USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 987 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 116 HIS : no HE2:sc= 0.302 K(o=0.61,f=-3.5!) USER MOD Set 1.2: A 118 HIS : no HE2:sc= 0.311 K(o=0.61,f=-3.5!) USER MOD Set 2.1: A 107 GLN : amide:sc= 0.684 K(o=1.3,f=-1.4) USER MOD Set 2.2: A 115 HIS : no HD1:sc= 0.656 K(o=1.3,f=-5.2!) USER MOD Set 3.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 91 ASN : amide:sc= 1.5 K(o=2.5,f=-6.2!) USER MOD Set 4.2: A 93 SER OG : rot -69:sc= 1.02 USER MOD Set 5.1: A 5 LYS NZ :NH3+ 176:sc= 0.917 (180deg=0) USER MOD Set 5.2: A 24 GLN : amide:sc= 0.81 K(o=1.7,f=-1.9) USER MOD Set 6.1: A 13 THR OG1 : rot 180:sc= 0.512 USER MOD Set 6.2: A 18 THR OG1 : rot -70:sc= 0.551 USER MOD Single : A 1 MET CE :methyl -166:sc=-0.00704 (180deg=-0.257) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0832) USER MOD Single : A 2 SER OG : rot -133:sc= 0.647 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.343 K(o=0.34,f=-0.92) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0591 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 0.498 (180deg=0.0501) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0394) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0.953 (180deg=0.915) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1.6!) USER MOD Single : A 45 MET CE :methyl -170:sc= -0.181 (180deg=-0.527) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= 0.954 (180deg=0.769) USER MOD Single : A 64 HIS : no HD1:sc= -0.278 K(o=-0.28,f=-0.84) USER MOD Single : A 65 SER OG : rot 87:sc= 0.961 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 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 76 LYS NZ :NH3+ -173:sc= 1.01 (180deg=0.963) USER MOD Single : A 82 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.6!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 66:sc= 1.43 USER MOD Single : A 117 HIS : no HD1:sc= -0.0155 X(o=-0.016,f=-0.012) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.709 1.210 6.084 1.00 0.00 N ATOM 2 CA MET A 1 18.993 2.667 6.094 1.00 0.00 C ATOM 3 C MET A 1 18.112 3.384 5.068 1.00 0.00 C ATOM 4 O MET A 1 16.892 3.173 5.021 1.00 0.00 O ATOM 5 CB MET A 1 20.468 2.933 5.802 1.00 0.00 C ATOM 6 CG MET A 1 21.428 2.359 6.834 1.00 0.00 C ATOM 7 SD MET A 1 21.176 3.052 8.481 1.00 0.00 S ATOM 8 CE MET A 1 21.758 4.727 8.235 1.00 0.00 C ATOM 0 H1 MET A 1 19.196 0.756 6.883 1.00 0.00 H new ATOM 0 H2 MET A 1 17.684 1.055 6.171 1.00 0.00 H new ATOM 0 H3 MET A 1 19.047 0.797 5.192 1.00 0.00 H new ATOM 0 HA MET A 1 18.765 3.055 7.087 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.713 2.517 4.825 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.624 4.010 5.738 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.304 1.277 6.877 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.453 2.550 6.517 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.902 5.208 9.203 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.705 4.708 7.695 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.022 5.287 7.657 1.00 0.00 H new ATOM 20 N SER A 2 18.753 4.236 4.260 1.00 0.00 N ATOM 21 CA SER A 2 18.172 4.772 3.028 1.00 0.00 C ATOM 22 C SER A 2 19.071 5.892 2.473 1.00 0.00 C ATOM 23 O SER A 2 19.964 6.397 3.177 1.00 0.00 O ATOM 24 CB SER A 2 16.767 5.283 3.285 1.00 0.00 C ATOM 25 OG SER A 2 16.141 5.711 2.107 1.00 0.00 O ATOM 0 H SER A 2 19.697 4.574 4.446 1.00 0.00 H new ATOM 0 HA SER A 2 18.110 3.976 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.173 4.494 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.806 6.109 3.996 1.00 0.00 H new ATOM 0 HG SER A 2 15.724 6.585 2.257 1.00 0.00 H new ATOM 31 N GLY A 3 18.821 6.276 1.209 1.00 0.00 N ATOM 32 CA GLY A 3 19.192 7.593 0.707 1.00 0.00 C ATOM 33 C GLY A 3 18.102 8.607 1.017 1.00 0.00 C ATOM 34 O GLY A 3 18.237 9.398 1.954 1.00 0.00 O ATOM 0 H GLY A 3 18.360 5.682 0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 3 20.131 7.910 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 3 19.357 7.545 -0.369 1.00 0.00 H new ATOM 38 N LYS A 4 17.048 8.606 0.197 1.00 0.00 N ATOM 39 CA LYS A 4 15.895 9.494 0.377 1.00 0.00 C ATOM 40 C LYS A 4 14.759 8.777 1.125 1.00 0.00 C ATOM 41 O LYS A 4 14.668 7.543 1.098 1.00 0.00 O ATOM 42 CB LYS A 4 15.397 10.006 -0.975 1.00 0.00 C ATOM 43 CG LYS A 4 16.379 10.916 -1.703 1.00 0.00 C ATOM 44 CD LYS A 4 15.842 11.331 -3.064 1.00 0.00 C ATOM 45 CE LYS A 4 16.829 12.228 -3.798 1.00 0.00 C ATOM 46 NZ LYS A 4 16.321 12.636 -5.137 1.00 0.00 N ATOM 0 H LYS A 4 16.969 7.989 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 4 16.216 10.345 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 4 15.171 9.151 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.463 10.547 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 4 16.572 11.803 -1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 4 17.332 10.401 -1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.639 10.443 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.894 11.855 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.026 13.117 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.778 11.704 -3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.023 13.246 -5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.157 11.790 -5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.428 13.158 -5.025 1.00 0.00 H new ATOM 60 N LYS A 5 13.943 9.567 1.843 1.00 0.00 N ATOM 61 CA LYS A 5 12.822 9.062 2.638 1.00 0.00 C ATOM 62 C LYS A 5 11.548 9.279 1.800 1.00 0.00 C ATOM 63 O LYS A 5 11.436 10.258 1.054 1.00 0.00 O ATOM 64 CB LYS A 5 12.726 9.770 3.991 1.00 0.00 C ATOM 65 CG LYS A 5 11.674 9.194 4.930 1.00 0.00 C ATOM 66 CD LYS A 5 11.823 9.751 6.338 1.00 0.00 C ATOM 67 CE LYS A 5 11.302 11.178 6.427 1.00 0.00 C ATOM 68 NZ LYS A 5 11.333 11.695 7.822 1.00 0.00 N ATOM 0 H LYS A 5 14.048 10.581 1.885 1.00 0.00 H new ATOM 0 HA LYS A 5 12.960 8.005 2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.698 9.723 4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.506 10.824 3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.679 9.424 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.762 8.108 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.280 9.119 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.872 9.726 6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.903 11.824 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.280 11.216 6.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.034 12.691 7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.687 11.135 8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.300 11.620 8.198 1.00 0.00 H new ATOM 82 N VAL A 6 10.635 8.310 1.873 1.00 0.00 N ATOM 83 CA VAL A 6 9.307 8.380 1.238 1.00 0.00 C ATOM 84 C VAL A 6 8.196 8.140 2.286 1.00 0.00 C ATOM 85 O VAL A 6 8.359 7.319 3.195 1.00 0.00 O ATOM 86 CB VAL A 6 9.166 7.353 0.099 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.395 5.943 0.623 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.796 7.463 -0.550 1.00 0.00 C ATOM 0 H VAL A 6 10.794 7.440 2.381 1.00 0.00 H new ATOM 0 HA VAL A 6 9.203 9.379 0.814 1.00 0.00 H new ATOM 0 HB VAL A 6 9.923 7.568 -0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.292 5.230 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.398 5.870 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.660 5.718 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.714 6.730 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.024 7.273 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.667 8.465 -0.959 1.00 0.00 H new ATOM 98 N GLU A 7 7.072 8.876 2.155 1.00 0.00 N ATOM 99 CA GLU A 7 5.910 8.720 3.036 1.00 0.00 C ATOM 100 C GLU A 7 4.812 7.990 2.246 1.00 0.00 C ATOM 101 O GLU A 7 4.537 8.314 1.084 1.00 0.00 O ATOM 102 CB GLU A 7 5.410 10.073 3.546 1.00 0.00 C ATOM 103 CG GLU A 7 6.311 10.725 4.585 1.00 0.00 C ATOM 104 CD GLU A 7 5.807 12.089 4.966 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.682 12.188 5.394 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.581 13.017 4.935 1.00 0.00 O ATOM 0 H GLU A 7 6.951 9.590 1.437 1.00 0.00 H new ATOM 0 HA GLU A 7 6.190 8.140 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.304 