USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 768 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 47 LYS NZ :NH3+ 163:sc= 0.286 (180deg=-0.847!) USER MOD Set 1.2: A 50 TYR OH : rot -92:sc= 0.618 USER MOD Set 2.1: A 36 SER OG : rot -68:sc= 0.527 USER MOD Set 2.2: A 39 GLN : amide:sc= 0.579 K(o=-1.2,f=-3.2) USER MOD Set 2.3: A 89 MET CE :methyl -140:sc= -2.29 (180deg=-7.32!) USER MOD Single : A 1 SER N :NH3+ -111:sc= 0.0889 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.19) USER MOD Single : A 7 SER OG : rot 150:sc= -1.73 USER MOD Single : A 8 HIS : no HD1:sc= -0.0741 X(o=-0.074,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 15 ASN : amide:sc=-0.00954 K(o=-0.0095,f=-1.1) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 28 SER OG : rot 150:sc= -1.67 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -75:sc= 0.181 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 46 SER OG : rot 101:sc= 0.557 USER MOD Single : A 56 GLN : amide:sc= -7.78! C(o=-7.8!,f=-7.9!) USER MOD Single : A 64 GLN : amide:sc= -0.0681 X(o=-0.068,f=0) USER MOD Single : A 66 MET CE :methyl -132:sc= -2.99! (180deg=-6.68!) USER MOD Single : A 69 GLN : amide:sc= -3.51 K(o=-3.5,f=-9.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.967 USER MOD Single : A 76 GLN : amide:sc= -0.21 K(o=-0.21,f=-0.93) USER MOD Single : A 77 SER OG : rot 153:sc= 1.05 USER MOD Single : A 78 SER OG : rot 180:sc= -1.3! USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.38) USER MOD Single : A 90 GLN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 72:sc= 0.481 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.148 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.156 27.612 9.850 1.00 0.00 N ATOM 2 CA SER A 1 6.358 26.344 10.597 1.00 0.00 C ATOM 3 C SER A 1 5.102 25.479 10.566 1.00 0.00 C ATOM 4 O SER A 1 4.031 25.938 10.170 1.00 0.00 O ATOM 5 CB SER A 1 6.729 26.684 12.042 1.00 0.00 C ATOM 6 OG SER A 1 8.000 27.306 12.110 1.00 0.00 O ATOM 0 H1 SER A 1 6.735 27.602 8.986 1.00 0.00 H new ATOM 0 H2 SER A 1 5.153 27.708 9.594 1.00 0.00 H new ATOM 0 H3 SER A 1 6.439 28.415 10.447 1.00 0.00 H new ATOM 0 HA SER A 1 7.160 25.775 10.126 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.974 27.345 12.469 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.733 25.775 12.643 1.00 0.00 H new ATOM 0 HG SER A 1 8.213 27.515 13.044 1.00 0.00 H new ATOM 14 N GLY A 2 5.243 24.226 10.983 1.00 0.00 N ATOM 15 CA GLY A 2 4.112 23.317 10.993 1.00 0.00 C ATOM 16 C GLY A 2 3.698 22.892 9.598 1.00 0.00 C ATOM 17 O GLY A 2 2.547 22.519 9.371 1.00 0.00 O ATOM 0 H GLY A 2 6.120 23.823 11.314 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.365 22.433 11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.268 23.797 11.489 1.00 0.00 H new ATOM 21 N PHE A 3 4.639 22.948 8.661 1.00 0.00 N ATOM 22 CA PHE A 3 4.365 22.567 7.281 1.00 0.00 C ATOM 23 C PHE A 3 3.709 21.192 7.216 1.00 0.00 C ATOM 24 O PHE A 3 3.851 20.381 8.131 1.00 0.00 O ATOM 25 CB PHE A 3 5.658 22.566 6.463 1.00 0.00 C ATOM 26 CG PHE A 3 6.850 22.058 7.223 1.00 0.00 C ATOM 27 CD1 PHE A 3 6.860 20.773 7.740 1.00 0.00 C ATOM 28 CD2 PHE A 3 7.959 22.865 7.418 1.00 0.00 C ATOM 29 CE1 PHE A 3 7.955 20.302 8.439 1.00 0.00 C ATOM 30 CE2 PHE A 3 9.057 22.399 8.116 1.00 0.00 C ATOM 31 CZ PHE A 3 9.055 21.116 8.627 1.00 0.00 C ATOM 0 H PHE A 3 5.597 23.253 8.832 1.00 0.00 H new ATOM 0 HA PHE A 3 3.676 23.299 6.859 1.00 0.00 H new ATOM 0 HB2 PHE A 3 5.515 21.951 5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 3 5.862 23.580 6.120 1.00 0.00 H new ATOM 0 HD1 PHE A 3 6.003 20.132 7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.966 23.869 7.020 1.00 0.00 H new ATOM 0 HE1 PHE A 3 7.951 19.298 8.838 1.00 0.00 H new ATOM 0 HE2 PHE A 3 9.916 23.038 8.262 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.912 20.750 9.173 1.00 0.00 H new ATOM 41 N LYS A 4 2.987 20.940 6.130 1.00 0.00 N ATOM 42 CA LYS A 4 2.303 19.667 5.946 1.00 0.00 C ATOM 43 C LYS A 4 3.220 18.640 5.289 1.00 0.00 C ATOM 44 O LYS A 4 4.047 18.982 4.443 1.00 0.00 O ATOM 45 CB LYS A 4 1.046 19.861 5.096 1.00 0.00 C ATOM 46 CG LYS A 4 0.117 18.659 5.104 1.00 0.00 C ATOM 47 CD LYS A 4 -0.542 18.473 6.461 1.00 0.00 C ATOM 48 CE LYS A 4 -1.297 17.156 6.538 1.00 0.00 C ATOM 49 NZ LYS A 4 -2.490 17.145 5.647 1.00 0.00 N ATOM 0 H LYS A 4 2.861 21.601 5.364 1.00 0.00 H new ATOM 0 HA LYS A 4 2.018 19.293 6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.502 20.733 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.341 20.075 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.650 18.786 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.679 17.762 4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.217 18.505 7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.228 19.299 6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.630 16.339 6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.611 16.977 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.976 16.229 5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.139 17.908 5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.189 17.290 4.662 1.00 0.00 H new ATOM 63 N HIS A 5 3.065 17.381 5.683 1.00 0.00 N ATOM 64 CA HIS A 5 3.872 16.300 5.130 1.00 0.00 C ATOM 65 C HIS A 5 3.000 15.316 4.356 1.00 0.00 C ATOM 66 O HIS A 5 2.757 14.197 4.807 1.00 0.00 O ATOM 67 CB HIS A 5 4.619 15.570 6.249 1.00 0.00 C ATOM 68 CG HIS A 5 6.098 15.803 6.235 1.00 0.00 C ATOM 69 ND1 HIS A 5 6.881 15.742 7.369 1.00 0.00 N ATOM 70 CD2 HIS A 5 6.939 16.100 5.215 1.00 0.00 C ATOM 71 CE1 HIS A 5 8.139 15.990 7.047 1.00 0.00 C ATOM 72 NE2 HIS A 5 8.200 16.210 5.747 1.00 0.00 N ATOM 0 H HIS A 5 2.387 17.084 6.384 1.00 0.00 H new ATOM 0 HA HIS A 5 4.598 16.734 4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.218 15.890 7.211 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.428 14.500 6.164 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.668 16.227 4.177 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.974 16.009 7.731 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.047 16.427 5.222 1.00 0.00 H new ATOM 81 N VAL A 6 2.525 15.747 3.192 1.00 0.00 N ATOM 82 CA VAL A 6 1.672 14.910 2.356 1.00 0.00 C ATOM 83 C VAL A 6 2.501 13.948 1.511 1.00 0.00 C ATOM 84 O VAL A 6 3.535 14.325 0.959 1.00 0.00 O ATOM 85 CB VAL A 6 0.790 15.762 1.425 1.00 0.00 C ATOM 86 CG1 VAL A 6 -0.199 14.886 0.672 1.00 0.00 C ATOM 87 CG2 VAL A 6 0.063 16.840 2.214 1.00 0.00 C ATOM 0 H VAL A 6 2.716 16.672 2.806 1.00 0.00 H new ATOM 0 HA VAL A 6 1.033 14.339 3.029 1.00 0.00 H new ATOM 0 HB VAL A 6 1.435 16.251 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.813 15.508 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.345 14.157 0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.839 14.365 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.555 17.431 1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.569 16.374 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.792 17.489 2.700 1.00 0.00 H new ATOM 97 N SER A 7 2.036 12.707 1.407 1.00 0.00 N ATOM 98 CA SER A 7 2.730 11.695 0.618 1.00 0.00 C ATOM 99 C SER A 7 2.219 11.691 -0.818 1.00 0.00 C ATOM 100 O SER A 7 3.000 11.768 -1.766 1.00 0.00 O ATOM 101 CB SER A 7 2.544 10.311 1.243 1.00 0.00 C ATOM 102 OG SER A 7 2.970 10.298 2.594 1.00 0.00 O ATOM 0 H SER A 7 1.183 12.378 1.859 1.00 0.00 H new ATOM 0 HA SER A 7 3.792 11.938 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.495 10.022 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.109 9.573 0.674 1.00 0.00 H new ATOM 0 HG SER A 7 2.444 9.641 3.097 1.00 0.00 H new ATOM 108 N HIS A 8 0.898 11.605 -0.971 1.00 0.00 N ATOM 109 CA HIS A 8 0.263 11.602 -2.290 1.00 0.00 C ATOM 110 C HIS A 8 0.354 10.229 -2.954 1.00 0.00 C ATOM 111 O HIS A 8 -0.657 9.677 -3.387 1.00 0.00 O ATOM 112 CB HIS A 8 0.891 12.663 -3.201 1.00 0.00 C ATOM 113 CG HIS A 8 0.016 13.062 -4.349 1.00 0.00 C ATOM 114 ND1 HIS A 8 0.512 13.441 -5.579 1.00 0.00 N ATOM 115 CD2 HIS A 8 -1.333 13.138 -4.450 1.00 0.00 C ATOM 116 CE1 HIS A 8 -0.493 13.734 -6.386 1.00 0.00 C ATOM 117 NE2 HIS A 8 -1.621 13.558 -5.725 1.00 0.00 N ATOM 0 H HIS A 8 0.242 11.536 -0.193 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.790 11.840 -2.141 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.124 13.547 -2.608 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.836 12.283 -3.590 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.048 12.911 -3.673 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.406 14.062 -7.411 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.557 13.710 -6.101 1.00 0.00 H new ATOM 126 N VAL A 9 1.568 9.692 -3.047 1.00 0.00 N ATOM 127 CA VAL A 9 1.788 8.394 -3.675 1.00 0.00 C ATOM 128 C VAL A 9 1.573 8.480 -5.182 1.00 0.00 C ATOM 129 O VAL A 9 2.503 8.280 -5.964 1.00 0.00 O ATOM 130 CB VAL A 9 0.861 7.317 -3.088 1.00 0.00 C ATOM 131 CG1 VAL A 9 1.185 5.953 -3.675 1.00 0.00 C ATOM 132 CG2 VAL A 9 0.963 7.292 -1.571 1.00 0.00 C ATOM 0 H VAL A 9 2.415 10.137 -2.694 1.00 0.00 H new ATOM 0 HA VAL A 9 2.821 8.110 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.166 7.565 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.518 5.205 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.052 5.981 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.218 5.693 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.300 6.523 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.990 7.071 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.673 8.263 -1.171 1.00 0.00 H new ATOM 142 N GLY A 10 0.345 8.792 -5.583 1.00 0.00 N ATOM 143 CA GLY A 10 0.040 8.929 -6.995 1.00 0.00 C ATOM 144 C GLY A 10 -0.798 7.786 -7.537 1.00 0.00 C ATOM 145 O GLY A 10 -0.743 7.485 -8.730 1.00 0.00 O ATOM 0 H GLY A 10 -0.444 8.952 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.489 9.868 -7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.972 8.987 -7.558 1.00 0.00 H new ATOM 149 N TRP A 11 -1.588 7.157 -6.672 1.00 0.00 N ATOM 150 CA TRP A 11 -2.435 6.046 -7.093 1.00 0.00 C ATOM 151 C TRP A 11 -3.800 6.563 -7.560 1.00 0.00 C ATOM 152 O TRP A 11 -4.247 7.628 -7.136 1.00 0.00 O ATOM 153 CB TRP A 11 -2.570 5.005 -5.956 1.00 0.00 C ATOM 154 CG TRP A 11 -3.860 5.044 -5.176 1.00 0.00 C ATOM 155 CD1 TRP A 11 -4.680 3.982 -4.919 1.00 0.00 C ATOM 156 CD2 TRP A 11 -4.485 6.187 -4.572 1.00 0.00 C ATOM 157 NE1 TRP A 11 -5.769 4.389 -4.191 1.00 0.00 N ATOM 158 CE2 TRP A 11 -5.673 5.737 -3.965 1.00 0.00 C ATOM 159 CE3 TRP A 11 -4.156 7.543 -4.478 1.00 0.00 C ATOM 160 CZ2 TRP A 11 -6.531 6.592 -3.279 1.00 0.00 C ATOM 161 CZ3 TRP A 11 -5.011 8.391 -3.799 1.00 0.00 C ATOM 162 CH2 TRP A 11 -6.185 7.913 -3.206 1.00 0.00 C ATOM 0 H TRP A 11 -1.659 7.395 -5.683 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.967 5.544 -7.940 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.458 4.010 -6.386 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.743 5.146 -5.260 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.497 2.968 -5.242 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.527 3.786 -3.870 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.250 7.921 -4.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.438 6.225 -2.