.168 1.00 0.00 O ATOM 470 OE2 GLU A 33 -13.593 4.420 9.160 1.00 0.00 O ATOM 0 H GLU A 33 -10.097 1.154 7.412 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.119 3.460 6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.759 2.900 8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.528 4.436 8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.985 1.784 8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.923 2.716 9.913 1.00 0.00 H new ATOM 477 N MET A 34 -7.868 3.698 6.859 1.00 0.00 N ATOM 478 CA MET A 34 -6.682 4.479 6.529 1.00 0.00 C ATOM 479 C MET A 34 -6.574 4.693 5.023 1.00 0.00 C ATOM 480 O MET A 34 -6.463 5.826 4.552 1.00 0.00 O ATOM 481 CB MET A 34 -5.424 3.779 7.047 1.00 0.00 C ATOM 482 CG MET A 34 -4.179 4.650 6.995 1.00 0.00 C ATOM 483 SD MET A 34 -4.027 5.731 8.430 1.00 0.00 S ATOM 484 CE MET A 34 -3.269 4.620 9.613 1.00 0.00 C ATOM 0 H MET A 34 -7.677 2.836 7.369 1.00 0.00 H new ATOM 0 HA MET A 34 -6.773 5.452 7.011 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.592 3.461 8.076 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.252 2.877 6.459 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.297 4.013 6.930 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.202 5.256 6.089 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.111 5.145 10.555 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.923 3.764 9.780 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.311 4.274 9.225 1.00 0.00 H new ATOM 494 N THR A 35 -6.607 3.598 4.269 1.00 0.00 N ATOM 495 CA THR A 35 -6.512 3.667 2.817 1.00 0.00 C ATOM 496 C THR A 35 -7.371 4.797 2.262 1.00 0.00 C ATOM 497 O THR A 35 -7.047 5.386 1.231 1.00 0.00 O ATOM 498 CB THR A 35 -6.943 2.341 2.162 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.188 1.255 2.711 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.745 2.392 0.655 1.00 0.00 C ATOM 0 H THR A 35 -6.699 2.653 4.641 1.00 0.00 H new ATOM 0 HA THR A 35 -5.466 3.859 2.578 1.00 0.00 H new ATOM 0 HB THR A 35 -8.002 2.187 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.567 0.405 2.404 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.056 1.445 0.215 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.344 3.201 0.236 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.693 2.567 0.432 1.00 0.00 H new ATOM 508 N GLU A 36 -8.467 5.095 2.953 1.00 0.00 N ATOM 509 CA GLU A 36 -9.372 6.157 2.528 1.00 0.00 C ATOM 510 C GLU A 36 -8.794 7.530 2.857 1.00 0.00 C ATOM 511 O GLU A 36 -8.480 8.314 1.962 1.00 0.00 O ATOM 512 CB GLU A 36 -10.737 5.992 3.198 1.00 0.00 C ATOM 513 CG GLU A 36 -11.707 5.135 2.401 1.00 0.00 C ATOM 514 CD GLU A 36 -13.156 5.426 2.740 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.636 4.919 3.776 1.00 0.00 O ATOM 516 OE2 GLU A 36 -13.811 6.159 1.970 1.00 0.00 O ATOM 0 H GLU A 36 -8.750 4.617 3.808 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.494 6.084 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.597 5.547 4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.178 6.977 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.546 5.304 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.497 4.082 2.592 1.00 0.00 H new ATOM 523 N MET A 37 -8.656 7.813 4.149 1.00 0.00 N ATOM 524 CA MET A 37 -8.115 9.091 4.597 1.00 0.00 C ATOM 525 C MET A 37 -6.884 9.475 3.784 1.00 0.00 C ATOM 526 O MET A 37 -6.662 10.651 3.497 1.00 0.00 O ATOM 527 CB MET A 37 -7.759 9.025 6.083 1.00 0.00 C ATOM 528 CG MET A 37 -6.435 8.331 6.361 1.00 0.00 C ATOM 529 SD MET A 37 -5.832 8.629 8.034 1.00 0.00 S ATOM 530 CE MET A 37 -7.207 8.014 9.003 1.00 0.00 C ATOM 0 H MET A 37 -8.911 7.175 4.903 1.00 0.00 H new ATOM 0 HA MET A 37 -8.879 9.853 4.447 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.720 10.038 6.484 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.553 8.501 6.615 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.552 7.258 6.207 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.691 8.677 5.644 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.913 7.947 10.050 1.00 0.00 H new ATOM 0 HE2 MET A 37 -8.053 8.694 8.907 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.493 7.026 8.643 1.00 0.00 H new ATOM 540 N GLN A 38 -6.087 8.477 3.416 1.00 0.00 N ATOM 541 CA GLN A 38 -4.878 8.712 2.636 1.00 0.00 C ATOM 542 C GLN A 38 -5.222 9.111 1.205 1.00 0.00 C ATOM 543 O GLN A 38 -4.761 10.138 0.708 1.00 0.00 O ATOM 544 CB GLN A 38 -3.997 7.462 2.632 1.00 0.00 C ATOM 545 CG GLN A 38 -3.457 7.094 4.004 1.00 0.00 C ATOM 546 CD GLN A 38 -2.798 8.265 4.706 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.245 9.158 4.062 1.00 0.00 O ATOM 548 NE2 GLN A 38 -2.853 8.269 6.033 1.00 0.00 N ATOM 0 H GLN A 38 -6.257 7.498 3.646 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.330 9.532 3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.573 6.623 2.240 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.160 7.620 1.952 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.272 6.717 4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.735 6.284 3.901 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.321 7.509 6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.427 9.032 6.559 1.00 0.00 H new ATOM 557 N GLY A 39 -6.036 8.291 0.546 1.00 0.00 N ATOM 558 CA GLY A 39 -6.427 8.575 -0.822 1.00 0.00 C ATOM 559 C GLY A 39 -6.438 7.334 -1.692 1.00 0.00 C ATOM 560 O GLY A 39 -5.849 7.319 -2.772 1.00 0.00 O ATOM 0 H GLY A 39 -6.431 7.435 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.419 9.027 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.741 9.307 -1.248 1.00 0.00 H new ATOM 564 N GLY A 40 -7.109 6.288 -1.219 1.00 0.00 N ATOM 565 CA GLY A 40 -7.179 5.050 -1.973 1.00 0.00 C ATOM 566 C GLY A 40 -8.371 4.199 -1.581 1.00 0.00 C ATOM 567 O GLY A 40 -8.995 4.432 -0.545 1.00 0.00 O ATOM 0 H GLY A 40 -7.605 6.276 -0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.234 5.279 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.263 4.481 -1.817 1.00 0.00 H new ATOM 571 N SER A 41 -8.690 3.211 -2.411 1.00 0.00 N ATOM 572 CA SER A 41 -9.819 2.326 -2.148 1.00 0.00 C ATOM 573 C SER A 41 -9.337 0.955 -1.685 1.00 0.00 C ATOM 574 O SER A 41 -8.159 0.621 -1.816 1.00 0.00 O ATOM 575 CB SER A 41 -10.682 2.180 -3.403 1.00 0.00 C ATOM 576 OG SER A 41 -11.202 3.433 -3.813 1.00 0.00 O ATOM 0 H SER A 41 -8.183 3.003 -3.271 1.00 0.00 H new ATOM 0 HA SER A 41 -10.419 2.768 -1.353 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.088 1.748 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.502 1.489 -3.206 1.00 0.00 H new ATOM 0 HG SER A 41 -11.748 3.313 -4.618 1.00 0.00 H new ATOM 582 N TYR A 42 -10.257 0.164 -1.143 1.00 0.00 N ATOM 583 CA TYR A 42 -9.928 -1.171 -0.658 1.00 0.00 C ATOM 584 C TYR A 42 -10.972 -2.188 -1.109 1.00 0.00 C ATOM 585 O TYR A 42 -12.174 -1.930 -1.046 1.00 0.00 O ATOM 586 CB TYR A 42 -9.826 -1.171 0.868 1.00 0.00 C ATOM 587 CG TYR A 42 -11.044 -0.598 1.556 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.217 -1.335 1.662 1.00 0.00 C ATOM 589 CD2 TYR A 42 -11.022 0.680 2.102 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.333 -0.815 2.289 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.132 1.207 2.732 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.286 0.456 2.822 1.00 0.00 C ATOM 593 OH TYR A 42 -14.395 0.976 3.449 1.00 0.00 O ATOM 0 H TYR A 42 -11.236 0.425 -1.029 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.964 -1.456 -1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.671 -2.193 1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.948 -0.598 1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.257 -2.331 1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.121 1.271 2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.237 -1.401 2.361 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.097 2.201 3.152 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.196 1.880 3.769 1.00 0.00 H new ATOM 603 N LEU A 43 -10.503 -3.344 -1.564 1.00 0.00 N ATOM 604 CA LEU A 43 -11.395 -4.403 -2.026 1.00 0.00 C ATOM 605 C LEU A 43 -10.989 -5.751 -1.441 1.00 0.00 C ATOM 606 O LEU A 43 -9.860 -5.945 -0.989 1.00 0.00 O ATOM 607 CB LEU A 43 -11.385 -4.474 -3.554 1.00 0.00 C ATOM 608 CG LEU A 43 -12.379 -3.562 -4.275 1.00 0.00 C ATOM 609 CD1 LEU A 43 -12.017 -3.435 -5.746 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.798 -4.090 -4.117 1.00 0.00 C ATOM 0 H LEU A 43 -9.511 -3.573 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.404 -4.169 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.381 -4.231 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.585 -5.503 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.328 -2.572 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.735 -2.783 -6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.017 -3.011 -5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.039 -4.420 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.492 -3.429 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.863 -5.091 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.056 -4.128 -3.059 1.00 0.00 H new ATOM 622 N PRO A 44 -11.929 -6.707 -1.449 1.00 0.00 N ATOM 623 CA PRO A 44 -11.692 -8.056 -0.924 1.00 0.00 C ATOM 624 C PRO A 44 -10.731 -8.856 -1.797 1.00 0.00 C ATOM 625 O PRO A 44 -10.952 -9.015 -2.997 1.00 0.00 O ATOM 626 CB PRO A 44 -13.084 -8.692 -0.939 1.00 0.00 C ATOM 627 CG PRO A 44 -13.827 -7.953 -1.997 1.00 0.00 C ATOM 628 CD PRO A 44 -13.296 -6.546 -1.971 1.00 0.00 C ATOM 0 HA PRO A 44 -11.229 -8.035 0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.030 -9.757 -1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.574 -8.595 0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.672 -8.410 -2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.900 -7.969 -1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.297 -6.098 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.898 -5.901 -1.330 1.00 0.00 H new ATOM 636 N VAL A 45 -9.663 -9.359 -1.186 1.00 0.00 N ATOM 637 CA VAL A 45 -8.669 -10.145 -1.907 1.00 0.00 C ATOM 638 C VAL A 45 -9.334 -11.137 -2.854 1.00 0.00 C ATOM 639 O VAL A 45 -10.232 -11.881 -2.461 1.00 0.00 O ATOM 640 CB VAL A 45 -7.751 -10.914 -0.938 1.00 0.00 C ATOM 641 CG1 VAL A 45 -6.784 -11.800 -1.709 1.00 0.00 C ATOM 642 CG2 VAL A 45 -6.998 -9.947 -0.038 1.00 0.00 C ATOM 0 H VAL A 45 -9.464 -9.236 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.068 -9.442 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.370 -11.554 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.143 -12.335 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.346 -12.517 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.169 -11.183 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.354 -10.507 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.389 -9.281 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.710 -9.359 0.541 1.00 0.00 H new ATOM 652 N GLY A 46 -8.887 -11.142 -4.107 1.00 0.00 N ATOM 653 CA GLY A 46 -9.450 -12.048 -5.091 1.00 0.00 C ATOM 654 C GLY A 46 -9.950 -11.323 -6.326 1.00 0.00 C ATOM 655 O GLY A 46 -9.712 -11.763 -7.451 1.00 0.00 O ATOM 0 H GLY A 46 -8.146 -10.535 -4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.695 -12.778 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.273 -12.603 -4.641 1.00 0.00 H new ATOM 659 N ASP A 47 -10.645 -10.211 -6.116 1.00 0.00 N ATOM 660 CA ASP A 47 -11.180 -9.424 -7.221 1.00 0.00 C ATOM 661 C ASP A 47 -10.055 -8.874 -8.092 1.00 0.00 C ATOM 662 O ASP A 47 -9.001 -8.487 -7.588 1.00 0.00 O ATOM 663 CB ASP A 47 -12.038 -8.275 -6.689 1.00 0.00 C ATOM 664 CG ASP A 47 -12.986 -7.727 -7.737 1.00 0.00 C ATOM 665 OD1 ASP A 47 -12.504 -7.299 -8.808 1.00 0.00 O ATOM 666 OD2 ASP A 47 -14.209 -7.726 -7.488 1.00 0.00 O ATOM 0 H ASP A 47 -10.851 -9.834 -5.191 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.801 -10.078 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.612 -8.622 -5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.389 -7.474 -6.336 1.00 0.00 H new ATOM 671 N GLU A 48 -10.286 -8.844 -9.401 1.00 0.00 N ATOM 672 CA GLU A 48 -9.290 -8.343 -10.341 1.00 0.00 C ATOM 673 C GLU A 48 -9.160 -6.826 -10.238 1.00 0.00 C ATOM 674 O GLU A 48 -8.067 -6.276 -10.373 1.00 0.00 O ATOM 675 CB GLU A 48 -9.663 -8.738 -11.771 1.00 0.00 C ATOM 676 CG GLU A 48 -11.000 -8.180 -12.229 1.00 0.00 C ATOM 677 CD GLU A 48 -11.578 -8.941 -13.406 1.00 0.00 C ATOM 678 OE1 GLU A 48 -11.019 -8.829 -14.517 1.00 0.00 O ATOM 679 OE2 GLU A 48 -12.589 -9.649 -13.216 1.00 0.00 O ATOM 0 H GLU A 48 -11.154 -9.161 -9.834 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.329 -8.791 -10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.883 -8.392 -12.449 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.689 -9.825 -11.843 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.706 -8.211 -11.399 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.877 -7.132 -12.504 1.00 0.00 H new ATOM 686 N ARG A 49 -10.283 -6.156 -9.999 1.00 0.00 N ATOM 687 CA ARG A 49 -10.295 -4.703 -9.881 1.00 0.00 C ATOM 688 C ARG A 49 -9.124 -4.217 -9.032 1.00 0.00 C ATOM 689 O ARG A 49 -8.514 -3.189 -9.328 1.00 0.00 O ATOM 690 CB ARG A 49 -11.615 -4.232 -9.266 1.00 0.00 C ATOM 691 CG ARG A 49 -12.821 -4.465 -10.161 1.00 0.00 C ATOM 692 CD ARG A 49 -13.985 -3.567 -9.773 1.00 0.00 C ATOM 693 NE ARG A 49 -14.666 -4.042 -8.572 1.00 0.00 N ATOM 694 CZ ARG A 49 -15.909 -3.703 -8.249 1.00 0.00 C ATOM 695 NH1 ARG A 49 -16.603 -2.891 -9.034 1.00 0.00 N ATOM 696 NH2 ARG A 49 -16.461 -4.177 -7.139 1.00 0.00 N ATOM 0 H ARG A 49 -11.196 -6.596 -9.883 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.196 -4.281 -10.881 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.770 -4.750 -8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.541 -3.168 -9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.546 -4.278 -11.199 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.128 -5.509 -10.095 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.621 -2.553 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.696 -3.519 -10.598 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.159 -4.669 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.183 -2.525 -9.888 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.557 -2.632 -8.784 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.931 -4.803 -6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.416 -3.916 -6.892 1.00 0.00 H new ATOM 710 N CYS A 50 -8.817 -4.962 -7.976 1.00 0.00 N ATOM 711 CA CYS A 50 -7.720 -4.606 -7.083 1.00 0.00 C ATOM 712 C CYS A 50 -6.424 -4.413 -7.864 1.00 0.00 C ATOM 713 O CYS A 50 -6.047 -5.253 -8.681 1.00 0.00 O ATOM 714 CB CYS A 50 -7.531 -5.687 -6.017 1.00 0.00 C ATOM 715 SG CYS A 50 -9.048 -6.134 -5.142 1.00 0.00 S ATOM 0 H CYS A 50 -9.312 -5.816 -7.717 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.973 -3.665 -6.595 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -7.120 -6.580 -6.489 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.794 -5.342 -5.292 1.00 0.00 H new ATOM 0 HG CYS A 50 -8.787 -7.056 -4.263 1.00 0.00 H new ATOM 721 N THR A 51 -5.746 -3.298 -7.608 1.00 0.00 N ATOM 722 CA THR A 51 -4.494 -2.992 -8.289 1.00 0.00 C ATOM 723 C THR A 51 -3.299 -3.519 -7.505 1.00 0.00 C ATOM 724 O THR A 51 -2.352 -4.018 -8.113 1.00 0.00 O ATOM 725 CB THR A 51 -4.326 -1.475 -8.500 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.519 -0.783 -7.262 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.316 -0.960 -9.535 1.00 0.00 C ATOM 0 H THR A 51 -6.043 -2.592 -6.934 1.00 0.00 H new ATOM 0 HA THR A 51 -4.534 -3.485 -9.260 1.00 0.00 H new ATOM 0 HB THR A 51 -3.315 -1.291 -8.864 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.666 -0.724 -6.784 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.179 0.113 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.146 -1.467 -10.485 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.333 -1.157 -9.195 1.00 0.00 H new ATOM 735 N HIS A 52 -3.365 -3.402 -6.187 1.00 0.00 N ATOM 736 CA HIS A 52 -2.283 -3.871 -5.338 1.00 0.00 C ATOM 737 C HIS A 52 -2.797 -4.980 -4.418 1.00 0.00 C ATOM 738 O HIS A 52 -3.998 -5.231 -4.304 1.00 0.00 O ATOM 739 CB HIS A 52 -1.652 -2.709 -4.570 1.00 0.00 C ATOM 740 CG HIS A 52 -0.996 -1.674 -5.452 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.684 -0.977 -6.430 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.291 -1.224 -5.493 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.840 -0.149 -7.027 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.384 -0.304 -6.446 1.00 0.00 N ATOM 0 H HIS A 52 -4.152 -2.989 -5.686 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.490 -4.296 -5.954 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.421 -2.224 -3.969 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.909 -3.105 -3.878 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.098 -1.559 -4.858 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.079 0.530 -7.832 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.231 0.203 -6.701 1.00 0.00 H new ATOM 752 N LEU A 53 -1.854 -5.644 -3.758 1.00 0.00 N ATOM 753 CA LEU A 53 -2.183 -6.731 -2.841 1.00 0.00 C ATOM 754 C LEU A 53 -1.167 -6.811 -1.706 1.00 0.00 C ATOM 755 O LEU A 53 -0.036 -7.257 -1.904 1.00 0.00 O ATOM 756 CB LEU A 53 -2.232 -8.062 -3.593 1.00 0.00 C ATOM 757 CG LEU A 53 -2.295 -9.320 -2.727 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.521 -9.288 -1.827 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.304 -10.568 -3.598 1.00 0.00 C ATOM 0 H LEU A 53 -0.856 -5.449 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.164 -6.528 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.102 -8.053 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.351 -8.128 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.407 -9.348 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.549 -10.192 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.473 -8.414 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.421 -9.235 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.349 -11.454 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.174 -10.547 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.396 -10.598 -4.200 1.00 0.00 H new ATOM 771 N ILE A 54 -1.578 -6.380 -0.519 1.00 0.00 N ATOM 772 CA ILE A 54 -0.705 -6.407 0.648 1.00 0.00 C ATOM 773 C ILE A 54 -1.024 -7.598 1.546 1.00 0.00 C ATOM 774 O ILE A 54 -1.931 -7.538 2.375 1.00 0.00 O ATOM 775 CB ILE A 54 -0.824 -5.111 1.471 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.418 -3.904 0.623 1.00 0.00 C ATOM 777 CG2 ILE A 54 0.034 -5.198 2.724 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.564 -3.303 -0.161 1.00 0.00 C ATOM 0 H ILE A 54 -2.511 -6.008 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 54 0.316 -6.498 0.276 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.863 -4.985 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.007 -3.140 1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.367 -4.205 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.061 -4.274 3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.298 -6.038 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.077 -5.344 2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.203 -2.452 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.975 -4.053 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.341 -2.971 0.527 1.00 0.00 H new ATOM 790 N VAL A 55 -0.269 -8.679 1.376 1.00 0.00 N ATOM 791 CA VAL A 55 -0.469 -9.883 2.173 1.00 0.00 C ATOM 792 C VAL A 55 0.546 -9.967 3.307 1.00 0.00 C ATOM 793 O VAL A 55 1.704 -9.581 3.145 1.00 0.00 O ATOM 794 CB VAL A 55 -0.362 -11.153 1.307 1.00 0.00 C ATOM 795 CG1 VAL A 55 0.985 -11.206 0.601 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.576 -12.396 2.158 1.00 0.00 C ATOM 0 H VAL A 55 0.486 -8.745 0.694 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.473 -9.822 2.593 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.143 -11.121 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.042 -12.110 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.095 -10.331 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.784 -11.215 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.497 -13.284 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.182 -12.436 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.566 -12.360 2.613 1.00 0.00 H new ATOM 806 N GLU A 56 0.104 -10.473 4.454 1.00 0.00 N ATOM 807 CA GLU A 56 0.976 -10.606 5.615 1.00 0.00 C ATOM 808 C GLU A 56 1.864 -11.841 5.490 1.00 0.00 C ATOM 809 O GLU A 56 1.492 -12.931 5.923 1.00 0.00 O ATOM 810 CB GLU A 56 0.145 -10.690 6.897 1.00 0.00 C ATOM 811 CG GLU A 56 0.983 -10.785 8.161 1.00 0.00 C ATOM 812 CD GLU A 56 0.189 -10.466 9.413 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.882 -11.077 9.609 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.640 -9.605 10.197 1.00 0.00 O ATOM 0 H GLU A 56 -0.851 -10.797 4.604 1.00 0.00 H new ATOM 0 HA GLU A 56 1.614 -9.724 5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.497 -9.811 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.510 -11.560 6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.396 -11.790 8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.827 -10.099 8.086 1.00 0.00 H new ATOM 821 N GLU A 57 3.038 -11.660 4.895 1.00 0.00 N ATOM 822 CA GLU A 57 3.979 -12.759 4.712 1.00 0.00 C ATOM 823 C GLU A 57 4.328 -13.405 6.049 1.00 0.00 C ATOM 824 O GLU A 57 4.623 -14.598 6.116 1.00 0.00 O ATOM 825 CB GLU A 57 5.252 -12.262 4.025 1.00 0.00 C ATOM 826 CG GLU A 57 6.013 -11.224 4.834 1.00 0.00 C ATOM 827 CD GLU A 57 7.008 -11.847 5.794 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.703 -12.803 5.391 1.00 0.00 O ATOM 829 OE2 GLU A 57 7.091 -11.378 6.948 1.00 0.00 O ATOM 0 H GLU A 57 3.361 -10.763 4.531 1.00 0.00 H new ATOM 0 HA GLU A 57 3.503 -13.508 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.907 -13.112 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.990 -11.835 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.540 -10.554 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.304 -10.615 5.396 1.00 0.00 H new ATOM 836 N ASN A 58 4.291 -12.608 7.112 1.00 0.00 N ATOM 837 CA ASN A 58 4.605 -13.101 8.448 1.00 0.00 C ATOM 838 C ASN A 58 3.892 -14.422 8.722 1.00 0.00 C ATOM 839 O ASN A 58 4.528 -15.433 9.023 1.00 0.00 O ATOM 840 CB ASN A 58 4.206 -12.066 9.503 1.00 0.00 C ATOM 841 CG ASN A 58 5.325 -11.088 9.804 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.474 -11.484 10.005 1.00 0.00 O ATOM 843 ND2 ASN A 58 4.994 -9.803 9.837 1.00 0.00 N ATOM 0 H ASN A 58 4.047 -11.618 7.074 1.00 0.00 H new ATOM 0 HA ASN A 58 5.680 -13.270 8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.330 -11.517 9.157 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.918 -12.579 10.421 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.704 -9.098 10.035 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.029 -9.520 9.664 1.00 0.00 H new ATOM 850 N THR A 59 2.567 -14.407 8.614 1.00 0.00 N ATOM 851 CA THR A 59 1.767 -15.602 8.850 1.00 0.00 C ATOM 852 C THR A 59 1.411 -16.293 7.539 1.00 0.00 C ATOM 853 O THR A 59 1.497 -17.516 7.427 1.00 0.00 O ATOM 854 CB THR A 59 0.470 -15.269 9.611 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.232 -16.475 9.933 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.426 -14.362 8.781 1.00 0.00 C ATOM 0 H THR A 59 2.025 -13.580 8.364 1.00 0.00 H new ATOM 0 HA THR A 59 2.374 -16.273 9.458 1.00 0.00 H new ATOM 0 HB THR A 59 0.737 -14.748 10.530 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.055 -16.255 10.418 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.336 -14.140 9.339 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.100 -13.433 8.561 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.685 -14.862 7.848 1.00 0.00 H new ATOM 864 N VAL A 60 1.012 -15.502 6.548 1.00 0.00 N ATOM 865 CA VAL A 60 0.644 -16.038 5.243 1.00 0.00 C ATOM 866 C VAL A 60 1.863 -16.593 4.514 1.00 0.00 C ATOM 867 O VAL A 60 2.810 -15.864 4.219 1.00 0.00 O ATOM 868 CB VAL A 60 -0.022 -14.964 4.362 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.497 -15.568 3.050 1.00 0.00 C ATOM 870 CG2 VAL A 60 -1.175 -14.307 5.105 1.00 0.00 C ATOM 0 H VAL A 60 0.935 -14.488 6.624 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.068 -16.844 5.421 1.00 0.00 H new ATOM 0 HB VAL A 60 0.717 -14.197 4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.965 -14.794 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.354 -15.987 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.221 -16.357 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.634 -13.551 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.917 -15.062 5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.801 -13.837 6.015 1.00 0.00 H new ATOM 880 N LYS A 61 1.833 -17.890 4.225 1.00 0.00 N ATOM 881 CA LYS A 61 2.933 -18.545 3.528 1.00 0.00 C ATOM 882 C LYS A 61 2.672 -18.598 2.026 1.00 0.00 C ATOM 883 O LYS A 61 3.530 -18.226 1.225 1.00 0.00 O ATOM 884 CB LYS A 61 3.137 -19.962 4.071 1.00 0.00 C ATOM 885 CG LYS A 61 4.043 -20.022 5.288 1.00 0.00 C ATOM 886 CD LYS A 61 5.510 -20.032 4.891 1.00 0.00 C ATOM 887 CE LYS A 61 5.962 -21.420 4.463 1.00 0.00 C ATOM 888 NZ LYS A 61 7.148 -21.363 3.563 1.00 0.00 N ATOM 0 H LYS A 61 1.058 -18.508 4.463 1.00 0.00 H new ATOM 0 HA LYS A 61 3.837 -17.962 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.167 -20.386 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.558 -20.587 3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.845 -19.165 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.816 -20.916 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.672 -19.328 4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.117 -19.693 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.204 -22.012 5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.143 -21.928 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.426 -22.328 3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.910 -20.820 2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.938 -20.901 4.058 1.00 0.00 H new ATOM 902 N ASP A 62 1.484 -19.059 1.653 1.00 0.00 N ATOM 903 CA ASP A 62 1.109 -19.157 0.247 1.00 0.00 C ATOM 904 C ASP A 62 -0.269 -18.549 0.008 1.00 0.00 C ATOM 905 O ASP A 62 -1.216 -18.821 0.748 1.00 0.00 O ATOM 906 CB ASP A 62 1.121 -20.618 -0.205 1.00 0.00 C ATOM 907 CG ASP A 62 0.657 -21.565 0.884 1.00 0.00 C ATOM 908 OD1 ASP A 62 1.384 -21.717 1.888 1.00 0.00 O ATOM 909 OD2 ASP A 62 -0.434 -22.154 0.733 1.00 0.00 O ATOM 0 H ASP A 62 0.764 -19.371 2.304 1.00 0.00 H new ATOM 0 HA ASP A 62 1.839 -18.598 -0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.478 -20.730 -1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.130 -20.891 -0.514 1.00 0.00 H new ATOM 914 N LEU A 63 -0.375 -17.725 -1.028 1.00 0.00 N ATOM 915 CA LEU A 63 -1.638 -17.076 -1.364 1.00 0.00 C ATOM 916 C LEU A 63 -2.717 -18.111 -1.666 1.00 0.00 C ATOM 917 O LEU A 63 -2.457 -19.163 -2.250 1.00 0.00 O ATOM 918 CB LEU A 63 -1.453 -16.149 -2.567 1.00 0.00 C ATOM 919 CG LEU A 63 -0.605 -14.900 -2.327 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.143 -14.306 -3.649 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.385 -13.871 -1.521 1.00 0.00 C ATOM 0 H LEU A 63 0.398 -17.490 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.956 -16.486 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.999 -16.722 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.438 -15.834 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 63 0.276 -15.188 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.459 -13.418 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.455 -15.040 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.011 -14.034 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.765 -12.989 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.285 -13.587 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.664 -14.299 -0.558 1.00 0.00 H new ATOM 933 N PRO A 64 -3.959 -17.806 -1.262 1.00 0.00 N ATOM 934 CA PRO A 64 -5.104 -18.695 -1.481 1.00 0.00 C ATOM 935 C PRO A 64 -5.498 -18.780 -2.952 1.00 0.00 C ATOM 936 O PRO A 64 -6.325 -19.608 -3.336 1.00 0.00 O ATOM 937 CB PRO A 64 -6.222 -18.041 -0.665 1.00 0.00 C ATOM 938 CG PRO A 64 -5.845 -16.602 -0.590 1.00 0.00 C ATOM 939 CD PRO A 64 -4.342 -16.569 -0.560 1.00 0.00 C ATOM 0 HA PRO A 64 -4.886 -19.721 -1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.191 -18.172 -1.146 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.297 -18.483 0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.230 -16.052 -1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.264 -16.135 0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.949 -15.684 -1.062 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.961 -16.552 0.461 1.00 0.00 H new ATOM 947 N PHE A 65 -4.902 -17.920 -3.771 1.00 0.00 N ATOM 948 CA PHE A 65 -5.192 -17.899 -5.200 1.00 0.00 C ATOM 949 C PHE A 65 -3.961 -17.477 -5.998 1.00 0.00 C ATOM 950 O PHE A 65 -2.958 -17.046 -5.429 1.00 0.00 O ATOM 951 CB PHE A 65 -6.354 -16.947 -5.492 1.00 0.00 C ATOM 952 CG PHE A 65 -5.955 -15.499 -5.504 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.472 -14.890 -4.357 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.063 -14.747 -6.663 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.103 -13.558 -4.365 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.695 -13.415 -6.677 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.216 -12.819 -5.526 1.00 0.00 C ATOM 0 H PHE A 65 -4.215 -17.229 -3.470 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.473 -18.908 -5.504 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.789 -17.204 -6.458 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.131 -17.095 -4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.383 -15.463 -3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.439 -15.207 -7.565 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.727 -13.096 -3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.782 -12.840 -7.587 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.931 -11.777 -5.534 1.00 0.00 H new ATOM 967 N GLU A 66 -4.047 -17.605 -7.318 1.00 0.00 N ATOM 968 CA GLU A 66 -2.941 -17.238 -8.194 1.00 0.00 C ATOM 969 C GLU A 66 -3.215 -15.908 -8.890 1.00 0.00 C ATOM 970 O GLU A 66 -3.855 -15.849 -9.940 1.00 0.00 O ATOM 971 CB GLU A 66 -2.702 -18.333 -9.237 1.00 0.00 C ATOM 972 CG GLU A 66 -1.268 -18.398 -9.733 1.00 0.00 C ATOM 973 CD GLU A 66 -0.989 -17.403 -10.843 1.00 0.00 C ATOM 974 OE1 GLU A 66 -1.690 -16.372 -10.906 1.00 0.00 O ATOM 975 OE2 GLU A 66 -0.068 -17.655 -11.648 1.00 0.00 O ATOM 0 H GLU A 66 -4.871 -17.960 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.047 -17.129 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.973 -19.297 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.364 -18.165 -10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.591 -18.207 -8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.057 -19.405 -10.092 1.00 0.00 H new ATOM 982 N PRO A 67 -2.720 -14.815 -8.291 1.00 0.00 N ATOM 983 CA PRO A 67 -2.899 -13.465 -8.835 1.00 0.00 C ATOM 984 C PRO A 67 -2.100 -13.246 -10.115 1.00 0.00 C ATOM 985 O PRO A 67 -1.000 -13.775 -10.270 1.00 0.00 O ATOM 986 CB PRO A 67 -2.377 -12.560 -7.717 1.00 0.00 C ATOM 987 CG PRO A 67 -1.413 -13.408 -6.962 1.00 0.00 C ATOM 988 CD PRO A 67 -1.948 -14.811 -7.038 1.00 0.00 C ATOM 0 HA PRO A 67 -3.936 -13.270 -9.110 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.891 -11.672 -8.121 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.188 -12.215 -7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.415 -13.347 -7.397 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.330 -13.077 -5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.144 -15.547 -7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.575 -15.049 -6.179 1.00 0.00 H new ATOM 996 N SER A 68 -2.661 -12.461 -11.030 1.00 0.00 N ATOM 997 CA SER A 68 -2.002 -12.175 -12.299 1.00 0.00 C ATOM 998 C SER A 68 -0.915 -11.119 -12.120 1.00 0.00 C ATOM 999 O SER A 68 -0.814 -10.487 -11.068 1.00 0.00 O ATOM 1000 CB SER A 68 -3.024 -11.700 -13.334 1.00 0.00 C ATOM 1001 OG SER A 68 -3.730 -12.795 -13.892 1.00 0.00 O ATOM 0 H SER A 68 -3.570 -12.012 -10.916 1.00 0.00 H new ATOM 0 HA SER A 68 -1.537 -13.095 -12.654 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.727 -11.010 -12.866 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.516 -11.149 -14.126 1.00 0.00 H new ATOM 0 HG SER A 68 -4.378 -12.466 -14.549 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.104 -10.932 -13.155 1.00 0.00 N ATOM 1008 CA LYS A 69 0.976 -9.953 -13.116 1.00 0.00 C ATOM 1009 C LYS A 69 0.437 -8.563 -12.794 1.00 0.00 C ATOM 1010 O LYS A 69 0.973 -7.861 -11.935 1.00 0.00 O ATOM 1011 CB LYS A 69 1.718 -9.927 -14.454 1.00 0.00 C ATOM 1012 CG LYS A 69 2.844 -10.942 -14.545 1.00 0.00 C ATOM 1013 CD LYS A 69 2.348 -12.279 -15.072 1.00 0.00 C ATOM 1014 CE LYS A 69 2.304 -12.296 -16.593 1.00 0.00 C ATOM 1015 NZ LYS A 69 3.661 -12.157 -17.189 1.00 0.00 N ATOM 0 H LYS A 69 -0.174 -11.446 -14.033 1.00 0.00 H new ATOM 0 HA LYS A 69 1.671 -10.246 -12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.006 -10.113 -15.258 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.126 -8.929 -14.614 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.628 -10.560 -15.199 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.290 -11.081 -13.560 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.001 -13.076 -14.717 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.353 -12.481 -14.676 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.852 -13.228 -16.933 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.667 -11.485 -16.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.664 -12.565 -18.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.915 -11.150 -17.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.353 -12.658 -16.597 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.626 -8.170 -13.488 1.00 0.00 N ATOM 1030 CA LYS A 70 -1.240 -6.864 -13.274 1.00 0.00 C ATOM 1031 C LYS A 70 -1.306 -6.531 -11.788 1.00 0.00 C ATOM 1032 O LYS A 70 -0.968 -5.420 -11.374 1.00 0.00 O ATOM 1033 CB LYS A 70 -2.646 -6.834 -13.878 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.579 -7.884 -13.299 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.618 -8.327 -14.315 1.00 0.00 C ATOM 1036 CE LYS A 70 -3.967 -8.923 -15.554 1.00 0.00 C ATOM 1037 NZ LYS A 70 -4.888 -9.844 -16.276 1.00 0.00 N ATOM 0 H LYS A 70 -1.080 -8.737 -14.204 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.623 -6.114 -13.769 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.080 -5.847 -13.719 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.573 -6.980 -14.956 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.999 -8.746 -12.971 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.079 -7.482 -12.418 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.281 -9.063 -13.861 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.235 -7.475 -14.601 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.658 -8.120 -16.223 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.065 -9.463 -15.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.407 -10.229 -17.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.163 -10.624 -15.