10.750 2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.417 9.941 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.363 10.093 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.324 10.806 4.191 1.00 0.00 H new ATOM 113 N VAL A 8 4.221 6.986 2.893 1.00 0.00 N ATOM 114 CA VAL A 8 3.158 6.149 2.335 1.00 0.00 C ATOM 115 C VAL A 8 1.932 6.246 3.257 1.00 0.00 C ATOM 116 O VAL A 8 2.030 5.975 4.456 1.00 0.00 O ATOM 117 CB VAL A 8 3.589 4.678 2.188 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.431 3.831 1.683 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.781 4.564 1.250 1.00 0.00 C ATOM 0 H VAL A 8 4.475 6.725 3.846 1.00 0.00 H new ATOM 0 HA VAL A 8 2.922 6.511 1.334 1.00 0.00 H new ATOM 0 HB VAL A 8 3.885 4.306 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.754 2.795 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.603 3.888 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.105 4.203 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.072 3.518 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.510 4.953 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.616 5.139 1.651 1.00 0.00 H new ATOM 129 N GLN A 9 0.788 6.659 2.693 1.00 0.00 N ATOM 130 CA GLN A 9 -0.479 6.766 3.426 1.00 0.00 C ATOM 131 C GLN A 9 -1.362 5.561 3.071 1.00 0.00 C ATOM 132 O GLN A 9 -1.681 5.358 1.894 1.00 0.00 O ATOM 133 CB GLN A 9 -1.203 8.072 3.091 1.00 0.00 C ATOM 134 CG GLN A 9 -2.479 8.297 3.883 1.00 0.00 C ATOM 135 CD GLN A 9 -3.118 9.640 3.581 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.566 10.451 2.833 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.286 9.883 4.166 1.00 0.00 N ATOM 0 H GLN A 9 0.717 6.929 1.712 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.271 6.771 4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.525 8.907 3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.443 8.079 2.028 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.189 7.501 3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.258 8.234 4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.706 9.183 4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.763 10.770 4.004 1.00 0.00 H new ATOM 146 N VAL A 10 -1.731 4.754 4.081 1.00 0.00 N ATOM 147 CA VAL A 10 -2.554 3.549 3.884 1.00 0.00 C ATOM 148 C VAL A 10 -3.916 3.785 4.567 1.00 0.00 C ATOM 149 O VAL A 10 -3.977 4.046 5.767 1.00 0.00 O ATOM 150 CB VAL A 10 -1.890 2.285 4.459 1.00 0.00 C ATOM 151 CG1 VAL A 10 -2.790 1.074 4.260 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.535 2.051 3.808 1.00 0.00 C ATOM 0 H VAL A 10 -1.468 4.918 5.053 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.674 3.380 2.814 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.738 2.432 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.305 0.189 4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.739 1.239 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.971 0.926 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.080 1.153 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.665 1.924 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.112 2.907 3.997 1.00 0.00 H new ATOM 162 N LYS A 11 -4.989 3.738 3.762 1.00 0.00 N ATOM 163 CA LYS A 11 -6.372 3.933 4.216 1.00 0.00 C ATOM 164 C LYS A 11 -7.164 2.651 3.924 1.00 0.00 C ATOM 165 O LYS A 11 -7.272 2.241 2.772 1.00 0.00 O ATOM 166 CB LYS A 11 -7.016 5.139 3.529 1.00 0.00 C ATOM 167 CG LYS A 11 -8.473 5.372 3.905 1.00 0.00 C ATOM 168 CD LYS A 11 -9.112 6.430 3.017 1.00 0.00 C ATOM 169 CE LYS A 11 -8.599 7.821 3.356 1.00 0.00 C ATOM 170 NZ LYS A 11 -9.258 8.873 2.533 1.00 0.00 N ATOM 0 H LYS A 11 -4.917 3.560 2.760 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.377 4.136 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.442 6.032 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.949 5.006 2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.027 4.438 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.536 5.683 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.899 6.207 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.195 6.401 3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.773 8.025 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.521 7.859 3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.880 9.806 2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.071 8.694 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.284 8.855 2.703 1.00 0.00 H new ATOM 184 N ILE A 12 -7.720 2.018 4.967 1.00 0.00 N ATOM 185 CA ILE A 12 -8.537 0.794 4.815 1.00 0.00 C ATOM 186 C ILE A 12 -9.915 0.960 5.480 1.00 0.00 C ATOM 187 O ILE A 12 -10.021 1.343 6.638 1.00 0.00 O ATOM 188 CB ILE A 12 -7.833 -0.436 5.416 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.677 -1.695 5.195 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.567 -0.224 6.899 1.00 0.00 C ATOM 191 CD1 ILE A 12 -7.934 -2.983 5.466 1.00 0.00 C ATOM 0 H ILE A 12 -7.621 2.332 5.932 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.669 0.636 3.745 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.876 -0.570 4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.555 -1.650 5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.037 -1.704 4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.069 -1.103 7.309 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.929 0.650 7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.512 -0.067 7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.597 -3.830 5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.071 -3.052 4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.597 -2.998 6.503 1.00 0.00 H new ATOM 203 N THR A 13 -10.963 0.642 4.722 1.00 0.00 N ATOM 204 CA THR A 13 -12.349 0.725 5.171 1.00 0.00 C ATOM 205 C THR A 13 -12.872 -0.693 5.469 1.00 0.00 C ATOM 206 O THR A 13 -12.814 -1.565 4.598 1.00 0.00 O ATOM 207 CB THR A 13 -13.251 1.404 4.124 1.00 0.00 C ATOM 208 OG1 THR A 13 -12.798 2.745 3.895 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.695 1.436 4.603 1.00 0.00 C ATOM 0 H THR A 13 -10.869 0.313 3.761 1.00 0.00 H new ATOM 0 HA THR A 13 -12.377 1.335 6.074 1.00 0.00 H new ATOM 0 HB THR A 13 -13.199 0.832 3.197 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.372 3.175 3.227 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.317 1.919 3.850 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.047 0.417 4.765 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.756 1.994 5.537 1.00 0.00 H new ATOM 217 N CYS A 14 -13.359 -0.921 6.698 1.00 0.00 N ATOM 218 CA CYS A 14 -13.992 -2.194 7.081 1.00 0.00 C ATOM 219 C CYS A 14 -15.226 -1.914 7.959 1.00 0.00 C ATOM 220 O CYS A 14 -15.207 -0.986 8.785 1.00 0.00 O ATOM 221 CB CYS A 14 -12.898 -2.898 7.884 1.00 0.00 C ATOM 222 SG CYS A 14 -13.489 -4.247 8.935 1.00 0.00 S ATOM 0 H CYS A 14 -13.326 -0.234 7.451 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.341 -2.787 6.236 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.154 -3.293 7.192 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.393 -2.162 8.509 1.00 0.00 H new ATOM 227 N ASN A 15 -16.299 -2.701 7.711 1.00 0.00 N ATOM 228 CA ASN A 15 -17.576 -2.688 8.458 1.00 0.00 C ATOM 229 C ASN A 15 -18.389 -1.431 8.113 1.00 0.00 C ATOM 230 O ASN A 15 -19.414 -1.518 7.425 1.00 0.00 O ATOM 231 CB ASN A 15 -17.353 -2.775 9.957 1.00 0.00 C ATOM 232 CG ASN A 15 -18.619 -2.954 10.747 1.00 0.00 C ATOM 233 OD1 ASN A 15 -19.632 -3.441 10.234 1.00 0.00 O ATOM 234 ND2 ASN A 15 -18.591 -2.488 11.969 1.00 0.00 N ATOM 0 H ASN A 15 -16.298 -3.388 6.957 1.00 0.00 H new ATOM 0 HA ASN A 15 -18.140 -3.570 8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -16.683 -3.608 10.168 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.850 -1.868 10.294 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -19.432 -2.517 12.545 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -17.728 -2.096 12.346 1.00 0.00 H new ATOM 241 N GLY A 16 -17.915 -0.272 8.571 1.00 0.00 N ATOM 242 CA GLY A 16 -18.564 1.006 8.275 1.00 0.00 C ATOM 243 C GLY A 16 -17.680 2.200 8.595 1.00 0.00 C ATOM 244 O GLY A 16 -18.103 3.352 8.432 1.00 0.00 O ATOM 0 H GLY A 16 -17.080 -0.192 9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.838 