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.769 9.441 -3.725 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.831 8.601 -2.680 1.00 0.00 H new ATOM 173 N ASP A 12 -4.442 5.820 -8.453 1.00 0.00 N ATOM 174 CA ASP A 12 -5.750 6.217 -8.965 1.00 0.00 C ATOM 175 C ASP A 12 -6.870 5.592 -8.132 1.00 0.00 C ATOM 176 O ASP A 12 -6.824 4.404 -7.811 1.00 0.00 O ATOM 177 CB ASP A 12 -5.908 5.808 -10.432 1.00 0.00 C ATOM 178 CG ASP A 12 -4.606 5.882 -11.208 1.00 0.00 C ATOM 179 OD1 ASP A 12 -4.257 6.985 -11.678 1.00 0.00 O ATOM 180 OD2 ASP A 12 -3.937 4.836 -11.347 1.00 0.00 O ATOM 0 H ASP A 12 -4.083 4.946 -8.836 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.819 7.302 -8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.297 4.791 -10.481 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.646 6.455 -10.907 1.00 0.00 H new ATOM 185 N PRO A 13 -7.901 6.381 -7.775 1.00 0.00 N ATOM 186 CA PRO A 13 -9.031 5.889 -6.979 1.00 0.00 C ATOM 187 C PRO A 13 -9.836 4.813 -7.704 1.00 0.00 C ATOM 188 O PRO A 13 -10.195 3.792 -7.118 1.00 0.00 O ATOM 189 CB PRO A 13 -9.906 7.131 -6.761 1.00 0.00 C ATOM 190 CG PRO A 13 -9.047 8.298 -7.109 1.00 0.00 C ATOM 191 CD PRO A 13 -8.044 7.806 -8.110 1.00 0.00 C ATOM 0 HA PRO A 13 -8.686 5.425 -6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.795 7.098 -7.390 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.249 7.192 -5.728 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.645 9.109 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.549 8.691 -6.223 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.395 7.945 -9.133 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.096 8.337 -8.023 1.00 0.00 H new ATOM 199 N GLN A 14 -10.138 5.062 -8.976 1.00 0.00 N ATOM 200 CA GLN A 14 -10.940 4.136 -9.769 1.00 0.00 C ATOM 201 C GLN A 14 -10.073 3.108 -10.490 1.00 0.00 C ATOM 202 O GLN A 14 -10.450 1.942 -10.609 1.00 0.00 O ATOM 203 CB GLN A 14 -11.777 4.909 -10.790 1.00 0.00 C ATOM 204 CG GLN A 14 -12.645 5.992 -10.170 1.00 0.00 C ATOM 205 CD GLN A 14 -13.969 5.459 -9.661 1.00 0.00 C ATOM 206 OE1 GLN A 14 -14.717 4.815 -10.397 1.00 0.00 O ATOM 207 NE2 GLN A 14 -14.267 5.727 -8.395 1.00 0.00 N ATOM 0 H GLN A 14 -9.839 5.897 -9.479 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.596 3.600 -9.083 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.111 5.364 -11.523 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.414 4.209 -11.330 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.105 6.458 -9.346 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.831 6.771 -10.910 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.617 6.264 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.146 5.395 -7.997 1.00 0.00 H new ATOM 216 N ASN A 15 -8.918 3.544 -10.980 1.00 0.00 N ATOM 217 CA ASN A 15 -8.020 2.655 -11.710 1.00 0.00 C ATOM 218 C ASN A 15 -7.103 1.893 -10.757 1.00 0.00 C ATOM 219 O ASN A 15 -6.568 0.841 -11.107 1.00 0.00 O ATOM 220 CB ASN A 15 -7.183 3.452 -12.714 1.00 0.00 C ATOM 221 CG ASN A 15 -7.985 4.539 -13.403 1.00 0.00 C ATOM 222 OD1 ASN A 15 -7.695 5.727 -13.259 1.00 0.00 O ATOM 223 ND2 ASN A 15 -9.002 4.138 -14.157 1.00 0.00 N ATOM 0 H ASN A 15 -8.582 4.502 -10.886 1.00 0.00 H new ATOM 0 HA ASN A 15 -8.631 1.931 -12.248 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.334 3.902 -12.199 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.777 2.773 -13.464 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.578 4.825 -14.644 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.208 3.143 -14.249 1.00 0.00 H new ATOM 230 N GLY A 16 -6.932 2.421 -9.549 1.00 0.00 N ATOM 231 CA GLY A 16 -6.085 1.766 -8.569 1.00 0.00 C ATOM 232 C GLY A 16 -4.640 2.217 -8.655 1.00 0.00 C ATOM 233 O GLY A 16 -4.359 3.358 -9.024 1.00 0.00 O ATOM 0 H GLY A 16 -7.364 3.289 -9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.467 1.971 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.135 0.687 -8.714 1.00 0.00 H new ATOM 237 N PHE A 17 -3.721 1.321 -8.309 1.00 0.00 N ATOM 238 CA PHE A 17 -2.297 1.632 -8.344 1.00 0.00 C ATOM 239 C PHE A 17 -1.739 1.483 -9.755 1.00 0.00 C ATOM 240 O PHE A 17 -2.067 0.533 -10.465 1.00 0.00 O ATOM 241 CB PHE A 17 -1.534 0.717 -7.385 1.00 0.00 C ATOM 242 CG PHE A 17 -0.814 1.454 -6.293 1.00 0.00 C ATOM 243 CD1 PHE A 17 0.212 2.335 -6.592 1.00 0.00 C ATOM 244 CD2 PHE A 17 -1.165 1.264 -4.966 1.00 0.00 C ATOM 245 CE1 PHE A 17 0.876 3.013 -5.588 1.00 0.00 C ATOM 246 CE2 PHE A 17 -0.506 1.939 -3.957 1.00 0.00 C ATOM 247 CZ PHE A 17 0.516 2.815 -4.268 1.00 0.00 C ATOM 0 H PHE A 17 -3.938 0.373 -8.001 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.170 2.668 -8.031 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.233 0.012 -6.936 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.812 0.131 -7.953 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.496 2.494 -7.622 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.963 0.580 -4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.675 3.697 -5.834 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.789 1.782 -2.927 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.033 3.344 -3.481 1.00 0.00 H new ATOM 257 N ASP A 18 -0.892 2.426 -10.153 1.00 0.00 N ATOM 258 CA ASP A 18 -0.284 2.395 -11.478 1.00 0.00 C ATOM 259 C ASP A 18 0.864 1.393 -11.522 1.00 0.00 C ATOM 260 O ASP A 18 2.027 1.771 -11.665 1.00 0.00 O ATOM 261 CB ASP A 18 0.226 3.785 -11.861 1.00 0.00 C ATOM 262 CG ASP A 18 0.005 4.099 -13.328 1.00 0.00 C ATOM 263 OD1 ASP A 18 -0.227 3.153 -14.110 1.00 0.00 O ATOM 264 OD2 ASP A 18 0.067 5.291 -13.696 1.00 0.00 O ATOM 0 H ASP A 18 -0.611 3.220 -9.578 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.045 2.085 -12.194 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.279 4.535 -11.252 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.290 3.854 -11.634 1.00 0.00 H new ATOM 269 N VAL A 19 0.529 0.114 -11.401 1.00 0.00 N ATOM 270 CA VAL A 19 1.530 -0.945 -11.428 1.00 0.00 C ATOM 271 C VAL A 19 2.434 -0.819 -12.649 1.00 0.00 C ATOM 272 O VAL A 19 3.569 -1.295 -12.646 1.00 0.00 O ATOM 273 CB VAL A 19 0.877 -2.338 -11.420 1.00 0.00 C ATOM 274 CG1 VAL A 19 0.515 -2.742 -9.999 1.00 0.00 C ATOM 275 CG2 VAL A 19 -0.348 -2.360 -12.321 1.00 0.00 C ATOM 0 H VAL A 19 -0.429 -0.215 -11.283 1.00 0.00 H new ATOM 0 HA VAL A 19 2.132 -0.833 -10.526 1.00 0.00 H new ATOM 0 HB VAL A 19 1.593 -3.062 -11.809 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.054 -3.730 -10.008 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.417 -2.768 -9.387 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.185 -2.018 -9.582 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.796 -3.354 -12.302 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.074 -1.628 -11.966 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.054 -2.114 -13.341 1.00 0.00 H new ATOM 285 N ASN A 20 1.930 -0.160 -13.686 1.00 0.00 N ATOM 286 CA ASN A 20 2.696 0.039 -14.908 1.00 0.00 C ATOM 287 C ASN A 20 3.798 1.077 -14.704 1.00 0.00 C ATOM 288 O ASN A 20 4.763 1.125 -15.466 1.00 0.00 O ATOM 289 CB ASN A 20 1.772 0.481 -16.045 1.00 0.00 C ATOM 290 CG ASN A 20 1.471 -0.642 -17.017 1.00 0.00 C ATOM 291 OD1 ASN A 20 2.022 -0.690 -18.117 1.00 0.00 O ATOM 292 ND2 ASN A 20 0.590 -1.551 -16.617 1.00 0.00 N ATOM 0 H ASN A 20 0.994 0.245 -13.704 1.00 0.00 H new ATOM 0 HA ASN A 20 3.162 -0.911 -15.171 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.838 0.854 -15.626 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.233 1.309 -16.583 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.345 -2.329 -17.230 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.158 -1.472 -15.697 1.00 0.00 H new ATOM 299 N ASN A 21 3.650 1.910 -13.675 1.00 0.00 N ATOM 300 CA ASN A 21 4.632 2.951 -13.391 1.00 0.00 C ATOM 301 C ASN A 21 5.058 2.937 -11.925 1.00 0.00 C ATOM 302 O ASN A 21 5.575 3.930 -11.413 1.00 0.00 O ATOM 303 CB ASN A 21 4.062 4.325 -13.752 1.00 0.00 C ATOM 304 CG ASN A 21 3.690 4.431 -15.217 1.00 0.00 C ATOM 305 OD1 ASN A 21 2.684 3.874 -15.656 1.00 0.00 O ATOM 306 ND2 ASN A 21 4.501 5.150 -15.984 1.00 0.00 N ATOM 0 H ASN A 21 2.862 1.883 -13.027 1.00 0.00 H new ATOM 0 HA ASN A 21 5.513 2.750 -14.000 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.181 4.521 -13.141 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.795 5.094 -13.510 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.300 5.257 -16.978 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.325 5.595 -15.579 1.00 0.00 H new ATOM 313 N LEU A 22 4.845 1.810 -11.252 1.00 0.00 N ATOM 314 CA LEU A 22 5.223 1.679 -9.848 1.00 0.00 C ATOM 315 C LEU A 22 6.738 1.635 -9.688 1.00 0.00 C ATOM 316 O LEU A 22 7.465 1.343 -10.638 1.00 0.00 O ATOM 317 CB LEU A 22 4.599 0.428 -9.230 1.00 0.00 C ATOM 318 CG LEU A 22 3.143 0.584 -8.789 1.00 0.00 C ATOM 319 CD1 LEU A 22 2.639 -0.708 -8.165 1.00 0.00 C ATOM 320 CD2 LEU A 22 3.003 1.739 -7.811 1.00 0.00 C ATOM 0 H LEU A 22 4.414 0.977 -11.654 1.00 0.00 H new ATOM 0 HA LEU A 22 4.844 2.557 -9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.659 -0.385 -9.953 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.195 0.131 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 22 2.536 0.804 -9.667 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.601 -0.582 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.705 -1.515 -8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.249 -0.955 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.960 1.835 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.620 1.549 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.328 2.663 -8.290 1.00 0.00 H new ATOM 332 N ASP A 23 7.208 1.940 -8.483 1.00 0.00 N ATOM 333 CA ASP A 23 8.639 1.944 -8.199 1.00 0.00 C ATOM 334 C ASP A 23 9.134 0.542 -7.852 1.00 0.00 C ATOM 335 O ASP A 23 8.451 -0.212 -7.159 1.00 0.00 O ATOM 336 CB ASP A 23 8.948 2.901 -7.046 1.00 0.00 C ATOM 337 CG ASP A 23 10.435 3.152 -6.885 1.00 0.00 C ATOM 338 OD1 ASP A 23 11.112 2.317 -6.248 1.00 0.00 O ATOM 339 OD2 ASP A 23 10.922 4.183 -7.395 1.00 0.00 O ATOM 0 H ASP A 23 6.619 2.188 -7.688 1.00 0.00 H new ATOM 0 HA ASP A 23 9.158 2.281 -9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.439 3.849 -7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.549 2.489 -6.119 1.00 0.00 H new ATOM 344 N PRO A 24 10.339 0.175 -8.326 1.00 0.00 N ATOM 345 CA PRO A 24 10.924 -1.145 -8.062 1.00 0.00 C ATOM 346 C PRO A 24 11.030 -1.449 -6.572 1.00 0.00 C ATOM 347 O PRO A 24 11.157 -2.607 -6.173 1.00 0.00 O ATOM 348 CB PRO A 24 12.320 -1.054 -8.685 1.00 0.00 C ATOM 349 CG PRO A 24 12.219 0.030 -9.701 1.00 0.00 C ATOM 350 CD PRO A 24 11.220 1.012 -9.161 1.00 0.00 C ATOM 0 HA PRO A 24 10.310 -1.946 -8.474 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.073 -0.821 -7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.610 -1.999 -9.144 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.186 0.506 -9.861 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.895 -0.366 -10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.702 1.796 -8.577 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.667 1.505 -9.961 1.00 0.00 H new ATOM 358 N ASP A 25 10.983 -0.404 -5.752 1.00 0.00 N ATOM 359 CA ASP A 25 11.087 -0.563 -4.307 1.00 0.00 C ATOM 360 C ASP A 25 9.747 -0.964 -3.699 1.00 0.00 C ATOM 361 O ASP A 25 9.644 -1.986 -3.021 1.00 0.00 O ATOM 362 CB ASP A 25 11.580 0.735 -3.666 1.00 0.00 C ATOM 363 CG ASP A 25 13.082 0.903 -3.781 1.00 0.00 C ATOM 364 OD1 ASP A 25 13.779 -0.112 -3.993 1.00 0.00 O ATOM 365 OD2 ASP A 25 13.563 2.049 -3.658 1.00 0.00 O ATOM 0 H ASP A 25 10.874 0.561 -6.064 1.00 0.00 H new ATOM 0 HA ASP A 25 11.805 -1.358 -4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.085 1.582 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.295 0.748 -2.614 1.00 0.00 H new ATOM 370 N LEU A 26 8.725 -0.147 -3.934 1.00 0.00 N ATOM 371 CA LEU A 26 7.398 -0.416 -3.393 1.00 0.00 C ATOM 372 C LEU A 26 6.758 -1.620 -4.074 1.00 0.00 C ATOM 373 O LEU A 26 6.135 -2.454 -3.418 1.00 0.00 O ATOM 374 CB LEU A 26 6.498 0.811 -3.543 1.00 0.00 C ATOM 375 CG LEU A 26 6.148 1.193 -4.982 1.00 0.00 C ATOM 376 CD1 LEU A 26 4.831 0.555 -5.399 1.00 0.00 C ATOM 377 CD2 LEU A 26 6.083 2.704 -5.119 1.00 0.00 C ATOM 0 H LEU A 26 8.790 0.704 -4.493 1.00 0.00 H new ATOM 0 HA LEU A 26 7.512 -0.644 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.572 0.631 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.988 