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.737 -9.323 -16.573 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.741 -7.498 -10.988 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.850 -7.307 -9.546 1.00 0.00 C ATOM 1053 C LEU A 71 -0.480 -7.394 -8.880 1.00 0.00 C ATOM 1054 O LEU A 71 0.173 -8.437 -8.915 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.790 -8.352 -8.942 1.00 0.00 C ATOM 1056 CG LEU A 71 -3.134 -8.172 -7.463 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -4.012 -6.946 -7.265 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.821 -9.416 -6.920 1.00 0.00 C ATOM 0 H LEU A 71 -2.024 -8.422 -11.313 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.259 -6.313 -9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.718 -8.349 -9.513 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.339 -9.336 -9.072 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.207 -8.023 -6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.247 -6.834 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.483 -6.060 -7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.936 -7.065 -7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.058 -9.270 -5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.740 -9.597 -7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.157 -10.274 -7.027 1.00 0.00 H new ATOM 1070 N PHE A 72 -0.053 -6.292 -8.272 1.00 0.00 N ATOM 1071 CA PHE A 72 1.239 -6.244 -7.597 1.00 0.00 C ATOM 1072 C PHE A 72 1.101 -6.641 -6.130 1.00 0.00 C ATOM 1073 O PHE A 72 0.517 -5.911 -5.330 1.00 0.00 O ATOM 1074 CB PHE A 72 1.842 -4.841 -7.703 1.00 0.00 C ATOM 1075 CG PHE A 72 2.185 -4.441 -9.109 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.301 -4.965 -9.740 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.391 -3.540 -9.800 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.620 -4.597 -11.033 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.704 -3.169 -11.094 1.00 0.00 C ATOM 1080 CZ PHE A 72 2.819 -3.699 -11.712 1.00 0.00 C ATOM 0 H PHE A 72 -0.582 -5.421 -8.233 1.00 0.00 H new ATOM 0 HA PHE A 72 1.904 -6.956 -8.087 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.137 -4.119 -7.290 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.742 -4.794 -7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.929 -5.670 -9.215 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.517 -3.123 -9.322 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.495 -5.011 -11.513 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.077 -2.465 -11.621 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.065 -3.412 -12.724 1.00 0.00 H new ATOM 1090 N VAL A 73 1.642 -7.805 -5.785 1.00 0.00 N ATOM 1091 CA VAL A 73 1.581 -8.301 -4.416 1.00 0.00 C ATOM 1092 C VAL A 73 2.821 -7.895 -3.628 1.00 0.00 C ATOM 1093 O VAL A 73 3.939 -8.285 -3.966 1.00 0.00 O ATOM 1094 CB VAL A 73 1.442 -9.835 -4.379 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.217 -10.317 -2.954 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.310 -10.289 -5.289 1.00 0.00 C ATOM 0 H VAL A 73 2.128 -8.422 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 73 0.700 -7.853 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 73 2.370 -10.275 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.121 -11.403 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.063 -10.024 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.305 -9.870 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.226 -11.375 -5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.626 -9.841 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.518 -9.977 -6.312 1.00 0.00 H new ATOM 1106 N VAL A 74 2.616 -7.110 -2.575 1.00 0.00 N ATOM 1107 CA VAL A 74 3.718 -6.652 -1.737 1.00 0.00 C ATOM 1108 C VAL A 74 3.493 -7.031 -0.278 1.00 0.00 C ATOM 1109 O VAL A 74 2.509 -7.689 0.060 1.00 0.00 O ATOM 1110 CB VAL A 74 3.902 -5.126 -1.837 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.648 -4.760 -3.111 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.555 -4.422 -1.777 1.00 0.00 C ATOM 0 H VAL A 74 1.697 -6.778 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 74 4.619 -7.144 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 74 4.498 -4.793 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.768 -3.678 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.629 -5.235 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.082 -5.105 -3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.704 -3.345 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.931 -4.758 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.063 -4.658 -0.833 1.00 0.00 H new ATOM 1122 N LYS A 75 4.413 -6.613 0.585 1.00 0.00 N ATOM 1123 CA LYS A 75 4.316 -6.906 2.010 1.00 0.00 C ATOM 1124 C LYS A 75 3.509 -5.832 2.733 1.00 0.00 C ATOM 1125 O LYS A 75 2.964 -4.925 2.104 1.00 0.00 O ATOM 1126 CB LYS A 75 5.713 -7.011 2.626 1.00 0.00 C ATOM 1127 CG LYS A 75 6.655 -7.911 1.847 1.00 0.00 C ATOM 1128 CD LYS A 75 8.106 -7.507 2.048 1.00 0.00 C ATOM 1129 CE LYS A 75 9.010 -8.132 0.996 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.410 -8.276 1.483 1.00 0.00 N ATOM 0 H LYS A 75 5.235 -6.070 0.322 1.00 0.00 H new ATOM 0 HA LYS A 75 3.802 -7.860 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.148 -6.014 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.624 -7.387 3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.517 -8.945 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.408 -7.867 0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.192 -6.421 2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.436 -7.813 3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.620 -9.111 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.000 -7.517 0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.994 -8.705 0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.791 -7.339 1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.423 -8.884 2.327 1.00 0.00 H new ATOM 1144 N GLN A 76 3.438 -5.941 4.055 1.00 0.00 N ATOM 1145 CA GLN A 76 2.698 -4.979 4.863 1.00 0.00 C ATOM 1146 C GLN A 76 3.411 -3.631 4.891 1.00 0.00 C ATOM 1147 O GLN A 76 2.789 -2.586 4.699 1.00 0.00 O ATOM 1148 CB GLN A 76 2.521 -5.505 6.288 1.00 0.00 C ATOM 1149 CG GLN A 76 3.834 -5.736 7.019 1.00 0.00 C ATOM 1150 CD GLN A 76 3.731 -6.816 8.078 1.00 0.00 C ATOM 1151 OE1 GLN A 76 3.201 -7.972 7.695 1.00 0.00 O flip ATOM 1152 NE2 GLN A 76 4.123 -6.614 9.227 1.00 0.00 N flip ATOM 0 H GLN A 76 3.884 -6.686 4.590 1.00 0.00 H new ATOM 0 HA GLN A 76 1.716 -4.842 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.919 -4.796 6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.964 -6.441 6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.603 -6.012 6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.154 -4.804 7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.524 -5.710 9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.047 -7.350 9.929 1.00 0.00 H new ATOM 1161 N GLU A 77 4.718 -3.662 5.132 1.00 0.00 N ATOM 1162 CA GLU A 77 5.513 -2.441 5.187 1.00 0.00 C ATOM 1163 C GLU A 77 5.037 -1.434 4.144 1.00 0.00 C ATOM 1164 O GLU A 77 4.632 -0.322 4.480 1.00 0.00 O ATOM 1165 CB GLU A 77 6.993 -2.761 4.965 1.00 0.00 C ATOM 1166 CG GLU A 77 7.935 -1.773 5.634 1.00 0.00 C ATOM 1167 CD GLU A 77 7.714 -1.677 7.131 1.00 0.00 C ATOM 1168 OE1 GLU A 77 8.068 -2.637 7.846 1.00 0.00 O ATOM 1169 OE2 GLU A 77 7.186 -0.641 7.586 1.00 0.00 O ATOM 0 H GLU A 77 5.248 -4.519 5.292 1.00 0.00 H new ATOM 0 HA GLU A 77 5.388 -2.000 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.201 -3.762 5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.196 -2.777 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.965 -2.072 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.800 -0.788 5.187 1.00 0.00 H new ATOM 1176 N TRP A 78 5.090 -1.833 2.878 1.00 0.00 N ATOM 1177 CA TRP A 78 4.665 -0.966 1.785 1.00 0.00 C ATOM 1178 C TRP A 78 3.493 -0.089 2.211 1.00 0.00 C ATOM 1179 O TRP A 78 3.622 1.132 2.307 1.00 0.00 O ATOM 1180 CB TRP A 78 4.275 -1.803 0.566 1.00 0.00 C ATOM 1181 CG TRP A 78 4.114 -0.991 -0.684 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.071 -0.736 -1.624 1.00 0.00 C ATOM 1183 CD2 TRP A 78 2.925 -0.328 -1.128 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.549 0.046 -2.626 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.234 0.310 -2.346 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.630 -0.212 -0.617 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.295 1.052 -3.056 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.699 0.526 -1.323 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.034 1.149 -2.532 1.00 0.00 C ATOM 0 H TRP A 78 5.423 -2.751 2.583 1.00 0.00 H new ATOM 0 HA TRP A 78 5.501 -0.319 1.520 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.035 -2.566 0.400 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.341 -2.324 0.775 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.089 -1.096 -1.586 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.058 0.377 -3.446 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.361 -0.691 0.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.552 1.534 -3.