1.034 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.489 1.080 8.847 1.00 0.00 H new ATOM 248 N LYS A 17 -16.445 1.916 9.046 1.00 0.00 N ATOM 249 CA LYS A 17 -15.488 2.928 9.523 1.00 0.00 C ATOM 250 C LYS A 17 -14.194 2.843 8.709 1.00 0.00 C ATOM 251 O LYS A 17 -13.731 1.746 8.374 1.00 0.00 O ATOM 252 CB LYS A 17 -15.192 2.744 11.013 1.00 0.00 C ATOM 253 CG LYS A 17 -14.248 3.784 11.600 1.00 0.00 C ATOM 254 CD LYS A 17 -14.118 3.625 13.107 1.00 0.00 C ATOM 255 CE LYS A 17 -13.120 4.617 13.686 1.00 0.00 C ATOM 256 NZ LYS A 17 -13.096 4.579 15.173 1.00 0.00 N ATOM 0 H LYS A 17 -16.080 0.965 9.090 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.932 3.914 9.388 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.132 2.772 11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.763 1.754 11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.266 3.690 11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.615 4.784 11.368 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.092 3.771 13.575 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.801 2.609 13.341 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.124 4.396 13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.374 5.623 13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.403 5.269 15.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.039 4.815 15.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.828 3.626 15.492 1.00 0.00 H new ATOM 270 N THR A 18 -13.606 4.007 8.420 1.00 0.00 N ATOM 271 CA THR A 18 -12.377 4.108 7.625 1.00 0.00 C ATOM 272 C THR A 18 -11.203 4.327 8.591 1.00 0.00 C ATOM 273 O THR A 18 -11.252 5.211 9.450 1.00 0.00 O ATOM 274 CB THR A 18 -12.436 5.257 6.602 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.501 5.018 5.672 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.121 5.364 5.844 1.00 0.00 C ATOM 0 H THR A 18 -13.969 4.908 8.731 1.00 0.00 H new ATOM 0 HA THR A 18 -12.252 3.187 7.056 1.00 0.00 H new ATOM 0 HB THR A 18 -12.613 6.190 7.136 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.263 4.268 5.088 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.181 6.181 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.311 5.557 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.928 4.430 5.316 1.00 0.00 H new ATOM 284 N TYR A 19 -10.176 3.482 8.462 1.00 0.00 N ATOM 285 CA TYR A 19 -8.983 3.506 9.308 1.00 0.00 C ATOM 286 C TYR A 19 -7.775 3.840 8.426 1.00 0.00 C ATOM 287 O TYR A 19 -7.464 3.100 7.490 1.00 0.00 O ATOM 288 CB TYR A 19 -8.788 2.114 9.994 1.00 0.00 C ATOM 289 CG TYR A 19 -10.034 1.587 10.735 1.00 0.00 C ATOM 290 CD1 TYR A 19 -11.018 0.846 10.061 1.00 0.00 C ATOM 291 CD2 TYR A 19 -10.229 1.835 12.093 1.00 0.00 C ATOM 292 CE1 TYR A 19 -12.141 0.382 10.715 1.00 0.00 C ATOM 293 CE2 TYR A 19 -11.357 1.373 12.750 1.00 0.00 C ATOM 294 CZ TYR A 19 -12.307 0.647 12.058 1.00 0.00 C ATOM 295 OH TYR A 19 -13.441 0.201 12.708 1.00 0.00 O ATOM 0 H TYR A 19 -10.152 2.749 7.753 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.089 4.258 10.090 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.497 1.387 9.236 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.962 2.184 10.702 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.893 0.635 9.009 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.488 2.397 12.642 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.886 -0.186 10.178 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.494 1.580 13.801 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.405 0.469 13.650 1.00 0.00 H new ATOM 305 N GLU A 20 -7.119 4.971 8.703 1.00 0.00 N ATOM 306 CA GLU A 20 -5.982 5.449 7.897 1.00 0.00 C ATOM 307 C GLU A 20 -4.844 5.891 8.810 1.00 0.00 C ATOM 308 O GLU A 20 -5.073 6.392 9.918 1.00 0.00 O ATOM 309 CB GLU A 20 -6.402 6.602 6.983 1.00 0.00 C ATOM 310 CG GLU A 20 -6.846 7.859 7.718 1.00 0.00 C ATOM 311 CD GLU A 20 -7.223 8.950 6.757 1.00 0.00 C ATOM 312 OE1 GLU A 20 -6.409 9.301 5.936 1.00 0.00 O ATOM 313 OE2 GLU A 20 -8.361 9.356 6.766 1.00 0.00 O ATOM 0 H GLU A 20 -7.356 5.580 9.486 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.639 4.626 7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.567 6.854 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.217 6.264 6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.696 7.627 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.042 8.206 8.368 1.00 0.00 H new ATOM 320 N ARG A 21 -3.619 5.681 8.327 1.00 0.00 N ATOM 321 CA ARG A 21 -2.388 6.044 9.028 1.00 0.00 C ATOM 322 C ARG A 21 -1.317 6.350 7.972 1.00 0.00 C ATOM 323 O ARG A 21 -1.230 5.643 6.964 1.00 0.00 O ATOM 324 CB ARG A 21 -1.937 4.987 10.027 1.00 0.00 C ATOM 325 CG ARG A 21 -0.775 5.402 10.914 1.00 0.00 C ATOM 326 CD ARG A 21 -0.432 4.418 11.973 1.00 0.00 C ATOM 327 NE ARG A 21 0.724 4.778 12.779 1.00 0.00 N ATOM 328 CZ ARG A 21 1.000 4.264 13.993 1.00 0.00 C ATOM 329 NH1 ARG A 21 0.190 3.399 14.563 1.00 0.00 N ATOM 330 NH2 ARG A 21 2.095 4.671 14.609 1.00 0.00 N ATOM 0 H ARG A 21 -3.452 5.245 7.420 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.569 6.929 9.637 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.783 4.722 10.661 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.655 4.087 9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.103 5.567 10.289 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.015 6.356 11.384 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.293 4.295 12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.247 3.451 11.506 1.00 0.00 H new ATOM 0 HE ARG A 21 1.371 5.468 12.398 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.663 3.107 14.085 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.414 3.020 15.483 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.705 5.357 14.164 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.330 4.300 15.529 1.00 0.00 H new ATOM 344 N THR A 22 -0.538 7.426 8.178 1.00 0.00 N ATOM 345 CA THR A 22 0.596 7.765 7.307 1.00 0.00 C ATOM 346 C THR A 22 1.898 7.205 7.914 1.00 0.00 C ATOM 347 O THR A 22 2.154 7.373 9.113 1.00 0.00 O ATOM 348 CB THR A 22 0.731 9.286 7.107 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.455 9.796 6.482 1.00 0.00 O ATOM 350 CG2 THR A 22 1.936 9.604 6.235 1.00 0.00 C ATOM 0 H THR A 22 -0.677 8.080 8.948 1.00 0.00 H new ATOM 0 HA THR A 22 0.413 7.316 6.331 1.00 0.00 H new ATOM 0 HB THR A 22 0.867 9.755 8.082 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.368 10.764 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.016 10.683 6.104 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.841 9.228 6.713 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.816 9.129 5.262 1.00 0.00 H new ATOM 358 N TYR A 23 2.691 6.512 7.087 1.00 0.00 N ATOM 359 CA TYR A 23 3.941 5.862 7.515 1.00 0.00 C ATOM 360 C TYR A 23 5.128 6.517 6.810 1.00 0.00 C ATOM 361 O TYR A 23 5.017 6.931 5.655 1.00 0.00 O ATOM 362 CB TYR A 23 3.915 4.350 7.176 1.00 0.00 C ATOM 363 CG TYR A 23 2.720 3.604 7.774 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.505 3.527 7.094 1.00 0.00 C ATOM 365 CD2 TYR A 23 2.801 3.001 9.029 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.419 2.886 7.640 1.00 0.00 C ATOM 367 CE2 TYR A 23 1.712 2.345 9.577 1.00 0.00 C ATOM 368 CZ TYR A 23 0.524 2.296 8.874 1.00 0.00 C ATOM 369 OH TYR A 23 -0.576 1.681 9.424 1.00 0.00 O ATOM 0 H TYR A 23 2.484 6.384 6.096 1.00 0.00 H new ATOM 0 HA TYR A 23 4.040 5.979 8.594 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.901 4.230 6.093 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.836 3.890 7.536 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.416 3.981 6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.728 3.047 9.582 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.515 2.847 7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.791 1.875 10.546 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.340 1.311 10.300 1.00 0.00 H new ATOM 379 N GLN A 24 6.257 6.609 7.514 1.00 0.00 N ATOM 380 CA GLN A 24 7.524 7.052 6.934 1.00 0.00 C ATOM 381 C GLN A 24 8.366 5.797 6.674 1.00 0.00 C ATOM 382 O GLN A 24 8.717 5.073 7.618 1.00 0.00 O ATOM 383 CB GLN A 24 8.261 8.018 7.865 1.00 0.00 C ATOM 384 CG GLN A 24 