1.661 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 26 6.929 0.819 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.599 0.838 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.915 -0.530 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.035 0.899 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.833 2.966 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.319 3.098 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.050 3.135 -4.860 1.00 0.00 H new ATOM 389 N ARG A 27 6.905 -1.707 -5.391 1.00 0.00 N ATOM 390 CA ARG A 27 6.345 -2.824 -6.139 1.00 0.00 C ATOM 391 C ARG A 27 6.833 -4.144 -5.554 1.00 0.00 C ATOM 392 O ARG A 27 6.076 -5.109 -5.452 1.00 0.00 O ATOM 393 CB ARG A 27 6.725 -2.726 -7.617 1.00 0.00 C ATOM 394 CG ARG A 27 8.212 -2.887 -7.879 1.00 0.00 C ATOM 395 CD ARG A 27 8.582 -4.342 -8.118 1.00 0.00 C ATOM 396 NE ARG A 27 9.516 -4.494 -9.230 1.00 0.00 N ATOM 397 CZ ARG A 27 9.204 -4.233 -10.495 1.00 0.00 C ATOM 398 NH1 ARG A 27 7.986 -3.808 -10.806 1.00 0.00 N ATOM 399 NH2 ARG A 27 10.108 -4.395 -11.451 1.00 0.00 N ATOM 0 H ARG A 27 7.404 -1.022 -5.959 1.00 0.00 H new ATOM 0 HA ARG A 27 5.259 -2.784 -6.060 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.183 -3.490 -8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.400 -1.760 -8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.496 -2.291 -8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.776 -2.502 -7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.026 -4.756 -7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.679 -4.917 -8.322 1.00 0.00 H new ATOM 0 HE ARG A 27 10.461 -4.819 -9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.288 -3.681 -10.074 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.748 -3.608 -11.778 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.046 -4.721 -11.216 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.866 -4.194 -12.421 1.00 0.00 H new ATOM 413 N SER A 28 8.100 -4.169 -5.152 1.00 0.00 N ATOM 414 CA SER A 28 8.687 -5.354 -4.542 1.00 0.00 C ATOM 415 C SER A 28 7.982 -5.684 -3.230 1.00 0.00 C ATOM 416 O SER A 28 7.717 -6.848 -2.930 1.00 0.00 O ATOM 417 CB SER A 28 10.182 -5.139 -4.296 1.00 0.00 C ATOM 418 OG SER A 28 10.796 -6.319 -3.809 1.00 0.00 O ATOM 0 H SER A 28 8.740 -3.379 -5.239 1.00 0.00 H new ATOM 0 HA SER A 28 8.560 -6.193 -5.226 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.665 -4.831 -5.223 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.323 -4.330 -3.579 1.00 0.00 H new ATOM 0 HG SER A 28 11.731 -6.345 -4.100 1.00 0.00 H new ATOM 424 N LEU A 29 7.673 -4.647 -2.456 1.00 0.00 N ATOM 425 CA LEU A 29 6.982 -4.820 -1.184 1.00 0.00 C ATOM 426 C LEU A 29 5.658 -5.548 -1.393 1.00 0.00 C ATOM 427 O LEU A 29 5.381 -6.555 -0.740 1.00 0.00 O ATOM 428 CB LEU A 29 6.748 -3.455 -0.520 1.00 0.00 C ATOM 429 CG LEU A 29 5.679 -3.425 0.578 1.00 0.00 C ATOM 430 CD1 LEU A 29 6.184 -4.121 1.830 1.00 0.00 C ATOM 431 CD2 LEU A 29 5.271 -1.993 0.887 1.00 0.00 C ATOM 0 H LEU A 29 7.891 -3.678 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 29 7.605 -5.425 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.691 -3.113 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.469 -2.739 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 29 4.800 -3.960 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.413 -4.091 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.424 -5.159 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.078 -3.614 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.511 -1.992 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.142 -1.432 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.867 -1.528 -0.012 1.00 0.00 H new ATOM 443 N PHE A 30 4.845 -5.035 -2.310 1.00 0.00 N ATOM 444 CA PHE A 30 3.557 -5.645 -2.613 1.00 0.00 C ATOM 445 C PHE A 30 3.731 -7.122 -2.948 1.00 0.00 C ATOM 446 O PHE A 30 3.015 -7.977 -2.425 1.00 0.00 O ATOM 447 CB PHE A 30 2.885 -4.918 -3.779 1.00 0.00 C ATOM 448 CG PHE A 30 2.576 -3.475 -3.493 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.237 -3.064 -2.213 1.00 0.00 C ATOM 450 CD2 PHE A 30 2.621 -2.530 -4.505 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.951 -1.739 -1.949 1.00 0.00 C ATOM 452 CE2 PHE A 30 2.336 -1.203 -4.247 1.00 0.00 C ATOM 453 CZ PHE A 30 2.001 -0.807 -2.967 1.00 0.00 C ATOM 0 H PHE A 30 5.055 -4.199 -2.855 1.00 0.00 H new ATOM 0 HA PHE A 30 2.921 -5.560 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.533 -4.975 -4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.960 -5.435 -4.033 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.196 -3.788 -1.413 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.882 -2.834 -5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.688 -1.432 -0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.375 -0.476 -5.045 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.778 0.230 -2.762 1.00 0.00 H new ATOM 463 N SER A 31 4.694 -7.415 -3.815 1.00 0.00 N ATOM 464 CA SER A 31 4.974 -8.790 -4.212 1.00 0.00 C ATOM 465 C SER A 31 5.402 -9.625 -3.010 1.00 0.00 C ATOM 466 O SER A 31 4.853 -10.698 -2.760 1.00 0.00 O ATOM 467 CB SER A 31 6.065 -8.822 -5.284 1.00 0.00 C ATOM 468 OG SER A 31 5.612 -8.235 -6.492 1.00 0.00 O ATOM 0 H SER A 31 5.294 -6.718 -4.257 1.00 0.00 H new ATOM 0 HA SER A 31 4.059 -9.217 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.946 -8.290 -4.926 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.368 -9.853 -5.468 1.00 0.00 H new ATOM 0 HG SER A 31 6.328 -8.267 -7.160 1.00 0.00 H new ATOM 474 N ARG A 32 6.385 -9.124 -2.268 1.00 0.00 N ATOM 475 CA ARG A 32 6.885 -9.822 -1.089 1.00 0.00 C ATOM 476 C ARG A 32 5.760 -10.082 -0.094 1.00 0.00 C ATOM 477 O ARG A 32 5.769 -11.083 0.623 1.00 0.00 O ATOM 478 CB ARG A 32 7.993 -9.007 -0.420 1.00 0.00 C ATOM 479 CG ARG A 32 9.361 -9.214 -1.046 1.00 0.00 C ATOM 480 CD ARG A 32 10.173 -7.929 -1.050 1.00 0.00 C ATOM 481 NE ARG A 32 11.606 -8.191 -0.964 1.00 0.00 N ATOM 482 CZ ARG A 32 12.353 -8.544 -2.004 1.00 0.00 C ATOM 483 NH1 ARG A 32 11.803 -8.672 -3.204 1.00 0.00 N ATOM 484 NH2 ARG A 32 13.651 -8.768 -1.847 1.00 0.00 N ATOM 0 H ARG A 32 6.851 -8.238 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 32 7.292 -10.781 -1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.736 -7.949 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.042 -9.273 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.901 -9.985 -0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.244 -9.574 -2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.960 -7.368 -1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.867 -7.304 -0.211 1.00 0.00 H new ATOM 0 HE ARG A 32 12.059 -8.098 -0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.806 -8.499 -3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.377 -8.943 -4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.078 -8.669 -0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.222 -9.039 -2.647 1.00 0.00 H new ATOM 498 N ALA A 33 4.790 -9.174 -0.059 1.00 0.00 N ATOM 499 CA ALA A 33 3.651 -9.305 0.843 1.00 0.00 C ATOM 500 C ALA A 33 2.586 -10.240 0.268 1.00 0.00 C ATOM 501 O ALA A 33 1.653 -10.631 0.968 1.00 0.00 O ATOM 502 CB ALA A 33 3.053 -7.938 1.137 1.00 0.00 C ATOM 0 H ALA A 33 4.770 -8.339 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 33 4.010 -9.744 1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.204 -8.050 1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.807 -7.304 1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.719 -7.479 0.206 1.00 0.00 H new ATOM 508 N GLY A 34 2.729 -10.600 -1.008 1.00 0.00 N ATOM 509 CA GLY A 34 1.768 -11.485 -1.640 1.00 0.00 C ATOM 510 C GLY A 34 0.668 -10.734 -2.368 1.00 0.00 C ATOM 511 O GLY A 34 -0.349 -11.320 -2.738 1.00 0.00 O ATOM 0 H GLY A 34 3.492 -10.294 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.287 -12.134 -2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.322 -12.130 -0.883 1.00 0.00 H new ATOM 515 N ILE A 35 0.868 -9.435 -2.573 1.00 0.00 N ATOM 516 CA ILE A 35 -0.118 -8.610 -3.259 1.00 0.00 C ATOM 517 C ILE A 35 0.085 -8.646 -4.771 1.00 0.00 C ATOM 518 O ILE A 35 1.106 -8.184 -5.280 1.00 0.00 O ATOM 519 CB ILE A 35 -0.059 -7.149 -2.779 1.00 0.00 C ATOM 520 CG1 ILE A 35 -0.221 -7.082 -1.260 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.133 -6.322 -3.467 1.00 0.00 C ATOM 522 CD1 ILE A 35 -0.039 -5.691 -0.695 1.00 0.00 C ATOM 0 H ILE A 35 1.704 -8.933 -2.274 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.097 -9.025 -3.019 1.00 0.00 H new ATOM 0 HB ILE A 35 0.915 -6.735 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.212 -7.448 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.503 -7.752 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.078 -5.291 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.977 -6.348 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.115 -6.733 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.168 -5.718 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.962 -5.330 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.780 -5.021 -1.132 1.00 0.00 H new ATOM 534 N SER A 36 -0.896 -9.191 -5.483 1.00 0.00 N ATOM 535 CA SER A 36 -0.828 -9.275 -6.938 1.00 0.00 C ATOM 536 C SER A 36 -1.374 -8.003 -7.578 1.00 0.00 C ATOM 537 O SER A 36 -2.105 -7.243 -6.943 1.00 0.00 O ATOM 538 CB SER A 36 -1.616 -10.488 -7.438 1.00 0.00 C ATOM 539 OG SER A 36 -2.908 -10.533 -6.858 1.00 0.00 O ATOM 0 H SER A 36 -1.747 -9.581 -5.077 1.00 0.00 H new ATOM 0 HA SER A 36 0.218 -9.388 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.703 -10.446 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.074 -11.402 -7.196 1.00 0.00 H new ATOM 0 HG SER A 36 -2.830 -10.719 -5.899 1.00 0.00 H new ATOM 545 N GLU A 37 -1.018 -7.776 -8.839 1.00 0.00 N ATOM 546 CA GLU A 37 -1.474 -6.592 -9.557 1.00 0.00 C ATOM 547 C GLU A 37 -2.991 -6.463 -9.481 1.00 0.00 C ATOM 548 O GLU A 37 -3.529 -5.356 -9.465 1.00 0.00 O ATOM 549 CB GLU A 37 -1.026 -6.648 -11.019 1.00 0.00 C ATOM 550 CG GLU A 37 0.060 -5.641 -11.358 1.00 0.00 C ATOM 551 CD GLU A 37 1.066 -6.181 -12.354 1.00 0.00 C ATOM 552 OE1 GLU A 37 0.641 -6.673 -13.421 1.00 0.00 O ATOM 553 OE2 GLU A 37 2.281 -6.113 -12.069 1.00 0.00 O ATOM 0 H GLU A 37 -0.417 -8.395 -9.383 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.028 -5.717 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.663 -7.651 -11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.888 -6.471 -11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.399 -4.740 -11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.579 -5.351 -10.444 1.00 0.00 H new ATOM 560 N ALA A 38 -3.676 -7.601 -9.424 1.00 0.00 N ATOM 561 CA ALA A 38 -5.131 -7.611 -9.333 1.00 0.00 C ATOM 562 C ALA A 38 -5.601 -6.781 -8.143 1.00 0.00 C ATOM 563 O ALA A 38 -6.562 -6.017 -8.243 1.00 0.00 O ATOM 564 CB ALA A 38 -5.644 -9.038 -9.221 1.00 0.00 C ATOM 0 H ALA A 38 -3.247 -8.526 -9.439 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.536 -7.166 -10.242 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.732 -9.029 -9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.339 -9.604 -10.101 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.229 -9.505 -8.328 1.00 0.00 H new ATOM 570 N GLN A 39 -4.909 -6.932 -7.019 1.00 0.00 N ATOM 571 CA GLN A 39 -5.243 -6.195 -5.808 1.00 0.00 C ATOM 572 C GLN A 39 -4.731 -4.760 -5.890 1.00 0.00 C ATOM 573 O GLN A 39 -5.334 -3.843 -5.335 1.00 0.00 O ATOM 574 CB GLN A 39 -4.649 -6.894 -4.584 1.00 0.00 C ATOM 575 CG GLN A 39 -5.165 -8.310 -4.385 1.00 0.00 C ATOM 576 CD GLN A 39 -4.147 -9.215 -3.719 1.00 0.00 C ATOM 577 OE1 GLN A 39 -3.692 -10.196 -4.308 1.00 0.00 O ATOM 578 NE2 GLN A 39 -3.783 -8.889 -2.484 1.00 0.00 N ATOM 0 H GLN A 39 -4.111 -7.560 -6.922 