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.304 0.624 -0.936 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.283 1.717 -3.061 1.00 0.00 H new ATOM 1200 N PHE A 79 2.350 -0.717 2.465 1.00 0.00 N ATOM 1201 CA PHE A 79 1.155 0.008 2.880 1.00 0.00 C ATOM 1202 C PHE A 79 1.484 1.016 3.977 1.00 0.00 C ATOM 1203 O PHE A 79 1.133 2.192 3.879 1.00 0.00 O ATOM 1204 CB PHE A 79 0.086 -0.969 3.374 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.127 -0.292 3.947 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -2.069 0.291 3.115 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.324 -0.239 5.317 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -3.185 0.915 3.640 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.438 0.383 5.848 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.370 0.960 5.008 1.00 0.00 C ATOM 0 H PHE A 79 2.226 -1.727 2.391 1.00 0.00 H new ATOM 0 HA PHE A 79 0.771 0.550 2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.221 -1.608 2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.522 -1.619 4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.930 0.258 2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.598 -0.689 5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.912 1.367 2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.579 0.418 6.918 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.242 1.446 5.420 1.00 0.00 H new ATOM 1220 N TRP A 80 2.158 0.547 5.021 1.00 0.00 N ATOM 1221 CA TRP A 80 2.534 1.407 6.137 1.00 0.00 C ATOM 1222 C TRP A 80 3.386 2.577 5.659 1.00 0.00 C ATOM 1223 O TRP A 80 2.966 3.731 5.725 1.00 0.00 O ATOM 1224 CB TRP A 80 3.294 0.603 7.193 1.00 0.00 C ATOM 1225 CG TRP A 80 2.484 -0.507 7.792 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.804 -1.835 7.814 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.220 -0.386 8.453 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.815 -2.546 8.448 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.832 -1.680 8.850 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.379 0.690 8.749 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.360 -1.924 9.527 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.804 0.446 9.420 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.164 -0.852 9.804 1.00 0.00 C ATOM 0 H TRP A 80 2.455 -0.424 5.118 1.00 0.00 H new ATOM 0 HA TRP A 80 1.622 1.805 6.581 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.194 0.184 6.742 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.619 1.275 7.987 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.703 -2.263 7.394 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.812 -3.555 8.596 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.649 1.695 8.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.640 -2.924 9.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.462 1.270 9.652 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.094 -1.010 10.329 1.00 0.00 H new ATOM 1244 N GLY A 81 4.588 2.271 5.178 1.00 0.00 N ATOM 1245 CA GLY A 81 5.480 3.309 4.697 1.00 0.00 C ATOM 1246 C GLY A 81 4.755 4.370 3.892 1.00 0.00 C ATOM 1247 O GLY A 81 4.662 5.523 4.314 1.00 0.00 O ATOM 0 H GLY A 81 4.959 1.323 5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.977 3.778 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.258 2.858 4.081 1.00 0.00 H new ATOM 1251 N SER A 82 4.242 3.981 2.730 1.00 0.00 N ATOM 1252 CA SER A 82 3.526 4.908 1.861 1.00 0.00 C ATOM 1253 C SER A 82 2.676 5.874 2.681 1.00 0.00 C ATOM 1254 O SER A 82 2.564 7.054 2.350 1.00 0.00 O ATOM 1255 CB SER A 82 2.641 4.140 0.878 1.00 0.00 C ATOM 1256 OG SER A 82 3.408 3.605 -0.187 1.00 0.00 O ATOM 0 H SER A 82 4.309 3.030 2.368 1.00 0.00 H new ATOM 0 HA SER A 82 4.262 5.484 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.126 3.334 1.401 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.873 4.803 0.480 1.00 0.00 H new ATOM 0 HG SER A 82 4.328 3.454 0.116 1.00 0.00 H new ATOM 1262 N ILE A 83 2.078 5.363 3.752 1.00 0.00 N ATOM 1263 CA ILE A 83 1.238 6.179 4.620 1.00 0.00 C ATOM 1264 C ILE A 83 2.083 7.103 5.491 1.00 0.00 C ATOM 1265 O ILE A 83 1.812 8.300 5.584 1.00 0.00 O ATOM 1266 CB ILE A 83 0.352 5.306 5.528 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.513 4.368 4.684 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.519 6.181 6.417 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -0.862 3.073 5.384 1.00 0.00 C ATOM 0 H ILE A 83 2.160 4.388 4.039 1.00 0.00 H new ATOM 0 HA ILE A 83 0.600 6.778 3.970 1.00 0.00 H new ATOM 0 HB ILE A 83 0.996 4.700 6.166 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.434 4.884 4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.012 4.140 3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.140 5.550 7.053 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.115 6.812 7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.157 6.809 5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.476 2.458 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.053 2.536 5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.415 3.291 6.298 1.00 0.00 H new ATOM 1281 N GLN A 84 3.107 6.540 6.123 1.00 0.00 N ATOM 1282 CA GLN A 84 3.991 7.315 6.985 1.00 0.00 C ATOM 1283 C GLN A 84 4.606 8.485 6.224 1.00 0.00 C ATOM 1284 O GLN A 84 4.665 9.605 6.730 1.00 0.00 O ATOM 1285 CB GLN A 84 5.097 6.422 7.551 1.00 0.00 C ATOM 1286 CG GLN A 84 5.606 6.872 8.911 1.00 0.00 C ATOM 1287 CD GLN A 84 4.738 6.375 10.051 1.00 0.00 C ATOM 1288 OE1 GLN A 84 5.029 5.349 10.666 1.00 0.00 O ATOM 1289 NE2 GLN A 84 3.665 7.103 10.340 1.00 0.00 N ATOM 0 H GLN A 84 3.345 5.551 6.055 1.00 0.00 H new ATOM 0 HA GLN A 84 3.397 7.713 7.808 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.723 5.401 7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.931 6.401 6.849 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.625 6.512 9.051 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.646 7.961 8.938 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.462 7.947 9.804 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.044 6.818 11.098 1.00 0.00 H new ATOM 1298 N MET A 85 5.061 8.217 5.004 1.00 0.00 N ATOM 1299 CA MET A 85 5.670 9.248 4.173 1.00 0.00 C ATOM 1300 C MET A 85 4.652 9.833 3.199 1.00 0.00 C ATOM 1301 O MET A 85 4.950 10.777 2.466 1.00 0.00 O ATOM 1302 CB MET A 85 6.860 8.675 3.401 1.00 0.00 C ATOM 1303 CG MET A 85 6.486 7.537 2.465 1.00 0.00 C ATOM 1304 SD MET A 85 7.828 6.354 2.238 1.00 0.00 S ATOM 1305 CE MET A 85 7.506 5.793 0.568 1.00 0.00 C ATOM 0 H MET A 85 5.019 7.295 4.570 1.00 0.00 H new ATOM 0 HA MET A 85 6.021 10.046 4.827 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.325 9.473 2.822 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.607 8.320 4.111 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.613 7.018 2.861 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.201 7.947 1.496 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.330 5.165 0.230 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.580 5.218 0.550 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.411 6.654 -0.093 1.00 0.00 H new ATOM 1315 N ASP A 86 3.450 9.268 3.197 1.00 0.00 N ATOM 1316 CA ASP A 86 2.387 9.734 2.313 1.00 0.00 C ATOM 1317 C ASP A 86 2.859 9.761 0.863 1.00 0.00 C ATOM 1318 O ASP A 86 2.575 10.703 0.125 1.00 0.00 O ATOM 1319 CB ASP A 86 1.918 11.127 2.736 1.00 0.00 C ATOM 1320 CG ASP A 86 1.390 11.154 4.157 1.00 0.00 C ATOM 1321 OD1 ASP A 86 2.213 11.205 5.094 1.00 0.00 O ATOM 1322 OD2 ASP A 86 0.153 11.122 4.331 1.00 0.00 O ATOM 0 H ASP A 86 3.187 8.487 3.797 1.00 0.00 H new ATOM 0 HA ASP A 86 1.552 9.038 2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.747 11.829 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.138 11.467 2.055 1.00 0.00 H new ATOM 1327 N ALA A 87 3.582 8.720 0.462 1.00 0.00 N ATOM 1328 CA ALA A 87 4.092 8.624 -0.900 1.00 0.00 C ATOM 1329 C ALA A 87 4.085 7.179 -1.388 1.00 0.00 C ATOM 1330 O ALA A 87 4.606 6.286 -0.720 1.00 0.00 O ATOM 1331 CB ALA A 87 5.496 9.203 -0.980 1.00 0.00 C ATOM 0 H ALA A 87 3.827 7.932 1.061 1.00 0.00 H new ATOM 0 HA ALA A 87 3.435 9.203 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.864 9.125 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.475 10.251 -0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.157 8.649 -0.313 1.00 0.00 H new ATOM 1337 N ARG A 88 3.491 6.956 -2.556 1.00 0.00 N ATOM 1338 CA ARG A 88 3.415 5.619 -3.132 1.00 0.00 C ATOM 1339 C ARG A 88 4.810 5.071 -3.418 1.00 0.00 C ATOM 1340 O ARG A 88 5.452 5.457 -4.394 1.00 0.00 O ATOM 1341 CB ARG A 88 2.591 5.642 -4.421 1.00 0.00 C ATOM 1342 CG ARG A 88 2.072 4.275 -4.836 1.00 0.00 C ATOM 1343 CD ARG A 88 1.293 4.347 -6.140 1.00 0.00 C ATOM 1344 NE ARG A 88 2.157 4.175 -7.304 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.734 4.296 -8.558 1.00 0.00 C ATOM 1346 NH1 ARG A 88 0.465 4.589 -8.807 1.00 0.00 N ATOM 1347 NH2 ARG A 88 2.581 4.124 -9.565 1.00 0.00 N ATOM 0 H ARG A 88 3.055 7.684 -3.122 1.00 0.00 H new ATOM 0 HA ARG A 88 2.927 4.966 -2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.746 6.318 -4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.203 