7.508 9.308 8.147 1.00 0.00 C ATOM 385 CD GLN A 24 8.285 10.246 9.050 1.00 0.00 C ATOM 386 OE1 GLN A 24 9.473 10.036 9.314 1.00 0.00 O ATOM 387 NE2 GLN A 24 7.618 11.288 9.534 1.00 0.00 N ATOM 0 H GLN A 24 6.318 6.377 8.506 1.00 0.00 H new ATOM 0 HA GLN A 24 7.342 7.596 6.007 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.461 7.513 8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.227 8.263 7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.291 9.812 7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.550 9.072 8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.637 11.424 9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.087 11.953 10.150 1.00 0.00 H new ATOM 396 N LEU A 25 8.663 5.528 5.395 1.00 0.00 N ATOM 397 CA LEU A 25 9.447 4.354 4.985 1.00 0.00 C ATOM 398 C LEU A 25 10.856 4.807 4.591 1.00 0.00 C ATOM 399 O LEU A 25 11.015 5.617 3.675 1.00 0.00 O ATOM 400 CB LEU A 25 8.765 3.621 3.823 1.00 0.00 C ATOM 401 CG LEU A 25 7.367 3.069 4.131 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.856 2.252 2.951 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.423 2.218 5.392 1.00 0.00 C ATOM 0 H LEU A 25 8.367 6.117 4.616 1.00 0.00 H new ATOM 0 HA LEU A 25 9.513 3.655 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.690 4.304 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.404 2.795 3.510 1.00 0.00 H new ATOM 0 HG LEU A 25 6.678 3.897 4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.863 1.865 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.803 2.885 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.535 1.421 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.430 1.826 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.115 1.390 5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.764 2.828 6.228 1.00 0.00 H new ATOM 415 N TYR A 26 11.866 4.301 5.309 1.00 0.00 N ATOM 416 CA TYR A 26 13.271 4.649 5.080 1.00 0.00 C ATOM 417 C TYR A 26 14.032 3.399 4.616 1.00 0.00 C ATOM 418 O TYR A 26 14.375 2.543 5.438 1.00 0.00 O ATOM 419 CB TYR A 26 13.908 5.226 6.346 1.00 0.00 C ATOM 420 CG TYR A 26 15.100 6.118 6.082 1.00 0.00 C ATOM 421 CD1 TYR A 26 14.952 7.330 5.422 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.372 5.746 6.493 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.038 8.148 5.178 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.465 6.555 6.254 1.00 0.00 C ATOM 425 CZ TYR A 26 17.295 7.756 5.596 1.00 0.00 C ATOM 426 OH TYR A 26 18.379 8.568 5.356 1.00 0.00 O ATOM 0 H TYR A 26 11.729 3.635 6.069 1.00 0.00 H new ATOM 0 HA TYR A 26 13.324 5.415 4.306 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.156 5.795 6.892 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.218 4.404 6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 26 13.971 7.639 5.093 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.509 4.807 7.009 1.00 0.00 H new ATOM 0 HE1 TYR A 26 15.905 9.088 4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.448 6.249 6.580 1.00 0.00 H new ATOM 0 HH TYR A 26 19.188 8.147 5.714 1.00 0.00 H new ATOM 436 N ALA A 27 14.293 3.299 3.306 1.00 0.00 N ATOM 437 CA ALA A 27 14.926 2.117 2.711 1.00 0.00 C ATOM 438 C ALA A 27 15.915 2.543 1.628 1.00 0.00 C ATOM 439 O ALA A 27 15.629 3.441 0.831 1.00 0.00 O ATOM 440 CB ALA A 27 13.882 1.161 2.133 1.00 0.00 C ATOM 0 H ALA A 27 14.072 4.032 2.632 1.00 0.00 H new ATOM 0 HA ALA A 27 15.464 1.587 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.382 0.295 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.211 0.833 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.308 1.673 1.361 1.00 0.00 H new ATOM 446 N VAL A 28 17.085 1.902 1.638 1.00 0.00 N ATOM 447 CA VAL A 28 18.153 2.135 0.657 1.00 0.00 C ATOM 448 C VAL A 28 17.737 1.555 -0.717 1.00 0.00 C ATOM 449 O VAL A 28 17.721 2.255 -1.740 1.00 0.00 O ATOM 450 CB VAL A 28 19.485 1.504 1.102 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.502 1.552 -0.028 1.00 0.00 C ATOM 452 CG2 VAL A 28 20.026 2.215 2.334 1.00 0.00 C ATOM 0 H VAL A 28 17.323 1.197 2.336 1.00 0.00 H new ATOM 0 HA VAL A 28 18.302 3.212 0.578 1.00 0.00 H new ATOM 0 HB VAL A 28 19.302 0.460 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.437 1.102 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.119 1.000 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 28 20.680 2.589 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.968 1.756 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.193 3.267 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.306 2.132 3.148 1.00 0.00 H new ATOM 462 N ARG A 29 17.378 0.255 -0.699 1.00 0.00 N ATOM 463 CA ARG A 29 17.127 -0.549 -1.907 1.00 0.00 C ATOM 464 C ARG A 29 15.601 -0.670 -2.159 1.00 0.00 C ATOM 465 O ARG A 29 14.808 -0.600 -1.212 1.00 0.00 O ATOM 466 CB ARG A 29 17.803 -1.910 -1.845 1.00 0.00 C ATOM 467 CG ARG A 29 19.323 -1.874 -1.904 1.00 0.00 C ATOM 468 CD ARG A 29 19.979 -3.167 -1.586 1.00 0.00 C ATOM 469 NE ARG A 29 19.793 -3.617 -0.216 1.00 0.00 N ATOM 470 CZ ARG A 29 20.154 -4.830 0.247 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.686 -5.728 -0.551 1.00 0.00 N ATOM 472 NH2 ARG A 29 19.939 -5.101 1.522 1.00 0.00 N ATOM 0 H ARG A 29 17.253 -0.270 0.167 1.00 0.00 H new ATOM 0 HA ARG A 29 17.575 -0.031 -2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.501 -2.407 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.436 -2.520 -2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.629 -1.561 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.684 -1.116 -1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.594 -3.931 -2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 29 21.047 -3.076 -1.783 1.00 0.00 H new ATOM 0 HE ARG A 29 19.359 -2.969 0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.831 -5.512 -1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.954 -6.641 -0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.510 -4.401 2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.202 -6.011 1.901 1.00 0.00 H new ATOM 486 N ASP A 30 15.208 -0.869 -3.435 1.00 0.00 N ATOM 487 CA ASP A 30 13.792 -1.071 -3.848 1.00 0.00 C ATOM 488 C ASP A 30 13.180 -2.293 -3.136 1.00 0.00 C ATOM 489 O ASP A 30 12.028 -2.250 -2.676 1.00 0.00 O ATOM 490 CB ASP A 30 13.688 -1.245 -5.365 1.00 0.00 C ATOM 491 CG ASP A 30 13.978 0.018 -6.165 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.957 1.080 -5.589 1.00 0.00 O ATOM 493 OD2 ASP A 30 14.373 -0.099 -7.300 1.00 0.00 O ATOM 0 H ASP A 30 15.863 -0.895 -4.216 1.00 0.00 H new ATOM 0 HA ASP A 30 13.232 -0.182 -3.558 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.382 -2.025 -5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.685 -1.594 -5.610 1.00 0.00 H new ATOM 498 N GLU A 31 13.980 -3.378 -3.056 1.00 0.00 N ATOM 499 CA GLU A 31 13.579 -4.651 -2.415 1.00 0.00 C ATOM 500 C GLU A 31 13.339 -4.475 -0.903 1.00 0.00 C ATOM 501 O GLU A 31 12.442 -5.112 -0.333 1.00 0.00 O ATOM 502 CB GLU A 31 14.643 -5.726 -2.652 1.00 0.00 C ATOM 503 CG GLU A 31 14.796 -6.150 -4.106 1.00 0.00 C ATOM 504 CD GLU A 31 13.604 -6.936 -4.573 1.00 0.00 C ATOM 505 OE1 GLU A 31 12.859 -7.399 -3.743 1.00 0.00 O ATOM 506 OE2 GLU A 31 13.375 -6.981 -5.759 1.00 0.00 O ATOM 0 H GLU A 31 14.927 -3.396 -3.436 1.00 0.00 H new ATOM 0 HA GLU A 31 12.640 -4.966 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.603 -5.356 -2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.395 -6.603 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.921 -5.267 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.698 -6.752 -4.219 1.00 0.00 H new ATOM 513 N GLU A 32 14.137 -3.599 -0.271 1.00 0.00 N ATOM 514 CA GLU A 32 13.956 -3.237 1.136 1.00 0.00 C ATOM 515 C GLU A 32 12.624 -2.503 1.358 1.00 0.00 C ATOM 516 O GLU A 32 11.946 -2.755 2.346 1.00 0.00 O ATOM 517 CB GLU A 32 15.122 -2.370 1.617 1.00 0.00 C ATOM 518 CG GLU A 32 16.453 -3.102 1.711 1.00 0.00 C ATOM 519 CD GLU A 32 17.590 -2.144 1.938 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.356 -0.960 1.912 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.667 -2.595 2.249 1.00 0.00 O ATOM 0 H GLU A 32 14.920 -3.126 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 32 13.934 -4.159 