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.328 -6.169 -5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.564 -6.922 -4.682 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.874 -6.305 -3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.071 -8.281 -3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.442 -8.731 -5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.186 -8.067 -2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.101 -9.461 -1.986 1.00 0.00 H new ATOM 587 N LEU A 40 -3.626 -4.570 -6.604 1.00 0.00 N ATOM 588 CA LEU A 40 -3.045 -3.243 -6.769 1.00 0.00 C ATOM 589 C LEU A 40 -3.934 -2.376 -7.652 1.00 0.00 C ATOM 590 O LEU A 40 -3.941 -1.151 -7.535 1.00 0.00 O ATOM 591 CB LEU A 40 -1.646 -3.343 -7.382 1.00 0.00 C ATOM 592 CG LEU A 40 -0.629 -4.130 -6.553 1.00 0.00 C ATOM 593 CD1 LEU A 40 0.639 -4.373 -7.358 1.00 0.00 C ATOM 594 CD2 LEU A 40 -0.310 -3.393 -5.262 1.00 0.00 C ATOM 0 H LEU A 40 -3.116 -5.317 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.968 -2.781 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.729 -3.808 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.262 -2.335 -7.538 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.065 -5.096 -6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.352 -4.934 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.397 -4.942 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.078 -3.417 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.415 -3.967 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.106 -2.413 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.222 -3.270 -4.679 1.00 0.00 H new ATOM 606 N THR A 41 -4.696 -3.022 -8.527 1.00 0.00 N ATOM 607 CA THR A 41 -5.594 -2.311 -9.428 1.00 0.00 C ATOM 608 C THR A 41 -7.020 -2.256 -8.876 1.00 0.00 C ATOM 609 O THR A 41 -7.896 -1.630 -9.473 1.00 0.00 O ATOM 610 CB THR A 41 -5.591 -2.979 -10.803 1.00 0.00 C ATOM 611 OG1 THR A 41 -6.127 -4.288 -10.726 1.00 0.00 O ATOM 612 CG2 THR A 41 -4.209 -3.081 -11.411 1.00 0.00 C ATOM 0 H THR A 41 -4.710 -4.037 -8.631 1.00 0.00 H new ATOM 0 HA THR A 41 -5.232 -1.287 -9.520 1.00 0.00 H new ATOM 0 HB THR A 41 -6.205 -2.341 -11.439 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.468 -4.888 -10.317 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.275 -3.564 -12.386 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.789 -2.082 -11.529 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.566 -3.670 -10.757 1.00 0.00 H new ATOM 620 N ASP A 42 -7.249 -2.895 -7.728 1.00 0.00 N ATOM 621 CA ASP A 42 -8.567 -2.893 -7.107 1.00 0.00 C ATOM 622 C ASP A 42 -8.783 -1.610 -6.309 1.00 0.00 C ATOM 623 O ASP A 42 -8.084 -1.352 -5.331 1.00 0.00 O ATOM 624 CB ASP A 42 -8.724 -4.109 -6.193 1.00 0.00 C ATOM 625 CG ASP A 42 -10.167 -4.556 -6.065 1.00 0.00 C ATOM 626 OD1 ASP A 42 -11.054 -3.680 -5.987 1.00 0.00 O ATOM 627 OD2 ASP A 42 -10.410 -5.781 -6.041 1.00 0.00 O ATOM 0 H ASP A 42 -6.540 -3.418 -7.214 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.317 -2.943 -7.896 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.125 -4.932 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.332 -3.870 -5.204 1.00 0.00 H new ATOM 632 N ALA A 43 -9.754 -0.811 -6.736 1.00 0.00 N ATOM 633 CA ALA A 43 -10.049 0.459 -6.079 1.00 0.00 C ATOM 634 C ALA A 43 -10.135 0.300 -4.563 1.00 0.00 C ATOM 635 O ALA A 43 -9.745 1.196 -3.814 1.00 0.00 O ATOM 636 CB ALA A 43 -11.344 1.042 -6.622 1.00 0.00 C ATOM 0 H ALA A 43 -10.352 -1.020 -7.536 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.229 1.145 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.553 1.989 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.246 1.210 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.162 0.346 -6.437 1.00 0.00 H new ATOM 642 N GLU A 44 -10.648 -0.841 -4.118 1.00 0.00 N ATOM 643 CA GLU A 44 -10.793 -1.108 -2.692 1.00 0.00 C ATOM 644 C GLU A 44 -9.440 -1.367 -2.037 1.00 0.00 C ATOM 645 O GLU A 44 -9.042 -0.661 -1.109 1.00 0.00 O ATOM 646 CB GLU A 44 -11.713 -2.310 -2.472 1.00 0.00 C ATOM 647 CG GLU A 44 -11.903 -2.669 -1.008 1.00 0.00 C ATOM 648 CD GLU A 44 -12.689 -3.951 -0.818 1.00 0.00 C ATOM 649 OE1 GLU A 44 -12.723 -4.773 -1.758 1.00 0.00 O ATOM 650 OE2 GLU A 44 -13.272 -4.134 0.272 1.00 0.00 O ATOM 0 H GLU A 44 -10.970 -1.596 -4.724 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.233 -0.225 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.686 -2.098 -2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.304 -3.172 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.927 -2.772 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.419 -1.853 -0.502 1.00 0.00 H new ATOM 657 N THR A 45 -8.739 -2.386 -2.522 1.00 0.00 N ATOM 658 CA THR A 45 -7.439 -2.752 -1.973 1.00 0.00 C ATOM 659 C THR A 45 -6.399 -1.669 -2.242 1.00 0.00 C ATOM 660 O THR A 45 -5.498 -1.449 -1.436 1.00 0.00 O ATOM 661 CB THR A 45 -6.969 -4.080 -2.570 1.00 0.00 C ATOM 662 OG1 THR A 45 -8.065 -4.806 -3.099 1.00 0.00 O ATOM 663 CG2 THR A 45 -6.262 -4.972 -1.574 1.00 0.00 C ATOM 0 H THR A 45 -9.050 -2.974 -3.295 1.00 0.00 H new ATOM 0 HA THR A 45 -7.550 -2.858 -0.894 1.00 0.00 H new ATOM 0 HB THR A 45 -6.259 -3.809 -3.352 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.745 -5.651 -3.478 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.957 -5.896 -2.066 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.382 -4.459 -1.187 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.937 -5.205 -0.751 1.00 0.00 H new ATOM 671 N SER A 46 -6.523 -0.992 -3.376 1.00 0.00 N ATOM 672 CA SER A 46 -5.583 0.064 -3.728 1.00 0.00 C ATOM 673 C SER A 46 -5.569 1.148 -2.658 1.00 0.00 C ATOM 674 O SER A 46 -4.510 1.648 -2.282 1.00 0.00 O ATOM 675 CB SER A 46 -5.945 0.675 -5.084 1.00 0.00 C ATOM 676 OG SER A 46 -6.914 1.699 -4.941 1.00 0.00 O ATOM 0 H SER A 46 -7.259 -1.153 -4.063 1.00 0.00 H new ATOM 0 HA SER A 46 -4.588 -0.376 -3.794 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.049 1.081 -5.554 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.328 -0.102 -5.746 1.00 0.00 H new ATOM 0 HG SER A 46 -6.474 2.574 -4.984 1.00 0.00 H new ATOM 682 N LYS A 47 -6.755 1.503 -2.171 1.00 0.00 N ATOM 683 CA LYS A 47 -6.898 2.532 -1.148 1.00 0.00 C ATOM 684 C LYS A 47 -6.184 2.146 0.145 1.00 0.00 C ATOM 685 O LYS A 47 -5.381 2.914 0.673 1.00 0.00 O ATOM 686 CB LYS A 47 -8.377 2.791 -0.874 1.00 0.00 C ATOM 687 CG LYS A 47 -8.643 4.124 -0.219 1.00 0.00 C ATOM 688 CD LYS A 47 -8.071 4.150 1.170 1.00 0.00 C ATOM 689 CE LYS A 47 -8.665 5.273 2.001 1.00 0.00 C ATOM 690 NZ LYS A 47 -7.616 6.086 2.676 1.00 0.00 N ATOM 0 H LYS A 47 -7.637 1.089 -2.472 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.432 3.443 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.927 2.741 -1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.765 1.997 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.203 4.923 -0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.716 4.309 -0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.261 3.195 1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.989 4.270 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.267 5.918 1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.336 4.853 2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.024 6.990 2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.253 5.568 3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.837 6.268 2.011 1.00 0.00 H new ATOM 704 N LEU A 48 -6.494 0.965 0.666 1.00 0.00 N ATOM 705 CA LEU A 48 -5.881 0.506 1.907 1.00 0.00 C ATOM 706 C LEU A 48 -4.379 0.300 1.729 1.00 0.00 C ATOM 707 O LEU A 48 -3.599 0.518 2.656 1.00 0.00 O ATOM 708 CB LEU A 48 -6.543 -0.790 2.389 1.00 0.00 C ATOM 709 CG LEU A 48 -6.069 -2.069 1.695 1.00 0.00 C ATOM 710 CD1 LEU A 48 -4.751 -2.543 2.288 1.00 0.00 C ATOM 711 CD2 LEU A 48 -7.126 -3.156 1.803 1.00 0.00 C ATOM 0 H LEU A 48 -7.160 0.312 0.253 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.034 1.276 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.366 -0.891 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.620 -0.700 2.251 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.909 -1.849 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.431 -3.453 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.994 -1.770 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.882 -2.746 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.772 -4.058 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.318 -3.374 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.047 -2.816 1.329 1.00 0.00 H new ATOM 723 N ILE A 49 -3.981 -0.124 0.533 1.00 0.00 N ATOM 724 CA ILE A 49 -2.573 -0.370 0.241 1.00 0.00 C ATOM 725 C ILE A 49 -1.771 0.934 0.240 1.00 0.00 C ATOM 726 O ILE A 49 -0.869 1.109 1.058 1.00 0.00 O ATOM 727 CB ILE A 49 -2.396 -1.112 -1.106 1.00 0.00 C ATOM 728 CG1 ILE A 49 -2.948 -2.535 -0.988 1.00 0.00 C ATOM 729 CG2 ILE A 49 -0.933 -1.157 -1.532 1.00 0.00 C ATOM 730 CD1 ILE A 49 -3.202 -3.199 -2.322 1.00 0.00 C ATOM 0 H ILE A 49 -4.612 -0.304 -0.248 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.186 -1.010 1.034 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.950 -0.564 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.245 -3.142 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.879 -2.509 -0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.847 -1.685 -2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.556 -0.141 -1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.349 -1.677 -0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.592 -4.204 -2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.928 -2.615 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.269 -3.258 -2.883 1.00 0.00 H new ATOM 742 N TYR A 50 -2.083 1.843 -0.683 1.00 0.00 N ATOM 743 CA TYR A 50 -1.349 3.104 -0.766 1.00 0.00 C ATOM 744 C TYR A 50 -1.322 3.787 0.602 1.00 0.00 C ATOM 745 O TYR A 50 -0.294 4.318 1.022 1.00 0.00 O ATOM 746 CB TYR A 50 -1.939 4.027 -1.850 1.00 0.00 C ATOM 747 CG TYR A 50 -3.000 5.002 -1.375 1.00 0.00 C ATOM 748 CD1 TYR A 50 -4.296 4.583 -1.113 1.00 0.00 C ATOM 749 CD2 TYR A 50 -2.701 6.349 -1.212 1.00 0.00 C ATOM 750 CE1 TYR A 50 -5.263 5.475 -0.689 1.00 0.00 C ATOM 751 CE2 TYR A 50 -3.661 7.247 -0.790 1.00 0.00 C ATOM 752 CZ TYR A 50 -4.941 6.806 -0.529 1.00 0.00 C ATOM 753 OH TYR A 50 -5.900 7.698 -0.107 1.00 0.00 O ATOM 0 H TYR A 50 -2.826 1.733 -1.373 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.322 2.888 -1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.125 4.595 -2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.368 3.406 -2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.554 3.542 -1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.701 6.700 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.266 5.131 -0.484 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.410 8.290 -0.665 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.343 8.095 -0.886 1.00 0.00 H new ATOM 763 N ASP A 51 -2.449 3.731 1.309 1.00 0.00 N ATOM 764 CA ASP A 51 -2.542 4.314 2.642 1.00 0.00 C ATOM 765 C ASP A 51 -1.444 3.769 3.550 1.00 0.00 C ATOM 766 O ASP A 51 -0.900 4.492 4.385 1.00 0.00 O ATOM 767 CB ASP A 51 -3.911 4.021 3.258 1.00 0.00 C ATOM 768 CG ASP A 51 -4.856 5.200 3.156 1.00 0.00 C ATOM 769 OD1 ASP A 51 -4.833 5.891 2.116 1.00 0.00 O ATOM 770 OD2 ASP A 51 -5.617 5.436 4.118 1.00 0.00 O ATOM 0 H ASP A 51 -3.307 3.289 0.980 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.415 5.392 2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.354 3.160 2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.784 3.751 4.306 1.00 0.00 H new ATOM 775 N PHE A 52 -1.122 2.489 3.381 1.00 0.00 N ATOM 776 CA PHE A 52 -0.085 1.850 4.183 1.00 0.00 C ATOM 777 C PHE A 52 1.266 2.502 3.918 1.00 0.00 C ATOM 778 O PHE A 52 2.123 