6.049 -5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.909 3.586 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.432 3.874 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.522 3.577 -6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.784 5.309 -6.205 1.00 0.00 H new ATOM 0 HE ARG A 88 3.139 3.950 -7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.189 4.722 -8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.142 4.681 -9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.558 3.899 -9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.255 4.217 -10.527 1.00 0.00 H new ATOM 1361 N ALA A 89 5.273 4.167 -2.560 1.00 0.00 N ATOM 1362 CA ALA A 89 6.590 3.565 -2.721 1.00 0.00 C ATOM 1363 C ALA A 89 6.559 2.448 -3.759 1.00 0.00 C ATOM 1364 O ALA A 89 5.492 1.961 -4.130 1.00 0.00 O ATOM 1365 CB ALA A 89 7.094 3.035 -1.387 1.00 0.00 C ATOM 0 H ALA A 89 4.755 3.836 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 89 7.275 4.336 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.079 2.588 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.163 3.855 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.402 2.282 -1.010 1.00 0.00 H new ATOM 1371 N GLY A 90 7.738 2.045 -4.224 1.00 0.00 N ATOM 1372 CA GLY A 90 7.823 0.989 -5.215 1.00 0.00 C ATOM 1373 C GLY A 90 7.360 -0.350 -4.677 1.00 0.00 C ATOM 1374 O GLY A 90 6.934 -0.450 -3.526 1.00 0.00 O ATOM 0 H GLY A 90 8.636 2.431 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.218 1.258 -6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 90 8.853 0.902 -5.561 1.00 0.00 H new ATOM 1378 N GLU A 91 7.441 -1.382 -5.511 1.00 0.00 N ATOM 1379 CA GLU A 91 7.023 -2.721 -5.112 1.00 0.00 C ATOM 1380 C GLU A 91 8.203 -3.689 -5.137 1.00 0.00 C ATOM 1381 O GLU A 91 8.335 -4.548 -4.264 1.00 0.00 O ATOM 1382 CB GLU A 91 5.913 -3.229 -6.034 1.00 0.00 C ATOM 1383 CG GLU A 91 4.804 -2.217 -6.266 1.00 0.00 C ATOM 1384 CD GLU A 91 3.688 -2.329 -5.245 1.00 0.00 C ATOM 1385 OE1 GLU A 91 3.806 -1.710 -4.167 1.00 0.00 O ATOM 1386 OE2 GLU A 91 2.697 -3.036 -5.524 1.00 0.00 O ATOM 0 H GLU A 91 7.792 -1.317 -6.466 1.00 0.00 H new ATOM 0 HA GLU A 91 6.641 -2.666 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.348 -3.505 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.483 -4.135 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.222 -1.211 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.392 -2.358 -7.265 1.00 0.00 H new ATOM 1393 N THR A 92 9.058 -3.544 -6.144 1.00 0.00 N ATOM 1394 CA THR A 92 10.226 -4.405 -6.285 1.00 0.00 C ATOM 1395 C THR A 92 10.907 -4.632 -4.941 1.00 0.00 C ATOM 1396 O THR A 92 11.401 -5.724 -4.661 1.00 0.00 O ATOM 1397 CB THR A 92 11.247 -3.809 -7.272 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.714 -3.827 -8.600 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.554 -4.587 -7.234 1.00 0.00 C ATOM 0 H THR A 92 8.964 -2.838 -6.874 1.00 0.00 H new ATOM 0 HA THR A 92 9.870 -5.359 -6.674 1.00 0.00 H new ATOM 0 HB THR A 92 11.446 -2.779 -6.976 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.369 -3.445 -9.221 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.260 -4.148 -7.939 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.973 -4.546 -6.229 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.367 -5.626 -7.507 1.00 0.00 H new ATOM 1407 N MET A 93 10.929 -3.594 -4.111 1.00 0.00 N ATOM 1408 CA MET A 93 11.549 -3.682 -2.794 1.00 0.00 C ATOM 1409 C MET A 93 10.608 -4.347 -1.793 1.00 0.00 C ATOM 1410 O MET A 93 11.048 -5.067 -0.897 1.00 0.00 O ATOM 1411 CB MET A 93 11.939 -2.289 -2.296 1.00 0.00 C ATOM 1412 CG MET A 93 11.027 -1.184 -2.804 1.00 0.00 C ATOM 1413 SD MET A 93 11.597 -0.474 -4.360 1.00 0.00 S ATOM 1414 CE MET A 93 10.934 1.186 -4.237 1.00 0.00 C ATOM 0 H MET A 93 10.525 -2.683 -4.327 1.00 0.00 H new ATOM 0 HA MET A 93 12.447 -4.293 -2.883 1.00 0.00 H new ATOM 0 HB2 MET A 93 11.928 -2.286 -1.206 1.00 0.00 H new ATOM 0 HB3 MET A 93 12.962 -2.075 -2.605 1.00 0.00 H new ATOM 0 HG2 MET A 93 10.021 -1.581 -2.937 1.00 0.00 H new ATOM 0 HG3 MET A 93 10.962 -0.397 -2.052 1.00 0.00 H new ATOM 0 HE1 MET A 93 10.634 1.532 -5.226 1.00 0.00 H new ATOM 0 HE2 MET A 93 10.068 1.184 -3.575 1.00 0.00 H new ATOM 0 HE3 MET A 93 11.696 1.853 -3.835 1.00 0.00 H new ATOM 1424 N TYR A 94 9.312 -4.100 -1.953 1.00 0.00 N ATOM 1425 CA TYR A 94 8.310 -4.673 -1.062 1.00 0.00 C ATOM 1426 C TYR A 94 7.595 -5.844 -1.728 1.00 0.00 C ATOM 1427 O TYR A 94 6.473 -6.194 -1.357 1.00 0.00 O ATOM 1428 CB TYR A 94 7.293 -3.606 -0.652 1.00 0.00 C ATOM 1429 CG TYR A 94 7.926 -2.329 -0.145 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.361 -1.349 -1.028 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.089 -2.104 1.216 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.940 -0.181 -0.570 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.665 -0.939 1.683 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.089 0.020 0.786 1.00 0.00 C ATOM 1435 OH TYR A 94 9.665 1.181 1.247 1.00 0.00 O ATOM 0 H TYR A 94 8.931 -3.507 -2.691 1.00 0.00 H new ATOM 0 HA TYR A 94 8.820 -5.041 -0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.659 -3.373 -1.507 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.645 -4.013 0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.245 -1.503 -2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.760 -2.853 1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.274 0.570 -1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.783 -0.779 2.745 1.00 0.00 H new ATOM 0 HH TYR A 94 9.694 1.165 2.226 1.00 0.00 H new ATOM 1445 N LEU A 95 8.252 -6.447 -2.712 1.00 0.00 N ATOM 1446 CA LEU A 95 7.681 -7.581 -3.431 1.00 0.00 C ATOM 1447 C LEU A 95 7.684 -8.835 -2.562 1.00 0.00 C ATOM 1448 O LEU A 95 8.729 -9.254 -2.064 1.00 0.00 O ATOM 1449 CB LEU A 95 8.462 -7.838 -4.721 1.00 0.00 C ATOM 1450 CG LEU A 95 7.961 -7.107 -5.966 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.666 -7.626 -7.210 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.453 -7.259 -6.103 1.00 0.00 C ATOM 0 H LEU A 95 9.181 -6.170 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 95 6.648 -7.338 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.502 -7.558 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.448 -8.909 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 95 8.191 -6.047 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.296 -7.094 -8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.740 -7.465 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.468 -8.692 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.114 -6.732 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.200 -8.316 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.964 -6.838 -5.225 1.00 0.00 H new ATOM 1464 N TYR A 96 6.510 -9.429 -2.386 1.00 0.00 N ATOM 1465 CA TYR A 96 6.377 -10.635 -1.577 1.00 0.00 C ATOM 1466 C TYR A 96 6.806 -11.869 -2.365 1.00 0.00 C ATOM 1467 O TYR A 96 5.970 -12.652 -2.816 1.00 0.00 O ATOM 1468 CB TYR A 96 4.933 -10.798 -1.099 1.00 0.00 C ATOM 1469 CG TYR A 96 4.677 -12.104 -0.382 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.658 -12.690 0.409 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.453 -12.753 -0.495 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.428 -13.883 1.065 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.214 -13.946 0.159 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.205 -14.507 0.937 1.00 0.00 C ATOM 1475 OH TYR A 96 3.971 -15.696 1.589 1.00 0.00 O ATOM 0 H TYR A 96 5.636 -9.095 -2.793 1.00 0.00 H new ATOM 0 HA TYR A 96 7.030 -10.534 -0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.684 -9.972 -0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.265 -10.727 -1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.617 -12.204 0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.675 -12.317 -1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.202 -14.325 1.675 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.257 -14.437 0.062 1.00 0.00 H new ATOM 0 HH TYR A 96 3.630 -16.357 0.951 1.00 0.00 H new ATOM 1485 N GLU A 97 8.115 -12.036 -2.525 1.00 0.00 N ATOM 1486 CA GLU A 97 8.656 -13.175 -3.258 1.00 0.00 C ATOM 1487 C GLU A 97 9.004 -14.317 -2.309 1.00 0.00 C ATOM 1488 O GLU A 97 9.638 -15.296 -2.703 1.00 0.00 O ATOM 1489 CB GLU A 97 9.898 -12.757 -4.049 1.00 0.00 C ATOM 1490 CG GLU A 97 9.656 -11.589 -4.990 1.00 0.00 C ATOM 1491 CD GLU A 97 10.555 -11.628 -6.210 1.00 0.00 C ATOM 1492 OE1 GLU A 97 10.446 -12.591 -6.998 1.00 0.00 O ATOM 1493 OE2 GLU A 97 11.368 -10.694 -6.378 1.00 0.00 O ATOM 0 H GLU A 97 8.820 -11.397 -2.157 1.00 0.00 H new ATOM 0 HA GLU A 97 7.892 -13.524 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.691 -12.491 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.255 -13.610 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.614 -11.595 -5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.819 -10.655 -4.453 1.00 0.00 H new ATOM 