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.234 -1.524 0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.875 -1.962 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.416 -3.825 2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.626 -3.664 0.794 1.00 0.00 H new ATOM 528 N LEU A 33 12.250 -1.614 0.418 1.00 0.00 N ATOM 529 CA LEU A 33 10.962 -0.897 0.483 1.00 0.00 C ATOM 530 C LEU A 33 9.789 -1.902 0.320 1.00 0.00 C ATOM 531 O LEU A 33 8.802 -1.799 1.038 1.00 0.00 O ATOM 532 CB LEU A 33 10.910 0.258 -0.575 1.00 0.00 C ATOM 533 CG LEU A 33 10.012 1.511 -0.225 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.533 1.152 -0.016 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.552 2.277 1.004 1.00 0.00 C ATOM 0 H LEU A 33 12.820 -1.376 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 33 10.862 -0.427 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.928 0.608 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.555 -0.161 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 33 10.068 2.163 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.970 2.054 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.135 0.705 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.444 0.442 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.908 3.131 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.566 1.614 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.564 2.627 0.799 1.00 0.00 H new ATOM 547 N LYS A 34 9.943 -2.889 -0.599 1.00 0.00 N ATOM 548 CA LYS A 34 8.879 -3.876 -0.916 1.00 0.00 C ATOM 549 C LYS A 34 8.425 -4.637 0.348 1.00 0.00 C ATOM 550 O LYS A 34 7.227 -4.717 0.638 1.00 0.00 O ATOM 551 CB LYS A 34 9.363 -4.868 -1.975 1.00 0.00 C ATOM 552 CG LYS A 34 9.505 -4.276 -3.371 1.00 0.00 C ATOM 553 CD LYS A 34 10.061 -5.298 -4.352 1.00 0.00 C ATOM 554 CE LYS A 34 10.356 -4.666 -5.703 1.00 0.00 C ATOM 555 NZ LYS A 34 10.964 -5.638 -6.652 1.00 0.00 N ATOM 0 H LYS A 34 10.800 -3.023 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 34 8.025 -3.324 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.327 -5.271 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.666 -5.705 -2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.534 -3.925 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.163 -3.408 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.973 -5.735 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.346 -6.111 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.433 -4.273 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.030 -3.820 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.886 -5.271 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.967 -5.775 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.464 -6.548 -6.585 1.00 0.00 H new ATOM 569 N GLU A 35 9.405 -5.182 1.091 1.00 0.00 N ATOM 570 CA GLU A 35 9.144 -5.950 2.318 1.00 0.00 C ATOM 571 C GLU A 35 8.567 -5.069 3.451 1.00 0.00 C ATOM 572 O GLU A 35 7.830 -5.569 4.298 1.00 0.00 O ATOM 573 CB GLU A 35 10.428 -6.634 2.793 1.00 0.00 C ATOM 574 CG GLU A 35 11.554 -5.675 3.154 1.00 0.00 C ATOM 575 CD GLU A 35 12.773 -6.418 3.626 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.743 -7.626 3.636 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.773 -5.785 3.870 1.00 0.00 O ATOM 0 H GLU A 35 10.395 -5.102 0.858 1.00 0.00 H new ATOM 0 HA GLU A 35 8.393 -6.702 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.197 -7.249 3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.777 -7.308 2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.809 -5.067 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.217 -4.992 3.934 1.00 0.00 H new ATOM 584 N LYS A 36 8.908 -3.763 3.444 1.00 0.00 N ATOM 585 CA LYS A 36 8.368 -2.780 4.411 1.00 0.00 C ATOM 586 C LYS A 36 6.875 -2.509 4.148 1.00 0.00 C ATOM 587 O LYS A 36 6.101 -2.370 5.090 1.00 0.00 O ATOM 588 CB LYS A 36 9.157 -1.472 4.349 1.00 0.00 C ATOM 589 CG LYS A 36 10.552 -1.548 4.954 1.00 0.00 C ATOM 590 CD LYS A 36 11.321 -0.253 4.739 1.00 0.00 C ATOM 591 CE LYS A 36 12.754 -0.371 5.235 1.00 0.00 C ATOM 592 NZ LYS A 36 12.820 -0.546 6.712 1.00 0.00 N ATOM 0 H LYS A 36 9.562 -3.361 2.772 1.00 0.00 H new ATOM 0 HA LYS A 36 8.471 -3.205 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.243 -1.163 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.592 -0.696 4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.477 -1.755 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.100 -2.377 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.321 0.001 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.819 0.561 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.238 -1.217 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.311 0.522 4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.813 -0.520 7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.293 0.221 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.400 -1.461 6.972 1.00 0.00 H new ATOM 606 N LEU A 37 6.496 -2.420 2.863 1.00 0.00 N ATOM 607 CA LEU A 37 5.092 -2.246 2.459 1.00 0.00 C ATOM 608 C LEU A 37 4.270 -3.477 2.865 1.00 0.00 C ATOM 609 O LEU A 37 3.135 -3.335 3.306 1.00 0.00 O ATOM 610 CB LEU A 37 4.991 -2.005 0.947 1.00 0.00 C ATOM 611 CG LEU A 37 5.480 -0.632 0.470 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.596 -0.616 -1.048 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.517 0.445 0.949 1.00 0.00 C ATOM 0 H LEU A 37 7.149 -2.466 2.081 1.00 0.00 H new ATOM 0 HA LEU A 37 4.688 -1.372 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.565 -2.776 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.951 -2.128 0.644 1.00 0.00 H new ATOM 0 HG LEU A 37 6.466 -0.432 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.944 0.364 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.306 -1.379 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.621 -0.821 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.865 1.421 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.524 0.252 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.472 0.434 2.038 1.00 0.00 H new ATOM 625 N LYS A 38 4.869 -4.686 2.724 1.00 0.00 N ATOM 626 CA LYS A 38 4.253 -5.942 3.194 1.00 0.00 C ATOM 627 C LYS A 38 3.999 -5.901 4.716 1.00 0.00 C ATOM 628 O LYS A 38 2.926 -6.283 5.167 1.00 0.00 O ATOM 629 CB LYS A 38 5.138 -7.139 2.842 1.00 0.00 C ATOM 630 CG LYS A 38 5.162 -7.488 1.359 1.00 0.00 C ATOM 631 CD LYS A 38 6.155 -8.604 1.070 1.00 0.00 C ATOM 632 CE LYS A 38 5.662 -9.938 1.611 1.00 0.00 C ATOM 633 NZ LYS A 38 6.648 -11.030 1.380 1.00 0.00 N ATOM 0 H LYS A 38 5.782 -4.812 2.286 1.00 0.00 H new ATOM 0 HA LYS A 38 3.293 -6.052 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.156 -6.932 3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.793 -8.008 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.166 -7.793 1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.427 -6.604 0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.314 -8.682 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.118 -8.361 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.466 -9.846 2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.716 -10.196 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.228 -11.941 1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.906 -11.057 0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.499 -10.856 1.951 1.00 0.00 H new ATOM 647 N LYS A 39 4.995 -5.413 5.488 1.00 0.00 N ATOM 648 CA LYS A 39 4.887 -5.293 6.956 1.00 0.00 C ATOM 649 C LYS A 39 3.773 -4.294 7.337 1.00 0.00 C ATOM 650 O LYS A 39 2.914 -4.615 8.150 1.00 0.00 O ATOM 651 CB LYS A 39 6.222 -4.856 7.563 1.00 0.00 C ATOM 652 CG LYS A 39 7.306 -5.925 7.534 1.00 0.00 C ATOM 653 CD LYS A 39 8.596 -5.421 8.163 1.00 0.00 C ATOM 654 CE LYS A 39 9.690 -6.478 8.107 1.00 0.00 C ATOM 655 NZ LYS A 39 10.953 -6.005 8.734 1.00 0.00 N ATOM 0 H LYS A 39 5.889 -5.094 5.114 1.00 0.00 H new ATOM 0 HA LYS A 39 4.629 -6.272 7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.581 -3.977 7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.055 -4.553 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.961 -6.811 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.495 -6.227 