2.565 4.798 1.00 0.00 O ATOM 779 CB PHE A 52 -0.022 0.352 3.870 1.00 0.00 C ATOM 780 CG PHE A 52 1.128 -0.358 4.522 1.00 0.00 C ATOM 781 CD1 PHE A 52 1.038 -0.789 5.836 1.00 0.00 C ATOM 782 CD2 PHE A 52 2.293 -0.610 3.815 1.00 0.00 C ATOM 783 CE1 PHE A 52 2.093 -1.447 6.438 1.00 0.00 C ATOM 784 CE2 PHE A 52 3.351 -1.270 4.411 1.00 0.00 C ATOM 785 CZ PHE A 52 3.252 -1.688 5.725 1.00 0.00 C ATOM 0 H PHE A 52 -1.564 1.875 2.697 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.331 1.977 5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.953 -0.115 4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.047 0.219 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.132 -0.608 6.396 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.375 -0.287 2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.012 -1.773 7.465 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.255 -1.459 3.850 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.079 -2.202 6.193 1.00 0.00 H new ATOM 795 N ILE A 53 1.439 3.012 2.706 1.00 0.00 N ATOM 796 CA ILE A 53 2.668 3.700 2.339 1.00 0.00 C ATOM 797 C ILE A 53 2.805 4.991 3.140 1.00 0.00 C ATOM 798 O ILE A 53 3.912 5.450 3.421 1.00 0.00 O ATOM 799 CB ILE A 53 2.705 4.005 0.829 1.00 0.00 C ATOM 800 CG1 ILE A 53 2.686 2.696 0.039 1.00 0.00 C ATOM 801 CG2 ILE A 53 3.934 4.827 0.466 1.00 0.00 C ATOM 802 CD1 ILE A 53 2.577 2.890 -1.454 1.00 0.00 C ATOM 0 H ILE A 53 0.744 2.962 1.961 1.00 0.00 H new ATOM 0 HA ILE A 53 3.507 3.044 2.572 1.00 0.00 H new ATOM 0 HB ILE A 53 1.824 4.593 0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.595 2.136 0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.848 2.088 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.934 5.027 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.915 5.770 1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.834 4.272 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.569 1.918 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.654 3.422 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.429 3.470 -1.809 1.00 0.00 H new ATOM 814 N GLU A 54 1.668 5.549 3.543 1.00 0.00 N ATOM 815 CA GLU A 54 1.656 6.767 4.339 1.00 0.00 C ATOM 816 C GLU A 54 2.144 6.486 5.757 1.00 0.00 C ATOM 817 O GLU A 54 2.872 7.287 6.343 1.00 0.00 O ATOM 818 CB GLU A 54 0.247 7.359 4.379 1.00 0.00 C ATOM 819 CG GLU A 54 0.124 8.578 5.278 1.00 0.00 C ATOM 820 CD GLU A 54 -0.612 8.278 6.568 1.00 0.00 C ATOM 821 OE1 GLU A 54 -1.841 8.063 6.514 1.00 0.00 O ATOM 822 OE2 GLU A 54 0.041 8.256 7.633 1.00 0.00 O ATOM 0 H GLU A 54 0.743 5.175 3.330 1.00 0.00 H new ATOM 0 HA GLU A 54 2.330 7.487 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.052 7.633 3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.450 6.594 4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.120 8.955 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.399 9.370 4.741 1.00 0.00 H new ATOM 829 N ASP A 55 1.742 5.339 6.302 1.00 0.00 N ATOM 830 CA ASP A 55 2.152 4.950 7.647 1.00 0.00 C ATOM 831 C ASP A 55 3.663 4.735 7.706 1.00 0.00 C ATOM 832 O ASP A 55 4.280 4.873 8.762 1.00 0.00 O ATOM 833 CB ASP A 55 1.403 3.685 8.094 1.00 0.00 C ATOM 834 CG ASP A 55 1.934 2.413 7.459 1.00 0.00 C ATOM 835 OD1 ASP A 55 3.140 2.126 7.614 1.00 0.00 O ATOM 836 OD2 ASP A 55 1.136 1.691 6.827 1.00 0.00 O ATOM 0 H ASP A 55 1.135 4.666 5.834 1.00 0.00 H new ATOM 0 HA ASP A 55 1.896 5.758 8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.470 3.596 9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.347 3.791 7.848 1.00 0.00 H new ATOM 841 N GLN A 56 4.252 4.412 6.558 1.00 0.00 N ATOM 842 CA GLN A 56 5.692 4.202 6.464 1.00 0.00 C ATOM 843 C GLN A 56 6.431 5.525 6.262 1.00 0.00 C ATOM 844 O GLN A 56 7.659 5.574 6.335 1.00 0.00 O ATOM 845 CB GLN A 56 6.009 3.256 5.306 1.00 0.00 C ATOM 846 CG GLN A 56 5.799 1.788 5.640 1.00 0.00 C ATOM 847 CD GLN A 56 5.506 0.952 4.411 1.00 0.00 C ATOM 848 OE1 GLN A 56 6.289 0.078 4.038 1.00 0.00 O ATOM 849 NE2 GLN A 56 4.378 1.224 3.768 1.00 0.00 N ATOM 0 H GLN A 56 3.752 4.290 5.678 1.00 0.00 H new ATOM 0 HA GLN A 56 6.029 3.759 7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.383 3.518 4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.044 3.405 5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.689 1.400 6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.974 1.693 6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.758 1.957 4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.130 0.700 2.929 1.00 0.00 H new ATOM 858 N GLY A 57 5.681 6.595 6.001 1.00 0.00 N ATOM 859 CA GLY A 57 6.290 7.891 5.776 1.00 0.00 C ATOM 860 C GLY A 57 6.085 8.380 4.354 1.00 0.00 C ATOM 861 O GLY A 57 6.833 9.227 3.866 1.00 0.00 O ATOM 0 H GLY A 57 4.663 6.584 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.867 8.615 6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.358 7.831 5.988 1.00 0.00 H new ATOM 865 N GLY A 58 5.070 7.836 3.687 1.00 0.00 N ATOM 866 CA GLY A 58 4.783 8.228 2.320 1.00 0.00 C ATOM 867 C GLY A 58 5.617 7.463 1.312 1.00 0.00 C ATOM 868 O GLY A 58 6.566 6.770 1.677 1.00 0.00 O ATOM 0 H GLY A 58 4.441 7.130 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.726 8.063 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.968 9.296 2.205 1.00 0.00 H new ATOM 872 N LEU A 59 5.261 7.592 0.037 1.00 0.00 N ATOM 873 CA LEU A 59 5.980 6.909 -1.033 1.00 0.00 C ATOM 874 C LEU A 59 7.487 7.104 -0.894 1.00 0.00 C ATOM 875 O LEU A 59 8.270 6.203 -1.195 1.00 0.00 O ATOM 876 CB LEU A 59 5.510 7.429 -2.394 1.00 0.00 C ATOM 877 CG LEU A 59 6.373 7.006 -3.584 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.205 5.522 -3.858 1.00 0.00 C ATOM 879 CD2 LEU A 59 6.022 7.821 -4.818 1.00 0.00 C ATOM 0 H LEU A 59 4.478 8.164 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 59 5.766 5.843 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.490 7.085 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.477 8.518 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 59 7.417 7.196 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.825 5.236 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.509 4.953 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.160 5.310 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.647 7.505 -5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.973 7.665 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.194 8.878 -4.617 1.00 0.00 H new ATOM 891 N GLU A 60 7.884 8.289 -0.448 1.00 0.00 N ATOM 892 CA GLU A 60 9.295 8.610 -0.279 1.00 0.00 C ATOM 893 C GLU A 60 9.926 7.761 0.820 1.00 0.00 C ATOM 894 O GLU A 60 11.083 7.352 0.715 1.00 0.00 O ATOM 895 CB GLU A 60 9.464 10.094 0.052 1.00 0.00 C ATOM 896 CG GLU A 60 8.919 11.024 -1.020 1.00 0.00 C ATOM 897 CD GLU A 60 8.838 12.464 -0.553 1.00 0.00 C ATOM 898 OE1 GLU A 60 9.777 12.919 0.133 1.00 0.00 O ATOM 899 OE2 GLU A 60 7.836 13.137 -0.873 1.00 0.00 O ATOM 0 H GLU A 60 7.247 9.045 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 60 9.803 8.389 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.961 10.307 0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.523 10.306 0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.555 10.967 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.927 10.686 -1.319 1.00 0.00 H new ATOM 906 N ALA A 61 9.163 7.507 1.879 1.00 0.00 N ATOM 907 CA ALA A 61 9.657 6.723 3.006 1.00 0.00 C ATOM 908 C ALA A 61 9.775 5.243 2.651 1.00 0.00 C ATOM 909 O ALA A 61 10.682 4.556 3.121 1.00 0.00 O ATOM 910 CB ALA A 61 8.752 6.907 4.213 1.00 0.00 C ATOM 0 H ALA A 61 8.202 7.832 1.980 1.00 0.00 H new ATOM 0 HA ALA A 61 10.655 7.085 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.132 6.316 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.730 7.960 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.743 6.577 3.965 1.00 0.00 H new ATOM 916 N VAL A 62 8.860 4.755 1.819 1.00 0.00 N ATOM 917 CA VAL A 62 8.877 3.354 1.413 1.00 0.00 C ATOM 918 C VAL A 62 10.120 3.050 0.588 1.00 0.00 C ATOM 919 O VAL A 62 10.833 2.082 0.852 1.00 0.00 O ATOM 920 CB VAL A 62 7.621 2.981 0.606 1.00 0.00 C ATOM 921 CG1 VAL A 62 7.645 1.508 0.223 1.00 0.00 C ATOM 922 CG2 VAL A 62 6.372 3.312 1.406 1.00 0.00 C ATOM 0 H VAL A 62 8.102 5.305 1.415 1.00 0.00 H new ATOM 0 HA VAL A 62 8.890 2.755 2.324 1.00 0.00 H new ATOM 0 HB VAL A 62 7.609 3.565 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.748 1.266 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.527 1.304 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.677 0.898 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.488 3.045 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.378 2.750 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.353 4.379 1.626 1.00 0.00 H new ATOM 932 N ARG A 63 10.376 3.878 -0.414 1.00 0.00 N ATOM 933 CA ARG A 63 11.564 3.718 -1.237 1.00 0.00 C ATOM 934 C ARG A 63 12.811 3.691 -0.356 1.00 0.00 C ATOM 935 O ARG A 63 13.675 2.827 -0.502 1.00 0.00 O ATOM 936 CB ARG A 63 11.665 4.858 -2.254 1.00 0.00 C ATOM 937 CG ARG A 63 10.488 4.930 -3.216 1.00 0.00 C ATOM 938 CD ARG A 63 10.410 6.286 -3.898 1.00 0.00 C ATOM 939 NE ARG A 63 10.439 6.171 -5.354 1.00 0.00 N ATOM 940 CZ ARG A 63 10.756 7.175 -6.165 1.00 0.00 C ATOM 941 NH1 ARG A 63 11.068 8.362 -5.662 1.00 0.00 N ATOM 942 NH2 ARG A 63 10.761 6.994 -7.478 1.00 0.00 N ATOM 0 H ARG A 63 9.780 4.663 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 63 11.490 2.774 -1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.743 5.804 -1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.584 4.740 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.583 4.148 -3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.561 4.740 -2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.494 6.793 -3.593 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.243 6.906 -3.567 1.00 0.00 H new ATOM 0 HE ARG A 63 10.203 5.271 -5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.065 8.505 -4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.311 9.132 -6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.521 6.083 -7.868 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.005 7.766 -8.098 1.00 0.00 H new ATOM 956 N GLN A 64 12.893 4.659 0.553 1.00 0.00 N ATOM 957 CA GLN A 64 14.030 4.785 1.460 1.00 0.00 C ATOM 958 C GLN A 64 14.150 3.597 2.415 1.00 0.00 C ATOM 959 O GLN A 64 15.252 3.112 2.673 1.00 0.00 O ATOM 960 CB GLN A 64 13.915 6.080 2.266 1.00 0.00 C ATOM 961 CG GLN A 64 14.006 7.337 1.416 1.00 0.00 C ATOM 962 CD GLN A 64 13.658 8.592 2.191 1.00 0.00 C ATOM 963 OE1 GLN A 64 14.187 8.830 3.277 1.00 0.00 O ATOM 964 NE2 GLN A 64 12.765 9.402 1.636 1.00 0.00 N ATOM 0 H GLN A 64 12.177 5.374 0.681 1.00 0.00 H new ATOM 0 HA GLN A 64 14.930 4.804 0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.966 6.082 2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 64 14.704 6.102 3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 64 15.016 7.429 1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 64 13.334 7.243 0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.352 9.165 0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.492 10.262 2.111 1.00 0.00 H new ATOM 973 N GLU A 65 13.024 3.154 2.972 1.00 0.00 N ATOM 974 CA GLU A 65 13.041 2.063 3.947 1.00 0.00 C ATOM 975 C GLU A 65 13.441 0.742 3.297 1.00 0.00 C ATOM 976 O GLU A 65 14.156 -0.062 3.895 1.00 0.00 O ATOM 977 CB GLU A 65 11.678 1.934 4.640 1.00 0.00 C ATOM 978 CG GLU A 65 10.631 1.183 3.833 1.00 0.00 C ATOM 979 CD GLU A 65 9.342 0.972 4.603 1.00 0.00 C ATOM 980 OE1 GLU A 65 9.367 0.235 5.611 1.00 0.00 O ATOM 981 OE2 GLU A 65 8.308 1.543 4.198 1.00 0.00 O ATOM 0 H GLU A 65 12.097 3.528 2.768 1.00 0.00 H new ATOM 0 HA GLU A 65 13.791 2.303 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.816 1.426 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.301 