1500 N LYS A 98 8.584 -14.186 -1.055 1.00 0.00 N ATOM 1501 CA LYS A 98 8.850 -15.206 -0.048 1.00 0.00 C ATOM 1502 C LYS A 98 7.659 -16.148 0.099 1.00 0.00 C ATOM 1503 O LYS A 98 7.199 -16.414 1.209 1.00 0.00 O ATOM 1504 CB LYS A 98 9.165 -14.552 1.299 1.00 0.00 C ATOM 1505 CG LYS A 98 10.597 -14.059 1.416 1.00 0.00 C ATOM 1506 CD LYS A 98 11.569 -15.211 1.612 1.00 0.00 C ATOM 1507 CE LYS A 98 12.986 -14.817 1.223 1.00 0.00 C ATOM 1508 NZ LYS A 98 14.005 -15.560 2.015 1.00 0.00 N ATOM 0 H LYS A 98 8.058 -13.383 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 98 9.713 -15.787 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.487 -13.713 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.970 -15.270 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.866 -13.504 0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.677 -13.367 2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.552 -15.530 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.250 -16.064 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.139 -15.011 0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.119 -13.746 1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.957 -15.264 1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.876 -15.355 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.894 -16.581 1.852 1.00 0.00 H new ATOM 1522 N ALA A 99 7.166 -16.651 -1.028 1.00 0.00 N ATOM 1523 CA ALA A 99 6.031 -17.566 -1.024 1.00 0.00 C ATOM 1524 C ALA A 99 6.315 -18.796 -1.879 1.00 0.00 C ATOM 1525 O ALA A 99 6.426 -18.702 -3.101 1.00 0.00 O ATOM 1526 CB ALA A 99 4.779 -16.857 -1.515 1.00 0.00 C ATOM 0 H ALA A 99 7.535 -16.440 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 99 5.868 -17.898 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.940 -17.553 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.558 -16.014 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.940 -16.495 -2.531 1.00 0.00 H new ATOM 1532 N ASN A 100 6.432 -19.950 -1.229 1.00 0.00 N ATOM 1533 CA ASN A 100 6.705 -21.198 -1.932 1.00 0.00 C ATOM 1534 C ASN A 100 6.165 -22.392 -1.149 1.00 0.00 C ATOM 1535 O ASN A 100 5.819 -22.273 0.027 1.00 0.00 O ATOM 1536 CB ASN A 100 8.209 -21.362 -2.159 1.00 0.00 C ATOM 1537 CG ASN A 100 9.006 -21.223 -0.877 1.00 0.00 C ATOM 1538 OD1 ASN A 100 9.330 -22.214 -0.223 1.00 0.00 O ATOM 1539 ND2 ASN A 100 9.327 -19.987 -0.511 1.00 0.00 N ATOM 0 H ASN A 100 6.342 -20.046 -0.218 1.00 0.00 H new ATOM 0 HA ASN A 100 6.201 -21.160 -2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.403 -22.340 -2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.549 -20.616 -2.877 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.863 -19.831 0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.037 -19.194 -1.084 1.00 0.00 H new ATOM 1546 N THR A 101 6.095 -23.543 -1.810 1.00 0.00 N ATOM 1547 CA THR A 101 5.596 -24.758 -1.177 1.00 0.00 C ATOM 1548 C THR A 101 6.606 -25.894 -1.297 1.00 0.00 C ATOM 1549 O THR A 101 7.336 -26.007 -2.282 1.00 0.00 O ATOM 1550 CB THR A 101 4.260 -25.207 -1.798 1.00 0.00 C ATOM 1551 OG1 THR A 101 4.094 -26.620 -1.634 1.00 0.00 O ATOM 1552 CG2 THR A 101 4.203 -24.853 -3.276 1.00 0.00 C ATOM 0 H THR A 101 6.377 -23.660 -2.783 1.00 0.00 H new ATOM 0 HA THR A 101 5.438 -24.524 -0.124 1.00 0.00 H new ATOM 0 HB THR A 101 3.453 -24.684 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.242 -26.897 -2.030 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.250 -25.180 -3.692 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.300 -23.774 -3.396 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.018 -25.351 -3.801 1.00 0.00 H new ATOM 1560 N PRO A 102 6.650 -26.758 -0.272 1.00 0.00 N ATOM 1561 CA PRO A 102 7.566 -27.902 -0.240 1.00 0.00 C ATOM 1562 C PRO A 102 7.189 -28.975 -1.256 1.00 0.00 C ATOM 1563 O PRO A 102 6.046 -29.428 -1.298 1.00 0.00 O ATOM 1564 CB PRO A 102 7.415 -28.438 1.186 1.00 0.00 C ATOM 1565 CG PRO A 102 6.054 -28.006 1.610 1.00 0.00 C ATOM 1566 CD PRO A 102 5.809 -26.685 0.934 1.00 0.00 C ATOM 0 HA PRO A 102 8.586 -27.615 -0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 102 7.513 -29.523 1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 102 8.183 -28.032 1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 102 5.303 -28.739 1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 102 5.996 -27.906 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 102 4.757 -26.551 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 102 6.093 -25.848 1.572 1.00 0.00 H new ATOM 1574 N GLU A 103 8.158 -29.377 -2.072 1.00 0.00 N ATOM 1575 CA GLU A 103 7.926 -30.397 -3.088 1.00 0.00 C ATOM 1576 C GLU A 103 7.752 -31.772 -2.449 1.00 0.00 C ATOM 1577 O GLU A 103 8.716 -32.523 -2.294 1.00 0.00 O ATOM 1578 CB GLU A 103 9.086 -30.429 -4.085 1.00 0.00 C ATOM 1579 CG GLU A 103 8.923 -29.455 -5.240 1.00 0.00 C ATOM 1580 CD GLU A 103 9.134 -28.013 -4.820 1.00 0.00 C ATOM 1581 OE1 GLU A 103 10.257 -27.677 -4.391 1.00 0.00 O ATOM 1582 OE2 GLU A 103 8.173 -27.220 -4.920 1.00 0.00 O ATOM 0 H GLU A 103 9.110 -29.012 -2.050 1.00 0.00 H new ATOM 0 HA GLU A 103 7.008 -30.143 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.013 -30.203 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.184 -31.439 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.633 -29.708 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.925 -29.564 -5.664 1.00 0.00 H new ATOM 1589 N SER A 104 6.517 -32.094 -2.078 1.00 0.00 N ATOM 1590 CA SER A 104 6.217 -33.376 -1.452 1.00 0.00 C ATOM 1591 C SER A 104 7.014 -33.551 -0.162 1.00 0.00 C ATOM 1592 O SER A 104 7.568 -34.618 0.099 1.00 0.00 O ATOM 1593 CB SER A 104 6.527 -34.524 -2.415 1.00 0.00 C ATOM 1594 OG SER A 104 5.709 -35.650 -2.147 1.00 0.00 O ATOM 0 H SER A 104 5.708 -31.485 -2.200 1.00 0.00 H new ATOM 0 HA SER A 104 5.155 -33.393 -1.208 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.371 -34.193 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.577 -34.804 -2.326 1.00 0.00 H new ATOM 0 HG SER A 104 5.926 -36.369 -2.777 1.00 0.00 H new ATOM 1600 N GLY A 105 7.068 -32.492 0.641 1.00 0.00 N ATOM 1601 CA GLY A 105 7.799 -32.547 1.893 1.00 0.00 C ATOM 1602 C GLY A 105 7.105 -33.406 2.932 1.00 0.00 C ATOM 1603 O GLY A 105 5.959 -33.821 2.760 1.00 0.00 O ATOM 0 H GLY A 105 6.618 -31.597 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.799 -32.941 1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.921 -31.537 2.284 1.00 0.00 H new ATOM 1607 N PRO A 106 7.808 -33.685 4.040 1.00 0.00 N ATOM 1608 CA PRO A 106 7.273 -34.504 5.132 1.00 0.00 C ATOM 1609 C PRO A 106 6.162 -33.793 5.898 1.00 0.00 C ATOM 1610 O PRO A 106 5.606 -34.338 6.851 1.00 0.00 O ATOM 1611 CB PRO A 106 8.488 -34.727 6.036 1.00 0.00 C ATOM 1612 CG PRO A 106 9.383 -33.569 5.761 1.00 0.00 C ATOM 1613 CD PRO A 106 9.180 -33.224 4.311 1.00 0.00 C ATOM 0 HA PRO A 106 6.821 -35.426 4.767 1.00 0.00 H new ATOM 0 HB2 PRO A 106 8.199 -34.763 7.086 1.00 0.00 H new ATOM 0 HB3 PRO A 106 8.982 -35.672 5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 106 9.135 -32.723 6.402 1.00 0.00 H new ATOM 0 HG3 PRO A 106 10.424 -33.824 5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 106 9.287 -32.154 4.134 1.00 0.00 H new ATOM 0 HD3 PRO A 106 9.906 -33.727 3.673 1.00 0.00 H new ATOM 1621 N SER A 107 5.845 -32.574 5.475 1.00 0.00 N ATOM 1622 CA SER A 107 4.802 -31.787 6.124 1.00 0.00 C ATOM 1623 C SER A 107 3.420 -32.352 5.810 1.00 0.00 C ATOM 1624 O SER A 107 2.872 -32.117 4.734 1.00 0.00 O ATOM 1625 CB SER A 107 4.883 -30.326 5.676 1.00 0.00 C ATOM 1626 OG SER A 107 4.820 -30.222 4.264 1.00 0.00 O ATOM 0 H SER A 107 6.295 -32.109 4.686 1.00 0.00 H new ATOM 0 HA SER A 107 4.960 -31.838 7.201 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.066 -29.759 6.122 1.00 0.00 H new ATOM 0 HB3 SER A 107 5.812 -29.883 6.035 1.00 0.00 H new ATOM 0 HG SER A 107 4.134 -30.833 3.921 1.00 0.00 H new ATOM 1632 N SER A 108 2.864 -33.099 6.758 1.00 0.00 N ATOM 1633 CA SER A 108 1.548 -33.701 6.582 1.00 0.00 C ATOM 1634 C SER A 108 0.456 -32.794 7.142 1.00 0.00 C ATOM 1635 O SER A 108 0.580 -32.262 8.244 1.00 0.00 O ATOM 1636 CB SER A 108 1.493 -35.068 7.268 1.00 0.00 C ATOM 1637 OG SER A 108 0.391 -35.828 6.804 1.00 0.00 O ATOM 0 H SER A 108 3.304 -33.302 7.656 1.00 0.00 H new ATOM 0 HA SER A 108 1.375 -33.831 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.419 -35.611 7.078 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.418 -34.934 8.347 1.00 0.00 H new ATOM 0 HG SER A 108 0.379 -36.697 7.256 1.00 0.00 H new ATOM 1643 N GLY A 109 -0.616 -32.624 6.373 1.00 0.00 N ATOM 1644 CA GLY A 109 -1.714 -31.782 6.808 1.00 0.00 C ATOM 1645 C GLY A 109 -1.557 -30.344 6.353 1.00 0.00 C ATOM 1646 O GLY A 109 -2.486 -29.544 6.471 1.00 0.00 O ATOM 0 H GLY A 109 -0.743 -33.055 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.651 -32.182 6.420 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.781 -31.811 7.896 1.00 0.00 H new TER 1650 GLY A 109