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.929 -4.522 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.412 -5.140 9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.349 -7.380 8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.880 -6.749 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.672 -6.754 8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.293 -5.159 8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.779 -5.771 9.732 1.00 0.00 H new ATOM 669 N VAL A 40 3.774 -3.124 6.670 1.00 0.00 N ATOM 670 CA VAL A 40 2.773 -2.058 6.891 1.00 0.00 C ATOM 671 C VAL A 40 1.335 -2.552 6.601 1.00 0.00 C ATOM 672 O VAL A 40 0.431 -2.329 7.406 1.00 0.00 O ATOM 673 CB VAL A 40 3.066 -0.825 6.015 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.888 0.138 6.040 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.333 -0.126 6.483 1.00 0.00 C ATOM 0 H VAL A 40 4.469 -2.889 5.961 1.00 0.00 H new ATOM 0 HA VAL A 40 2.845 -1.780 7.942 1.00 0.00 H new ATOM 0 HB VAL A 40 3.217 -1.161 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.112 1.003 5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.999 -0.364 5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.708 0.466 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.524 0.742 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.210 0.196 7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.175 -0.815 6.416 1.00 0.00 H new ATOM 685 N LEU A 41 1.163 -3.253 5.465 1.00 0.00 N ATOM 686 CA LEU A 41 -0.131 -3.830 5.055 1.00 0.00 C ATOM 687 C LEU A 41 -0.605 -4.910 6.053 1.00 0.00 C ATOM 688 O LEU A 41 -1.760 -4.890 6.457 1.00 0.00 O ATOM 689 CB LEU A 41 -0.022 -4.418 3.642 1.00 0.00 C ATOM 690 CG LEU A 41 -0.071 -3.391 2.503 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.342 -4.047 1.191 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.474 -2.813 2.398 1.00 0.00 C ATOM 0 H LEU A 41 1.919 -3.436 4.804 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.873 -3.031 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.912 -4.975 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.832 -5.134 3.500 1.00 0.00 H new ATOM 0 HG LEU A 41 0.627 -2.581 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.304 -3.311 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.357 -4.434 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.340 -4.867 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.507 -2.084 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.183 -3.615 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.738 -2.326 3.337 1.00 0.00 H new ATOM 704 N ASN A 42 0.308 -5.810 6.476 1.00 0.00 N ATOM 705 CA ASN A 42 0.009 -6.872 7.480 1.00 0.00 C ATOM 706 C ASN A 42 -0.341 -6.277 8.869 1.00 0.00 C ATOM 707 O ASN A 42 -1.299 -6.723 9.512 1.00 0.00 O ATOM 708 CB ASN A 42 1.164 -7.846 7.611 1.00 0.00 C ATOM 709 CG ASN A 42 1.295 -8.791 6.449 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.339 -9.021 5.699 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.448 -9.401 6.344 1.00 0.00 N ATOM 0 H ASN A 42 1.270 -5.827 6.138 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.865 -7.410 7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.092 -7.283 7.716 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.037 -8.425 8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.589 -10.103 5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.205 -9.174 6.989 1.00 0.00 H new ATOM 718 N GLU A 43 0.420 -5.248 9.308 1.00 0.00 N ATOM 719 CA GLU A 43 0.185 -4.580 10.609 1.00 0.00 C ATOM 720 C GLU A 43 -1.148 -3.810 10.601 1.00 0.00 C ATOM 721 O GLU A 43 -1.869 -3.803 11.598 1.00 0.00 O ATOM 722 CB GLU A 43 1.337 -3.629 10.944 1.00 0.00 C ATOM 723 CG GLU A 43 2.634 -4.325 11.332 1.00 0.00 C ATOM 724 CD GLU A 43 3.753 -3.337 11.503 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.537 -2.174 11.258 1.00 0.00 O ATOM 726 OE2 GLU A 43 4.792 -3.723 11.985 1.00 0.00 O ATOM 0 H GLU A 43 1.203 -4.862 8.780 1.00 0.00 H new ATOM 0 HA GLU A 43 0.133 -5.353 11.376 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.526 -2.989 10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.029 -2.979 11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.489 -4.878 12.260 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.902 -5.053 10.566 1.00 0.00 H new ATOM 733 N ARG A 44 -1.457 -3.159 9.460 1.00 0.00 N ATOM 734 CA ARG A 44 -2.748 -2.469 9.260 1.00 0.00 C ATOM 735 C ARG A 44 -3.917 -3.462 9.263 1.00 0.00 C ATOM 736 O ARG A 44 -4.997 -3.154 9.767 1.00 0.00 O ATOM 737 CB ARG A 44 -2.755 -1.610 8.004 1.00 0.00 C ATOM 738 CG ARG A 44 -4.031 -0.815 7.779 1.00 0.00 C ATOM 739 CD ARG A 44 -4.167 0.382 8.647 1.00 0.00 C ATOM 740 NE ARG A 44 -4.766 0.121 9.946 1.00 0.00 N ATOM 741 CZ ARG A 44 -5.016 1.062 10.877 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.687 2.319 10.675 1.00 0.00 N ATOM 743 NH2 ARG A 44 -5.580 0.684 12.011 1.00 0.00 N ATOM 0 H ARG A 44 -0.827 -3.097 8.660 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.880 -1.793 10.105 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.916 -0.916 8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.588 -2.254 7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.069 -0.499 6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.887 -1.469 7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.180 0.820 8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.770 1.126 8.126 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.015 -0.843 10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.235 2.594 9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.884 3.019 11.390 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.814 -0.297 12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.782 1.374 12.735 1.00 0.00 H new ATOM 757 N MET A 45 -3.678 -4.656 8.702 1.00 0.00 N ATOM 758 CA MET A 45 -4.706 -5.697 8.569 1.00 0.00 C ATOM 759 C MET A 45 -4.909 -6.478 9.873 1.00 0.00 C ATOM 760 O MET A 45 -5.955 -7.106 10.053 1.00 0.00 O ATOM 761 CB MET A 45 -4.336 -6.654 7.438 1.00 0.00 C ATOM 762 CG MET A 45 -4.547 -6.091 6.040 1.00 0.00 C ATOM 763 SD MET A 45 -6.279 -5.728 5.691 1.00 0.00 S ATOM 764 CE MET A 45 -6.966 -7.380 5.634 1.00 0.00 C ATOM 0 H MET A 45 -2.768 -4.926 8.328 1.00 0.00 H new ATOM 0 HA MET A 45 -5.648 -5.200 8.336 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.289 -6.938 7.547 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.926 -7.565 7.542 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.959 -5.180 5.927 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.174 -6.804 5.305 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.987 -7.337 5.254 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.360 -8.003 4.976 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.970 -7.807 6.637 1.00 0.00 H new ATOM 774 N ASP A 46 -3.914 -6.425 10.776 1.00 0.00 N ATOM 775 CA ASP A 46 -3.979 -7.142 12.063 1.00 0.00 C ATOM 776 C ASP A 46 -5.245 -6.740 12.886 1.00 0.00 C ATOM 777 O ASP A 46 -6.063 -7.622 13.184 1.00 0.00 O ATOM 778 CB ASP A 46 -2.710 -6.874 12.875 1.00 0.00 C ATOM 779 CG ASP A 46 -1.493 -7.670 12.424 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.656 -8.571 11.635 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.397 -7.276 12.746 1.00 0.00 O ATOM 0 H ASP A 46 -3.055 -5.893 10.639 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.052 -8.208 11.849 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.475 -5.811 12.818 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.909 -7.101 13.922 1.00 0.00 H new ATOM 786 N PRO A 47 -5.469 -5.424 13.261 1.00 0.00 N ATOM 787 CA PRO A 47 -6.692 -5.035 14.004 1.00 0.00 C ATOM 788 C PRO A 47 -7.973 -5.153 13.139 1.00 0.00 C ATOM 789 O PRO A 47 -9.036 -5.391 13.677 1.00 0.00 O ATOM 790 CB PRO A 47 -6.410 -3.570 14.427 1.00 0.00 C ATOM 791 CG PRO A 47 -5.438 -3.066 13.406 1.00 0.00 C ATOM 792 CD PRO A 47 -4.566 -4.250 13.067 1.00 0.00 C ATOM 0 HA PRO A 47 -6.887 -5.690 14.853 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.324 -2.976 14.433 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.991 -3.521 15.432 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.955 -2.692 12.522 