2.932 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.417 1.736 2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.034 0.215 3.534 1.00 0.00 H new ATOM 988 N MET A 66 12.986 0.526 2.070 1.00 0.00 N ATOM 989 CA MET A 66 13.313 -0.694 1.344 1.00 0.00 C ATOM 990 C MET A 66 14.813 -0.777 1.071 1.00 0.00 C ATOM 991 O MET A 66 15.360 -1.863 0.881 1.00 0.00 O ATOM 992 CB MET A 66 12.539 -0.750 0.026 1.00 0.00 C ATOM 993 CG MET A 66 11.173 -1.407 0.151 1.00 0.00 C ATOM 994 SD MET A 66 11.278 -3.140 0.639 1.00 0.00 S ATOM 995 CE MET A 66 10.031 -3.866 -0.422 1.00 0.00 C ATOM 0 H MET A 66 12.391 1.177 1.558 1.00 0.00 H new ATOM 0 HA MET A 66 13.026 -1.545 1.962 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.412 0.263 -0.355 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.130 -1.296 -0.710 1.00 0.00 H new ATOM 0 HG2 MET A 66 10.578 -0.862 0.884 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.650 -1.333 -0.802 1.00 0.00 H new ATOM 0 HE1 MET A 66 9.382 -4.513 0.169 1.00 0.00 H new ATOM 0 HE2 MET A 66 9.436 -3.075 -0.878 1.00 0.00 H new ATOM 0 HE3 MET A 66 10.515 -4.453 -1.203 1.00 0.00 H new ATOM 1005 N ARG A 67 15.470 0.379 1.050 1.00 0.00 N ATOM 1006 CA ARG A 67 16.903 0.442 0.786 1.00 0.00 C ATOM 1007 C ARG A 67 17.721 0.054 2.017 1.00 0.00 C ATOM 1008 O ARG A 67 18.553 -0.851 1.956 1.00 0.00 O ATOM 1009 CB ARG A 67 17.294 1.849 0.327 1.00 0.00 C ATOM 1010 CG ARG A 67 16.743 2.218 -1.041 1.00 0.00 C ATOM 1011 CD ARG A 67 17.824 2.168 -2.107 1.00 0.00 C ATOM 1012 NE ARG A 67 17.909 3.416 -2.860 1.00 0.00 N ATOM 1013 CZ ARG A 67 17.049 3.762 -3.812 1.00 0.00 C ATOM 1014 NH1 ARG A 67 16.044 2.956 -4.125 1.00 0.00 N ATOM 1015 NH2 ARG A 67 17.192 4.915 -4.451 1.00 0.00 N ATOM 0 H ARG A 67 15.032 1.286 1.213 1.00 0.00 H new ATOM 0 HA ARG A 67 17.124 -0.275 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 67 16.938 2.573 1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 67 18.381 1.926 0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.937 1.534 -1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.313 3.219 -1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 67 18.786 1.962 -1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 67 17.620 1.345 -2.792 1.00 0.00 H new ATOM 0 HE ARG A 67 18.671 4.058 -2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.930 2.069 -3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.385 3.223 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.963 5.538 -4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.531 5.179 -5.181 1.00 0.00 H new ATOM 1029 N ARG A 68 17.489 0.747 3.129 1.00 0.00 N ATOM 1030 CA ARG A 68 18.243 0.493 4.356 1.00 0.00 C ATOM 1031 C ARG A 68 17.867 -0.847 4.981 1.00 0.00 C ATOM 1032 O ARG A 68 18.718 -1.540 5.538 1.00 0.00 O ATOM 1033 CB ARG A 68 18.024 1.609 5.366 1.00 0.00 C ATOM 1034 CG ARG A 68 16.565 1.843 5.627 1.00 0.00 C ATOM 1035 CD ARG A 68 16.217 3.322 5.606 1.00 0.00 C ATOM 1036 NE ARG A 68 16.574 3.984 6.857 1.00 0.00 N ATOM 1037 CZ ARG A 68 16.278 5.250 7.129 1.00 0.00 C ATOM 1038 NH1 ARG A 68 15.626 5.987 6.240 1.00 0.00 N ATOM 1039 NH2 ARG A 68 16.635 5.783 8.289 1.00 0.00 N ATOM 0 H ARG A 68 16.789 1.485 3.207 1.00 0.00 H new ATOM 0 HA ARG A 68 19.298 0.459 4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 68 18.525 1.357 6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.480 2.528 4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.973 1.320 4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.297 1.420 6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.737 3.805 4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.149 3.441 5.425 1.00 0.00 H new ATOM 0 HE ARG A 68 17.078 3.445 7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.351 5.582 5.345 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.400 6.959 6.451 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.138 5.221 8.975 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.406 6.755 8.495 1.00 0.00 H new ATOM 1053 N GLN A 69 16.592 -1.208 4.888 1.00 0.00 N ATOM 1054 CA GLN A 69 16.116 -2.462 5.459 1.00 0.00 C ATOM 1055 C GLN A 69 16.684 -3.669 4.711 1.00 0.00 C ATOM 1056 O GLN A 69 16.550 -4.805 5.165 1.00 0.00 O ATOM 1057 CB GLN A 69 14.587 -2.506 5.437 1.00 0.00 C ATOM 1058 CG GLN A 69 13.941 -1.579 6.454 1.00 0.00 C ATOM 1059 CD GLN A 69 12.553 -1.130 6.039 1.00 0.00 C ATOM 1060 OE1 GLN A 69 12.115 -1.385 4.917 1.00 0.00 O ATOM 1061 NE2 GLN A 69 11.855 -0.455 6.944 1.00 0.00 N ATOM 0 H GLN A 69 15.873 -0.653 4.425 1.00 0.00 H new ATOM 0 HA GLN A 69 16.464 -2.511 6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 69 14.238 -2.239 4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 69 14.258 -3.528 5.627 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.881 -2.087 7.416 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.575 -0.703 6.595 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.258 -0.266 7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.916 -0.125 6.722 1.00 0.00 H new ATOM 1070 N GLY A 70 17.330 -3.421 3.572 1.00 0.00 N ATOM 1071 CA GLY A 70 17.910 -4.504 2.800 1.00 0.00 C ATOM 1072 C GLY A 70 19.404 -4.638 3.022 1.00 0.00 C ATOM 1073 O GLY A 70 20.193 -4.471 2.092 1.00 0.00 O ATOM 0 H GLY A 70 17.461 -2.491 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 70 17.420 -5.440 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 70 17.717 -4.335 1.741 1.00 0.00 H new ATOM 1077 N GLY A 71 19.795 -4.940 4.255 1.00 0.00 N ATOM 1078 CA GLY A 71 21.204 -5.087 4.569 1.00 0.00 C ATOM 1079 C GLY A 71 21.490 -6.319 5.405 1.00 0.00 C ATOM 1080 O GLY A 71 20.588 -7.107 5.692 1.00 0.00 O ATOM 0 H GLY A 71 19.162 -5.085 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 71 21.775 -5.141 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 71 21.547 -4.202 5.104 1.00 0.00 H new ATOM 1084 N SER A 72 22.749 -6.484 5.796 1.00 0.00 N ATOM 1085 CA SER A 72 23.156 -7.627 6.604 1.00 0.00 C ATOM 1086 C SER A 72 22.966 -8.931 5.837 1.00 0.00 C ATOM 1087 O SER A 72 21.876 -9.218 5.342 1.00 0.00 O ATOM 1088 CB SER A 72 22.357 -7.666 7.907 1.00 0.00 C ATOM 1089 OG SER A 72 23.037 -8.414 8.900 1.00 0.00 O ATOM 0 H SER A 72 23.506 -5.840 5.566 1.00 0.00 H new ATOM 0 HA SER A 72 24.215 -7.517 6.838 1.00 0.00 H new ATOM 0 HB2 SER A 72 22.188 -6.650 8.264 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.377 -8.106 7.723 1.00 0.00 H new ATOM 0 HG SER A 72 22.506 -8.422 9.724 1.00 0.00 H new ATOM 1095 N GLY A 73 24.034 -9.716 5.742 1.00 0.00 N ATOM 1096 CA GLY A 73 23.964 -10.980 5.033 1.00 0.00 C ATOM 1097 C GLY A 73 23.808 -10.795 3.537 1.00 0.00 C ATOM 1098 O GLY A 73 24.730 -10.339 2.861 1.00 0.00 O ATOM 0 H GLY A 73 24.946 -9.499 6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 73 24.867 -11.556 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 73 23.124 -11.561 5.414 1.00 0.00 H new ATOM 1102 N GLY A 74 22.637 -11.149 3.019 1.00 0.00 N ATOM 1103 CA GLY A 74 22.384 -11.009 1.597 1.00 0.00 C ATOM 1104 C GLY A 74 21.427 -9.875 1.290 1.00 0.00 C ATOM 1105 O GLY A 74 20.624 -9.966 0.362 1.00 0.00 O ATOM 0 H GLY A 74 21.859 -11.530 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 74 23.327 -10.836 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 74 21.974 -11.942 1.210 1.00 0.00 H new ATOM 1109 N SER A 75 21.509 -8.805 2.074 1.00 0.00 N ATOM 1110 CA SER A 75 20.640 -7.650 1.883 1.00 0.00 C ATOM 1111 C SER A 75 19.178 -8.083 1.808 1.00 0.00 C ATOM 1112 O SER A 75 18.477 -7.782 0.842 1.00 0.00 O ATOM 1113 CB SER A 75 21.034 -6.895 0.611 1.00 0.00 C ATOM 1114 OG SER A 75 21.853 -7.695 -0.224 1.00 0.00 O ATOM 0 H SER A 75 22.168 -8.714 2.847 1.00 0.00 H new ATOM 0 HA SER A 75 20.759 -6.985 2.738 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.137 -6.598 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.564 -5.980 0.877 1.00 0.00 H new ATOM 0 HG SER A 75 22.089 -7.191 -1.030 1.00 0.00 H new ATOM 1120 N GLN A 76 18.730 -8.799 2.833 1.00 0.00 N ATOM 1121 CA GLN A 76 17.358 -9.285 2.885 1.00 0.00 C ATOM 1122 C GLN A 76 16.386 -8.156 3.214 1.00 0.00 C ATOM 1123 O GLN A 76 16.263 -7.745 4.368 1.00 0.00 O ATOM 1124 CB GLN A 76 17.232 -10.399 3.924 1.00 0.00 C ATOM 1125 CG GLN A 76 17.557 -9.943 5.331 1.00 0.00 C ATOM 1126 CD GLN A 76 18.563 -10.844 6.020 1.00 0.00 C ATOM 1127 OE1 GLN A 76 18.678 -12.027 5.697 1.00 0.00 O ATOM 1128 NE2 GLN A 76 19.299 -10.288 6.975 1.00 0.00 N ATOM 0 H GLN A 76 19.299 -9.056 3.640 1.00 0.00 H new ATOM 0 HA GLN A 76 17.103 -9.680 1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 76 16.216 -10.794 3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.898 -11.218 3.652 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.949 -8.926 5.298 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.640 -9.912 5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.170 -9.304 7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.993 -10.845 7.473 1.00 0.00 H new ATOM 1137 N SER A 77 15.691 -7.666 2.193 1.00 0.00 N ATOM 1138 CA SER A 77 14.716 -6.596 2.372 1.00 0.00 C ATOM 1139 C SER A 77 13.302 -7.121 2.165 1.00 0.00 C ATOM 1140 O SER A 77 12.846 -7.267 1.032 1.00 0.00 O ATOM 1141 CB SER A 77 14.992 -5.453 1.393 1.00 0.00 C ATOM 1142 OG SER A 77 14.258 -4.293 1.743 1.00 0.00 O ATOM 0 H SER A 77 15.785 -7.993 1.232 1.00 0.00 H new ATOM 0 HA SER A 77 14.807 -6.220 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.058 -5.225 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.727 -5.764 0.382 1.00 0.00 H new ATOM 0 HG SER A 77 14.728 -3.498 1.416 1.00 0.00 H new ATOM 1148 N SER A 78 12.620 -7.429 3.263 1.00 0.00 N ATOM 1149 CA SER A 78 11.258 -7.948 3.188 1.00 0.00 C ATOM 1150 C SER A 78 10.731 -8.338 4.564 1.00 0.00 C ATOM 1151 O SER A 78 9.602 -8.007 4.921 1.00 0.00 O ATOM 1152 CB SER A 78 11.200 -9.157 2.252 1.00 0.00 C ATOM 1153 OG SER A 78 12.497 -9.658 1.977 1.00 0.00 O ATOM 0 H SER A 78 12.985 -7.329 4.210 1.00 0.00 H new ATOM 0 HA SER A 78 10.625 -7.153 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.593 -9.941 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.712 -8.875 1.319 1.00 0.00 H new ATOM 0 HG SER A 78 12.429 -10.431 1.378 1.00 0.00 H new ATOM 1159 N GLU A 79 11.560 -9.019 5.345 1.00 0.00 N ATOM 1160 CA GLU A 79 11.157 -9.463 6.672 1.00 0.00 C ATOM 1161 C GLU A 79 11.066 -8.282 7.630 1.00 0.00 C ATOM 1162 O GLU A 79 11.852 -8.162 8.569 1.00 0.00 O ATOM 1163 CB GLU A 79 12.151 -10.493 7.209 1.00 0.00 C ATOM 1164 CG GLU A 79 11.870 -11.913 6.744 1.00 0.00 C ATOM 1165 CD GLU A 79 12.348 -12.956 7.736 1.00 0.00 C ATOM 1166 OE1 GLU A 79 13.347 -12.693 8.439 1.00 0.00 O ATOM 1167 OE2 GLU A 79 11.724 -14.035 7.810 1.00 0.00 O ATOM 0 H GLU A 79 12.512 -9.275 5.083 1.00 0.00 H new ATOM 0 HA GLU A 79 10.173 -9.924 6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.157 -10.211 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.135 -10.467 8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.799 -12.034 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.357 -12.080 5.783 1.00 0.00 H new ATOM 1174 N GLY A 80 10.095 -7.415 7.376 1.00 0.00 N ATOM 1175 CA GLY A 80 9.894 -6.246 8.210 1.00 0.00 C ATOM 1176 C GLY A 80 8.664 -5.462 7.800 1.00 0.00 C ATOM 1177 O GLY A 80 7.558 -5.738 8.267 1.00 0.00 O ATOM 0 H GLY A 80 9.438 -7.502 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.797 -6.555 9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.771 -5.602 8.150 1.00 0.00 H new ATOM 1181 N LEU A 81 8.852 -4.495 6.907 1.00 0.00 N ATOM 1182 CA LEU A 81 7.743 -3.685 6.417 1.00 0.00 C ATOM 1183 C LEU A 81 6.725 -4.555 5.690 1.00 0.00 C ATOM 1184 O LEU A 81 5.517 -4.361 5.825 1.00 0.00 O ATOM 1185 CB LEU A 81 8.254 -2.586 5.485 1.00 0.00 C ATOM 1186 CG LEU A 81 8.726 -3.061 4.110 1.00 0.00 C ATOM 1187 CD1 LEU A 81 8.825 -1.885 3.149 1.00 