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.845 -2.241 13.801 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.196 -4.194 12.043 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.694 -4.304 13.718 1.00 0.00 H new ATOM 800 N ILE A 48 -7.832 -5.023 11.796 1.00 0.00 N ATOM 801 CA ILE A 48 -8.975 -5.055 10.846 1.00 0.00 C ATOM 802 C ILE A 48 -9.611 -6.464 10.774 1.00 0.00 C ATOM 803 O ILE A 48 -10.840 -6.599 10.641 1.00 0.00 O ATOM 804 CB ILE A 48 -8.547 -4.627 9.431 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.069 -3.172 9.434 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.693 -4.812 8.448 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.153 -2.175 9.772 1.00 0.00 C ATOM 0 H ILE A 48 -6.928 -4.894 11.342 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.712 -4.347 11.225 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.719 -5.261 9.114 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.256 -3.068 10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.660 -2.932 8.453 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.372 -4.504 7.453 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.988 -5.861 8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.542 -4.203 8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.739 -1.167 9.754 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.957 -2.250 9.040 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.546 -2.388 10.766 1.00 0.00 H new ATOM 819 N LYS A 49 -8.769 -7.506 10.900 1.00 0.00 N ATOM 820 CA LYS A 49 -9.234 -8.905 10.895 1.00 0.00 C ATOM 821 C LYS A 49 -10.017 -9.207 12.186 1.00 0.00 C ATOM 822 O LYS A 49 -11.043 -9.894 12.163 1.00 0.00 O ATOM 823 CB LYS A 49 -8.056 -9.869 10.746 1.00 0.00 C ATOM 824 CG LYS A 49 -7.391 -9.843 9.376 1.00 0.00 C ATOM 825 CD LYS A 49 -6.175 -10.757 9.334 1.00 0.00 C ATOM 826 CE LYS A 49 -5.435 -10.634 8.011 1.00 0.00 C ATOM 827 NZ LYS A 49 -4.250 -11.531 7.951 1.00 0.00 N ATOM 0 H LYS A 49 -7.760 -7.405 11.007 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.896 -9.046 10.041 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.309 -9.631 11.503 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.403 -10.882 10.949 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.108 -10.153 8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.091 -8.823 9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.502 -10.507 10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.489 -11.790 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.113 -10.874 7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.116 -9.602 7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.774 -11.416 7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.590 -11.286 8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.556 -12.519 8.061 1.00 0.00 H new ATOM 841 N LYS A 50 -9.509 -8.652 13.296 1.00 0.00 N ATOM 842 CA LYS A 50 -10.146 -8.701 14.622 1.00 0.00 C ATOM 843 C LYS A 50 -11.534 -8.007 14.601 1.00 0.00 C ATOM 844 O LYS A 50 -12.452 -8.428 15.319 1.00 0.00 O ATOM 845 CB LYS A 50 -9.242 -8.051 15.671 1.00 0.00 C ATOM 846 CG LYS A 50 -7.946 -8.806 15.939 1.00 0.00 C ATOM 847 CD LYS A 50 -7.100 -8.096 16.985 1.00 0.00 C ATOM 848 CE LYS A 50 -5.733 -8.751 17.128 1.00 0.00 C ATOM 849 NZ LYS A 50 -4.886 -8.056 18.135 1.00 0.00 N ATOM 0 H LYS A 50 -8.624 -8.145 13.298 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.296 -9.748 14.886 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.999 -7.039 15.347 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.796 -7.961 16.605 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.175 -9.817 16.278 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.379 -8.901 15.013 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.977 -7.049 16.707 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.616 -8.112 17.945 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.859 -9.794 17.418 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.226 -8.747 16.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.964 -8.533 18.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.744 -7.067 17.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.357 -8.082 19.062 1.00 0.00 H new ATOM 863 N LEU A 51 -11.677 -6.954 13.757 1.00 0.00 N ATOM 864 CA LEU A 51 -12.941 -6.182 13.630 1.00 0.00 C ATOM 865 C LEU A 51 -13.953 -6.996 12.813 1.00 0.00 C ATOM 866 O LEU A 51 -15.144 -7.047 13.146 1.00 0.00 O ATOM 867 CB LEU A 51 -12.689 -4.819 12.972 1.00 0.00 C ATOM 868 CG LEU A 51 -11.893 -3.822 13.823 1.00 0.00 C ATOM 869 CD1 LEU A 51 -11.541 -2.593 12.994 1.00 0.00 C ATOM 870 CD2 LEU A 51 -12.710 -3.430 15.046 1.00 0.00 C ATOM 0 H LEU A 51 -10.928 -6.618 13.151 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.345 -5.998 14.626 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.156 -4.979 12.034 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.650 -4.371 12.720 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.965 -4.288 14.155 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.976 -1.891 13.607 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.939 -2.893 12.136 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.456 -2.115 12.645 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.143 -2.721 15.650 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.645 -2.969 14.727 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.928 -4.319 15.638 1.00 0.00 H new ATOM 882 N GLY A 52 -13.454 -7.625 11.736 1.00 0.00 N ATOM 883 CA GLY A 52 -14.249 -8.557 10.940 1.00 0.00 C ATOM 884 C GLY A 52 -14.961 -7.895 9.774 1.00 0.00 C ATOM 885 O GLY A 52 -15.654 -6.884 9.954 1.00 0.00 O ATOM 0 H GLY A 52 -12.499 -7.500 11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.599 -9.345 10.560 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.987 -9.035 11.583 1.00 0.00 H new ATOM 889 N CYS A 53 -14.804 -8.485 8.583 1.00 0.00 N ATOM 890 CA CYS A 53 -15.447 -8.032 7.344 1.00 0.00 C ATOM 891 C CYS A 53 -15.440 -9.191 6.331 1.00 0.00 C ATOM 892 O CYS A 53 -14.722 -10.182 6.524 1.00 0.00 O ATOM 893 CB CYS A 53 -14.545 -6.889 6.878 1.00 0.00 C ATOM 894 SG CYS A 53 -14.754 -5.347 7.800 1.00 0.00 S ATOM 0 H CYS A 53 -14.215 -9.307 8.451 1.00 0.00 H new ATOM 0 HA CYS A 53 -16.484 -7.717 7.463 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -13.506 -7.207 6.958 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -14.739 -6.696 5.823 1.00 0.00 H new ATOM 899 N LYS A 54 -16.256 -9.087 5.269 1.00 0.00 N ATOM 900 CA LYS A 54 -16.251 -10.096 4.187 1.00 0.00 C ATOM 901 C LYS A 54 -15.163 -9.732 3.162 1.00 0.00 C ATOM 902 O LYS A 54 -14.473 -10.598 2.635 1.00 0.00 O ATOM 903 CB LYS A 54 -17.619 -10.183 3.508 1.00 0.00 C ATOM 904 CG LYS A 54 -18.728 -10.730 4.396 1.00 0.00 C ATOM 905 CD LYS A 54 -20.043 -10.834 3.638 1.00 0.00 C ATOM 906 CE LYS A 54 -21.155 -11.370 4.529 1.00 0.00 C ATOM 907 NZ LYS A 54 -22.459 -11.432 3.814 1.00 0.00 N ATOM 0 H LYS A 54 -16.921 -8.326 5.133 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.035 -11.074 4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.904 -9.189 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -17.533 -10.815 2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.444 -11.713 4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.856 -10.082 5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -20.323 -9.853 3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -19.917 -11.489 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -20.888 -12.366 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -21.253 -10.734 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -23.189 -11.802 4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -22.727 -10.478 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -22.373 -12.059 2.989 1.00 0.00 H new ATOM 921 N ARG A 55 -14.990 -8.418 2.945 1.00 0.00 N ATOM 922 CA ARG A 55 -13.949 -7.861 2.077 1.00 0.00 C ATOM 923 C ARG A 55 -13.549 -6.476 2.596 1.00 0.00 C ATOM 924 O ARG A 55 -14.305 -5.850 3.349 1.00 0.00 O ATOM 925 CB ARG A 55 -14.360 -7.828 0.612 1.00 0.00 C ATOM 926 CG ARG A 55 -15.544 -6.925 0.301 1.00 0.00 C ATOM 927 CD ARG A 55 -15.948 -6.916 -1.128 1.00 0.00 