0.00 C ATOM 1188 CD2 LEU A 81 10.064 -3.776 4.219 1.00 0.00 C ATOM 0 H LEU A 81 9.760 -4.254 6.509 1.00 0.00 H new ATOM 0 HA LEU A 81 7.256 -3.220 7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.459 -1.853 5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.080 -2.071 5.976 1.00 0.00 H new ATOM 0 HG LEU A 81 7.993 -3.767 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.162 -2.239 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.847 -1.416 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.537 -1.157 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.382 -4.106 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.808 -3.094 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.962 -4.641 4.875 1.00 0.00 H new ATOM 1200 N VAL A 82 7.223 -5.527 4.934 1.00 0.00 N ATOM 1201 CA VAL A 82 6.357 -6.443 4.198 1.00 0.00 C ATOM 1202 C VAL A 82 5.481 -7.241 5.155 1.00 0.00 C ATOM 1203 O VAL A 82 4.395 -7.692 4.790 1.00 0.00 O ATOM 1204 CB VAL A 82 7.163 -7.431 3.333 1.00 0.00 C ATOM 1205 CG1 VAL A 82 6.237 -8.199 2.402 1.00 0.00 C ATOM 1206 CG2 VAL A 82 8.245 -6.709 2.544 1.00 0.00 C ATOM 0 H VAL A 82 8.221 -5.702 4.814 1.00 0.00 H new ATOM 0 HA VAL A 82 5.738 -5.828 3.545 1.00 0.00 H new ATOM 0 HB VAL A 82 7.653 -8.143 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.822 -8.893 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.509 -8.756 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.716 -7.499 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.799 -7.430 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.785 -5.968 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.927 -6.212 3.233 1.00 0.00 H new ATOM 1216 N GLY A 83 5.962 -7.413 6.382 1.00 0.00 N ATOM 1217 CA GLY A 83 5.209 -8.157 7.373 1.00 0.00 C ATOM 1218 C GLY A 83 3.960 -7.422 7.811 1.00 0.00 C ATOM 1219 O GLY A 83 2.902 -8.029 7.983 1.00 0.00 O ATOM 0 H GLY A 83 6.859 -7.051 6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.932 -9.128 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.841 -8.346 8.241 1.00 0.00 H new ATOM 1223 N ALA A 84 4.078 -6.109 7.981 1.00 0.00 N ATOM 1224 CA ALA A 84 2.942 -5.289 8.384 1.00 0.00 C ATOM 1225 C ALA A 84 1.857 -5.308 7.312 1.00 0.00 C ATOM 1226 O ALA A 84 0.671 -5.438 7.615 1.00 0.00 O ATOM 1227 CB ALA A 84 3.393 -3.863 8.662 1.00 0.00 C ATOM 0 H ALA A 84 4.947 -5.592 7.846 1.00 0.00 H new ATOM 0 HA ALA A 84 2.523 -5.706 9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.535 -3.262 8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.132 -3.865 9.463 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.836 -3.439 7.761 1.00 0.00 H new ATOM 1233 N LEU A 85 2.278 -5.190 6.056 1.00 0.00 N ATOM 1234 CA LEU A 85 1.351 -5.209 4.929 1.00 0.00 C ATOM 1235 C LEU A 85 0.506 -6.474 4.946 1.00 0.00 C ATOM 1236 O LEU A 85 -0.719 -6.419 4.842 1.00 0.00 O ATOM 1237 CB LEU A 85 2.126 -5.132 3.614 1.00 0.00 C ATOM 1238 CG LEU A 85 1.293 -4.756 2.384 1.00 0.00 C ATOM 1239 CD1 LEU A 85 0.336 -3.617 2.705 1.00 0.00 C ATOM 1240 CD2 LEU A 85 2.201 -4.380 1.223 1.00 0.00 C ATOM 0 H LEU A 85 3.257 -5.080 5.793 1.00 0.00 H new ATOM 0 HA LEU A 85 0.691 -4.346 5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.928 -4.402 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.597 -6.098 3.432 1.00 0.00 H new ATOM 0 HG LEU A 85 0.701 -5.624 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.244 -3.368 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.338 -3.923 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.904 -2.743 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.594 -4.116 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.820 -3.528 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.841 -5.226 0.973 1.00 0.00 H new ATOM 1252 N MET A 86 1.173 -7.613 5.086 1.00 0.00 N ATOM 1253 CA MET A 86 0.491 -8.903 5.106 1.00 0.00 C ATOM 1254 C MET A 86 -0.678 -8.884 6.085 1.00 0.00 C ATOM 1255 O MET A 86 -1.662 -9.601 5.905 1.00 0.00 O ATOM 1256 CB MET A 86 1.471 -10.015 5.486 1.00 0.00 C ATOM 1257 CG MET A 86 2.350 -10.470 4.334 1.00 0.00 C ATOM 1258 SD MET A 86 2.397 -12.264 4.163 1.00 0.00 S ATOM 1259 CE MET A 86 4.025 -12.492 3.452 1.00 0.00 C ATOM 0 H MET A 86 2.186 -7.671 5.188 1.00 0.00 H new ATOM 0 HA MET A 86 0.102 -9.097 4.106 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.106 -9.666 6.301 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.909 -10.870 5.863 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.983 -10.030 3.407 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.363 -10.097 4.485 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.204 -13.554 3.286 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.085 -11.962 2.502 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.778 -12.099 4.135 1.00 0.00 H new ATOM 1269 N HIS A 87 -0.567 -8.053 7.115 1.00 0.00 N ATOM 1270 CA HIS A 87 -1.623 -7.930 8.112 1.00 0.00 C ATOM 1271 C HIS A 87 -2.721 -6.998 7.615 1.00 0.00 C ATOM 1272 O HIS A 87 -3.908 -7.271 7.791 1.00 0.00 O ATOM 1273 CB HIS A 87 -1.051 -7.406 9.429 1.00 0.00 C ATOM 1274 CG HIS A 87 -1.497 -8.182 10.629 1.00 0.00 C ATOM 1275 ND1 HIS A 87 -1.571 -9.559 10.652 1.00 0.00 N ATOM 1276 CD2 HIS A 87 -1.894 -7.766 11.856 1.00 0.00 C ATOM 1277 CE1 HIS A 87 -1.994 -9.957 11.839 1.00 0.00 C ATOM 1278 NE2 HIS A 87 -2.197 -8.888 12.587 1.00 0.00 N ATOM 0 H HIS A 87 0.243 -7.455 7.281 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.052 -8.918 8.281 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.038 -7.428 9.377 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.343 -6.363 9.552 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.960 -6.743 12.196 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.147 -10.981 12.145 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -2.526 -8.895 13.552 1.00 0.00 H new ATOM 1287 N VAL A 88 -2.319 -5.896 6.993 1.00 0.00 N ATOM 1288 CA VAL A 88 -3.276 -4.947 6.443 1.00 0.00 C ATOM 1289 C VAL A 88 -4.088 -5.607 5.337 1.00 0.00 C ATOM 1290 O VAL A 88 -5.303 -5.429 5.250 1.00 0.00 O ATOM 1291 CB VAL A 88 -2.577 -3.693 5.883 1.00 0.00 C ATOM 1292 CG1 VAL A 88 -3.599 -2.727 5.303 1.00 0.00 C ATOM 1293 CG2 VAL A 88 -1.746 -3.017 6.963 1.00 0.00 C ATOM 0 H VAL A 88 -1.341 -5.639 6.858 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.935 -4.637 7.255 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.906 -4.001 5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.087 -1.847 4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.146 -3.217 4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.297 -2.424 6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.260 -2.134 6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.393 -2.721 7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.988 -3.711 7.327 1.00 0.00 H new ATOM 1303 N MET A 89 -3.404 -6.380 4.500 1.00 0.00 N ATOM 1304 CA MET A 89 -4.059 -7.104 3.418 1.00 0.00 C ATOM 1305 C MET A 89 -5.012 -8.151 3.981 1.00 0.00 C ATOM 1306 O MET A 89 -6.038 -8.464 3.377 1.00 0.00 O ATOM 1307 CB MET A 89 -3.017 -7.774 2.520 1.00 0.00 C ATOM 1308 CG MET A 89 -1.988 -6.808 1.955 1.00 0.00 C ATOM 1309 SD MET A 89 -2.738 -5.480 0.994 1.00 0.00 S ATOM 1310 CE MET A 89 -3.687 -6.420 -0.199 1.00 0.00 C ATOM 0 H MET A 89 -2.395 -6.521 4.551 1.00 0.00 H new ATOM 0 HA MET A 89 -4.631 -6.392 2.823 1.00 0.00 H new ATOM 0 HB2 MET A 89 -2.502 -8.548 3.090 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.527 -8.272 1.695 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.411 -6.378 2.774 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.288 -7.356 1.325 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.615 -5.945 -1.177 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.294 -7.435 -0.259 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.731 -6.453 0.112 1.00 0.00 H new ATOM 1320 N GLN A 90 -4.661 -8.689 5.145 1.00 0.00 N ATOM 1321 CA GLN A 90 -5.476 -9.702 5.803 1.00 0.00 C ATOM 1322 C GLN A 90 -6.853 -9.158 6.172 1.00 0.00 C ATOM 1323 O GLN A 90 -7.788 -9.920 6.417 1.00 0.00 O ATOM 1324 CB GLN A 90 -4.772 -10.216 7.042 1.00 0.00 C ATOM 1325 CG GLN A 90 -3.754 -11.275 6.710 1.00 0.00 C ATOM 1326 CD GLN A 90 -4.276 -12.684 6.914 1.00 0.00 C ATOM 1327 OE1 GLN A 90 -3.814 -13.407 7.797 1.00 0.00 O ATOM 1328 NE2 GLN A 90 -5.245 -13.083 6.096 1.00 0.00 N ATOM 0 H GLN A 90 -3.813 -8.438 5.653 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.616 -10.524 5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.281 -9.387 7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.508 -10.624 7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.440 -11.157 5.673 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.870 -11.128 7.330 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.599 -12.451 5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.635 -14.021 6.187 1.00 0.00 H new ATOM 1337 N LYS A 91 -6.969 -7.834 6.210 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.222 -7.184 6.571 1.00 0.00 C ATOM 1339 C LYS A 91 -9.273 -7.369 5.482 1.00 0.00 C ATOM 1340 O LYS A 91 -10.398 -7.789 5.756 1.00 0.00 O ATOM 1341 CB LYS A 91 -7.985 -5.696 6.818 1.00 0.00 C ATOM 1342 CG LYS A 91 -8.425 -5.228 8.195 1.00 0.00 C ATOM 1343 CD LYS A 91 -7.424 -5.630 9.266 1.00 0.00 C ATOM 1344 CE LYS A 91 -7.438 -4.659 10.435 1.00 0.00 C ATOM 1345 NZ LYS A 91 -6.314 -4.908 11.379 1.00 0.00 N ATOM 0 H LYS A 91 -6.208 -7.190 5.994 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.594 -7.649 7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.924 -5.480 6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.519 -5.121 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.541 -4.144 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.401 -5.652 8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.655 -6.634 9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.424 -5.667 8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.376 -3.638 10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.385 -4.746 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.360 -4.225 12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.386 -5.874 11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.409 -4.800 10.878 1.00 0.00 H new ATOM 1359 N ARG A 92 -8.893 -7.076 4.244 1.00 0.00 N ATOM 1360 CA ARG A 92 -9.803 -7.201 3.113 1.00 0.00 C ATOM 1361 C ARG A 92 -10.069 -8.664 2.769 1.00 0.00 C ATOM 1362 O ARG A 92 -11.049 -8.981 2.096 1.00 0.00 O ATOM 1363 CB ARG A 92 -9.212 -6.482 1.898 1.00 0.00 C ATOM 1364 CG ARG A 92 -9.777 -5.087 1.642 1.00 0.00 C ATOM 1365 CD ARG A 92 -10.155 -4.352 2.924 1.00 0.00 C ATOM 1366 NE ARG A 92 -11.601 -4.285 3.110 1.00 0.00 N ATOM 1367 CZ ARG A 92 -12.182 -3.767 4.187 1.00 0.00 C ATOM 1368 NH1 ARG A 92 -11.442 -3.275 5.171 1.00 0.00 N ATOM 1369 NH2 ARG A 92 -13.504 -3.741 4.282 1.00 0.00 N ATOM 0 H ARG A 92 -7.959 -6.749 3.998 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.753 -6.743 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.133 -6.403 2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.381 -7.095 1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.041 -4.498 1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.657 -5.169 1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.703 -4.856 3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.746 -3.342 2.897 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.199 -4.657 2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.424 -3.294 5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.890 -2.878 5.997 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.077 -4.119 3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.948 -3.343 5.109 1.00 0.00 H new ATOM 1383 N SER A 93 -9.198 -9.553 3.237 1.00 0.00 N ATOM 1384 CA SER A 93 -9.347 -10.978 2.967 1.00 0.00 C ATOM 1385 C SER A 93 -10.444 -11.586 3.833 1.00 0.00 C ATOM 1386 O SER A 93 -11.101 -12.548 3.434 1.00 0.00 O ATOM 1387 CB SER A 93 -8.024 -11.705 3.218 1.00 0.00 C ATOM 1388 OG SER A 93 -6.920 -10.894 2.858 1.00 0.00 O ATOM 0 H SER A 93 -8.384 -9.312 3.803 1.00 0.00 H new ATOM 0 HA SER A 93 -9.629 -11.096 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.950 -11.979 4.270 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.000 -12.632 2.645 1.00 0.00 H new ATOM 0 HG SER A 93 -6.824 -10.166 3.507 1.00 0.00 H new ATOM 1394 N ARG A 94 -10.637 -11.024 5.022 1.00 0.00 N ATOM 1395 CA ARG A 94 -11.652 -11.521 5.945 1.00 0.00 C ATOM 1396 C ARG A 94 -12.672 -10.439 6.308 1.00 0.00 C ATOM 1397 O ARG A 94 -13.556 -10.668 7.134 1.00 0.00 O ATOM 1398 CB ARG A 94 -10.989 -12.051 7.216 1.00 0.00 C ATOM 1399 CG ARG A 94 -10.048 -13.220 6.970 1.00 0.00 C ATOM 1400 CD ARG A 94 -10.797 -14.449 6.479 1.00 0.00 C ATOM 1401 NE ARG A 94 -9.892 -15.549 6.156 1.00 0.00 N ATOM 1402 CZ ARG A 94 -9.226 -15.644 5.009 1.00 0.00 C ATOM 1403 NH1 ARG A 94 -9.366 -14.709 4.080 1.00 0.00 N ATOM 1404 NH2 ARG A 94 -8.420 -16.674 4.790 1.00 0.00 N ATOM 0 H ARG A 94 -10.105 -10.226 5.369 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.185 -12.328 5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.434 -11.242 7.690 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.763 -12.360 7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.296 -12.934 6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -9.517 -13.461 7.891 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.503 -14.773 7.244 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.381 -14.189 5.596 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.764 -16.286 6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.985 -13.915 4.244 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.854 -14.783 3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.310 -17.396 5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.910 -16.744 3.909 1.00 0.00 H new ATOM 1418 N ALA A 95 -12.554 -9.265 5.692 1.00 0.00 N ATOM 1419 CA ALA A 95 -13.475 -8.167 5.966 1.00 0.00 C ATOM 1420 C ALA A 95 -14.830 -8.412 5.312 1.00 0.00 C ATOM 1421 O ALA A 95 -14.916 -9.026 4.249 1.00 0.00 O ATOM 1422 CB ALA A 95 -12.888 -6.849 5.487 1.00 0.00 C ATOM 0 H ALA A 95 -11.833 -9.051 5.003 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.624 -8.113 7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.588 -6.041 5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.948 -6.660 6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -12.707 -6.900 4.413 1.00 0.00 H new ATOM 1428 N ILE A 96 -15.887 -7.930 5.956 1.00 0.00 N ATOM 1429 CA ILE A 96 -17.238 -8.096 5.435 1.00 0.00 C ATOM 1430 C ILE A 96 -17.370 -7.455 4.056 1.00 0.00 C ATOM 1431 O ILE A 96 -17.466 -6.235 3.928 1.00 0.00 O ATOM 1432 CB ILE A 96 -18.288 -7.496 6.394 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -19.704 -7.870 5.946 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -18.133 -5.988 6.494 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -20.191 -7.115 4.727 1.00 0.00 C ATOM 0 H ILE A 96 -15.834 -7.422 6.839 1.00 0.00 H new ATOM 0 HA ILE A 96 -17.424 -9.166 5.348 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.122 -7.917 7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.735 -8.939 5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -20.393 -7.689 6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.884 -5.589 7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.138 -5.749 6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -18.265 -5.543 5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -21.201 -7.440 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.196 -6.046 4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -19.527 -7.315 3.886 1.00 0.00 H new ATOM 1447 N HIS A 97 -17.344 -8.289 3.022 1.00 0.00 N ATOM 1448 CA HIS A 97 -17.452 -7.807 1.650 1.00 0.00 C ATOM 1449 C HIS A 97 -18.667 -6.900 1.487 1.00 0.00 C ATOM 1450 O HIS A 97 -19.796 -7.303 1.765 1.00 0.00 O ATOM 1451 CB HIS A 97 -17.547 -8.985 0.679 1.00 0.00 C ATOM 1452 CG HIS A 97 -16.242 -9.684 0.456 1.00 0.00 C ATOM 1453 ND1 HIS A 97 -15.752 -10.654 1.306 1.00 0.00 N ATOM 1454 CD2 HIS A 97 -15.323 -9.552 -0.530 1.00 0.00 C ATOM 1455 CE1 HIS A 97 -14.588 -11.087 0.853 1.00 0.00 C ATOM 1456 NE2 HIS A 97 -14.307 -10.434 -0.259 1.00 0.00 N ATOM 0 H HIS A 97 -17.249 -9.301 3.108 1.00 0.00 H new ATOM 0 HA HIS A 97 -16.556 -7.229 1.423 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.273 -9.702 1.061 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.926 -8.627 -0.278 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -15.379 -8.878 -1.372 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -13.972 -11.845 1.314 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -13.469 -10.564 -0.826 1.00 0.00 H new ATOM 1465 N SER A 98 -18.431 -5.676 1.019 1.00 0.00 N ATOM 1466 CA SER A 98 -19.521 -4.700 0.829 1.00 0.00 C ATOM 1467 C SER A 98 -19.951 -4.109 2.167 1.00 0.00 C ATOM 1468 O SER A 98 -21.121 -4.184 2.544 1.00 0.00 O ATOM 1469 CB SER A 98 -20.724 -5.362 0.149 1.00 0.00 C ATOM 1470 OG SER A 98 -20.307 -6.261 -0.864 1.00 0.00 O ATOM 0 H SER A 98 -17.506 -5.331 0.764 1.00 0.00 H new ATOM 0 HA SER A 98 -19.148 -3.899 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 98 -21.317 -5.896 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 98 -21.368 -4.596 -0.283 1.00 0.00 H new ATOM 0 HG SER A 98 -21.093 -6.671 -1.281 1.00 0.00 H new ATOM 1476 N SER A 99 -18.997 -3.522 2.881 1.00 0.00 N ATOM 1477 CA SER A 99 -19.278 -2.914 4.176 1.00 0.00 C ATOM 1478 C SER A 99 -20.162 -1.682 4.016 1.00 0.00 C ATOM 1479 O SER A 99 -20.633 -1.382 2.919 1.00 0.00 O ATOM 1480 CB SER A 99 -17.973 -2.532 4.877 1.00 0.00 C ATOM 1481 OG SER A 99 -17.495 -1.279 4.420 1.00 0.00 O ATOM 0 H SER A 99 -18.023 -3.454 2.585 1.00 0.00 H new ATOM 0 HA SER A 99 -19.809 -3.645 4.786 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.134 -2.492 5.954 1.00 0.00 H new ATOM 0 HB3 SER A 99 -17.221 -3.300 4.695 1.00 0.00 H new ATOM 0 HG SER A 99 -16.661 -1.058 4.885 1.00 0.00 H new ATOM 1487 N ASP A 100 -20.382 -0.972 5.117 1.00 0.00 N ATOM 1488 CA ASP A 100 -21.209 0.228 5.099 1.00 0.00 C ATOM 1489 C ASP A 100 -20.819 1.171 6.231 1.00 0.00 C ATOM 1490 O ASP A 100 -20.350 0.735 7.282 1.00 0.00 O ATOM 1491 CB ASP A 100 -22.688 -0.146 5.218 1.00 0.00 C ATOM 1492 CG ASP A 100 -22.922 -1.274 6.204 1.00 0.00 C ATOM 1493 OD1 ASP A 100 -22.269 -1.277 7.268 1.00 0.00 O ATOM 1494 OD2 ASP A 100 -23.759 -2.154 5.911 1.00 0.00 O ATOM 0 H ASP A 100 -19.999 -1.207 6.033 1.00 0.00 H new ATOM 0 HA ASP A 100 -21.046 0.739 4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -23.257 0.730 5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -23.066 -0.439 4.238 1.00 0.00 H new ATOM 1499 N GLU A 101 -21.012 2.467 6.009 1.00 0.00 N ATOM 1500 CA GLU A 101 -20.684 3.471 7.013 1.00 0.00 C ATOM 1501 C GLU A 101 -21.897 4.334 7.335 1.00 0.00 C ATOM 1502 O GLU A 101 -21.767 5.519 7.641 1.00 0.00 O ATOM 1503 CB GLU A 101 -19.537 4.355 6.528 1.00 0.00 C ATOM 1504 CG GLU A 101 -19.867 5.146 5.273 1.00 0.00 C ATOM 1505 CD GLU A 101 -18.952 6.338 5.077 1.00 0.00 C ATOM 1506 OE1 GLU A 101 -17.732 6.128 4.911 1.00 0.00 O ATOM 1507 OE2 GLU A 101 -19.455 7.481 5.089 1.00 0.00 O ATOM 0 H GLU A 101 -21.394 2.846 5.142 1.00 0.00 H new ATOM 0 HA GLU A 101 -20.376 2.950 7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -19.263 5.049 7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -18.665 3.731 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -19.794 4.490 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -20.900 5.490 5.326 1.00 0.00 H new ATOM 1514 N GLY A 102 -23.077 3.732 7.256 1.00 0.00 N ATOM 1515 CA GLY A 102 -24.300 4.459 7.540 1.00 0.00 C ATOM 1516 C GLY A 102 -24.714 5.372 6.402 1.00 0.00 C ATOM 1517 O GLY A 102 -25.507 6.293 6.595 1.00 0.00 O ATOM 0 H GLY A 102 -23.209 2.753 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -25.102 3.749 7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -24.164 5.051 8.445 1.00 0.00 H new ATOM 1521 N GLU A 103 -24.175 5.118 5.215 1.00 0.00 N ATOM 1522 CA GLU A 103 -24.492 5.925 4.043 1.00 0.00 C ATOM 1523 C GLU A 103 -25.766 5.428 3.370 1.00 0.00 C ATOM 1524 O GLU A 103 -25.775 4.372 2.739 1.00 0.00 O ATOM 1525 CB GLU A 103 -23.330 5.891 3.049 1.00 0.00 C ATOM 1526 CG GLU A 103 -22.328 7.016 3.247 1.00 0.00 C ATOM 1527 CD GLU A 103 -22.204 7.907 2.026 1.00 0.00 C ATOM 1528 OE1 GLU A 103 -23.241 8.185 1.387 1.00 0.00 O ATOM 1529 OE2 GLU A 103 -21.071 8.325 1.709 1.00 0.00 O ATOM 0 H GLU A 103 -23.516 4.359 5.039 1.00 0.00 H new ATOM 0 HA GLU A 103 -24.653 6.952 4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -22.813 4.935 3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -23.728 5.944 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -22.629 7.619 4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -21.352 6.591 3.483 1.00 0.00 H new ATOM 1536 N ASP A 104 -26.842 6.203 3.504 1.00 0.00 N ATOM 1537 CA ASP A 104 -28.135 5.849 2.917 1.00 0.00 C ATOM 1538 C ASP A 104 -28.435 4.356 3.071 1.00 0.00 C ATOM 1539 O ASP A 104 -27.800 3.664 3.867 1.00 0.00 O ATOM 1540 CB ASP A 104 -28.166 6.240 1.437 1.00 0.00 C ATOM 1541 CG ASP A 104 -27.284 5.353 0.580 1.00 0.00 C ATOM 1542 OD1 ASP A 104 -26.051 5.554 0.588 1.00 0.00 O ATOM 1543 OD2 ASP A 104 -27.826 4.458 -0.102 1.00 0.00 O ATOM 0 H ASP A 104 -26.844 7.085 4.017 1.00 0.00 H new ATOM 0 HA ASP A 104 -28.906 6.401 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -29.192 6.187 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -27.844 7.276 1.332 1.00 0.00 H new ATOM 1548 N GLN A 105 -29.413 3.871 2.313 1.00 0.00 N ATOM 1549 CA GLN A 105 -29.801 2.465 2.371 1.00 0.00 C ATOM 1550 C GLN A 105 -30.479 2.142 3.698 1.00 0.00 C ATOM 1551 O GLN A 105 -29.855 2.207 4.757 1.00 0.00 O ATOM 1552 CB GLN A 105 -28.577 1.566 2.180 1.00 0.00 C ATOM 1553 CG GLN A 105 -28.913 0.188 1.633 1.00 0.00 C ATOM 1554 CD GLN A 105 -28.663 0.075 0.143 1.00 0.00 C ATOM 1555 OE1 GLN A 105 -27.531 -0.137 -0.294 1.00 0.00 O ATOM 1556 NE2 GLN A 105 -29.721 0.214 -0.647 1.00 0.00 N ATOM 0 H GLN A 105 -29.952 4.430 1.651 1.00 0.00 H new ATOM 0 HA GLN A 105 -30.510 2.278 1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -27.879 2.056 1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -28.067 1.453 3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -28.318 -0.561 2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -29.960 -0.036 1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -30.641 0.389 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -29.614 0.146 -1.659 1.00 0.00 H new ATOM 1565 N ALA A 106 -31.759 1.792 3.632 1.00 0.00 N ATOM 1566 CA ALA A 106 -32.522 1.459 4.830 1.00 0.00 C ATOM 1567 C ALA A 106 -32.257 0.022 5.266 1.00 0.00 C ATOM 1568 O ALA A 106 -32.388 -0.912 4.476 1.00 0.00 O ATOM 1569 CB ALA A 106 -34.007 1.676 4.587 1.00 0.00 C ATOM 0 H ALA A 106 -32.290 1.731 2.763 1.00 0.00 H new ATOM 0 HA ALA A 106 -32.198 2.120 5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -34.564 1.424 5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -34.185 2.720 4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -34.338 1.040 3.766 1.00 0.00 H new ATOM 1575 N GLY A 107 -31.880 -0.147 6.530 1.00 0.00 N ATOM 1576 CA GLY A 107 -31.599 -1.472 7.049 1.00 0.00 C ATOM 1577 C GLY A 107 -30.487 -2.167 6.289 1.00 0.00 C ATOM 1578 O GLY A 107 -29.362 -1.626 6.258 1.00 0.00 O ATOM 1579 OXT GLY A 107 -30.741 -3.252 5.724 1.00 0.00 O ATOM 0 H GLY A 107 -31.764 0.610 7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -31.324 -1.396 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -32.504 -2.078 6.999 1.00 0.00 H new TER 1583 GLY A 107