C ATOM 928 NE ARG A 55 -17.029 -5.995 -1.443 1.00 0.00 N ATOM 929 CZ ARG A 55 -17.576 -5.848 -2.665 1.00 0.00 C ATOM 930 NH1 ARG A 55 -17.125 -6.527 -3.696 1.00 0.00 N ATOM 931 NH2 ARG A 55 -18.566 -4.982 -2.805 1.00 0.00 N ATOM 0 H ARG A 55 -15.580 -7.706 3.375 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.081 -8.519 2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.507 -7.502 0.017 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.601 -8.842 0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.395 -7.241 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.299 -5.907 0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.080 -6.660 -1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.251 -7.923 -1.413 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.399 -5.420 -0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.349 -7.178 -3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.551 -6.403 -4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.894 -4.448 -2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.001 -4.848 -3.718 1.00 0.00 H new ATOM 945 N VAL A 56 -12.361 -6.009 2.194 1.00 0.00 N ATOM 946 CA VAL A 56 -11.813 -4.705 2.617 1.00 0.00 C ATOM 947 C VAL A 56 -11.285 -3.939 1.398 1.00 0.00 C ATOM 948 O VAL A 56 -10.903 -4.553 0.395 1.00 0.00 O ATOM 949 CB VAL A 56 -10.680 -4.864 3.648 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.211 -5.482 4.933 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.554 -5.713 3.078 1.00 0.00 C ATOM 0 H VAL A 56 -11.746 -6.524 1.563 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.623 -4.148 3.088 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.284 -3.875 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.397 -5.587 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.984 -4.839 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.633 -6.464 4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.763 -5.814 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.938 -6.700 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.154 -5.234 2.184 1.00 0.00 H new ATOM 961 N ARG A 57 -11.315 -2.600 1.478 1.00 0.00 N ATOM 962 CA ARG A 57 -10.797 -1.725 0.421 1.00 0.00 C ATOM 963 C ARG A 57 -9.655 -0.887 1.008 1.00 0.00 C ATOM 964 O ARG A 57 -9.815 -0.237 2.047 1.00 0.00 O ATOM 965 CB ARG A 57 -11.875 -0.863 -0.220 1.00 0.00 C ATOM 966 CG ARG A 57 -11.374 0.104 -1.281 1.00 0.00 C ATOM 967 CD ARG A 57 -12.421 0.995 -1.840 1.00 0.00 C ATOM 968 NE ARG A 57 -13.422 0.317 -2.647 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.612 0.844 -2.993 1.00 0.00 C ATOM 970 NH1 ARG A 57 -14.971 2.039 -2.577 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.423 0.119 -3.744 1.00 0.00 N ATOM 0 H ARG A 57 -11.699 -2.096 2.277 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.419 -2.342 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.623 -1.516 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.377 -0.293 0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.583 0.718 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.928 -0.467 -2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.921 1.507 -1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.941 1.762 -2.448 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.208 -0.625 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.344 2.582 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.876 2.423 -2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.141 -0.814 -4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.331 0.492 -4.022 1.00 0.00 H new ATOM 985 N ILE A 58 -8.511 -0.910 0.331 1.00 0.00 N ATOM 986 CA ILE A 58 -7.280 -0.256 0.788 1.00 0.00 C ATOM 987 C ILE A 58 -6.837 0.735 -0.304 1.00 0.00 C ATOM 988 O ILE A 58 -6.721 0.370 -1.478 1.00 0.00 O ATOM 989 CB ILE A 58 -6.152 -1.264 1.074 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.581 -2.250 2.165 1.00 0.00 C ATOM 991 CG2 ILE A 58 -4.880 -0.537 1.481 1.00 0.00 C ATOM 992 CD1 ILE A 58 -5.642 -3.423 2.331 1.00 0.00 C ATOM 0 H ILE A 58 -8.407 -1.389 -0.564 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.484 0.258 1.727 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.950 -1.826 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.654 -1.718 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.578 -2.625 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.093 -1.264 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.566 0.126 0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.068 0.049 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.012 -4.076 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.587 -3.980 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.649 -3.060 2.596 1.00 0.00 H new ATOM 1004 N SER A 59 -6.641 1.987 0.090 1.00 0.00 N ATOM 1005 CA SER A 59 -6.160 3.052 -0.780 1.00 0.00 C ATOM 1006 C SER A 59 -4.775 3.452 -0.267 1.00 0.00 C ATOM 1007 O SER A 59 -4.593 3.684 0.925 1.00 0.00 O ATOM 1008 CB SER A 59 -7.116 4.229 -0.784 1.00 0.00 C ATOM 1009 OG SER A 59 -8.341 3.911 -1.385 1.00 0.00 O ATOM 0 H SER A 59 -6.816 2.297 1.046 1.00 0.00 H new ATOM 0 HA SER A 59 -6.098 2.711 -1.814 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.290 4.558 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.659 5.065 -1.314 1.00 0.00 H new ATOM 0 HG SER A 59 -8.928 4.695 -1.366 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.784 3.458 -1.158 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.399 3.789 -0.813 1.00 0.00 C ATOM 1017 C ILE A 60 -1.958 4.997 -1.644 1.00 0.00 C ATOM 1018 O ILE A 60 -2.160 5.027 -2.861 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.441 2.610 -1.060 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -1.824 1.416 -0.181 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.003 3.028 -0.797 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.007 0.173 -0.448 1.00 0.00 C ATOM 0 H ILE A 60 -3.918 3.233 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.360 4.019 0.252 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.525 2.309 -2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.709 1.696 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.878 1.186 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.660 2.182 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.265 3.848 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.097 3.355 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.337 -0.628 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.140 -0.134 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.047 0.384 -0.265 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.399 6.014 -0.976 1.00 0.00 N ATOM 1035 CA ARG A 61 -0.830 7.183 -1.653 1.00 0.00 C ATOM 1036 C ARG A 61 0.636 7.296 -1.248 1.00 0.00 C ATOM 1037 O ARG A 61 0.958 7.187 -0.057 1.00 0.00 O ATOM 1038 CB ARG A 61 -1.603 8.467 -1.388 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.082 9.690 -2.125 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.017 10.844 -2.132 1.00 0.00 C ATOM 1041 NE ARG A 61 -3.219 10.640 -2.925 1.00 0.00 N ATOM 1042 CZ ARG A 61 -4.331 11.394 -2.838 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -4.414 12.380 -1.970 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -5.347 11.104 -3.631 1.00 0.00 N ATOM 0 H ARG A 61 -1.329 6.049 0.041 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.908 7.039 -2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.645 8.310 -1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.585 8.671 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.142 10.002 -1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.859 9.411 -3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.307 11.067 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.491 11.720 -2.511 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.220 9.871 -3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.629 12.582 -1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.263 12.942 -1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.276 10.326 -4.287 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.202 11.658 -3.587 1.00 0.00 H new ATOM 1058 N VAL A 62 1.514 7.490 -2.231 1.00 0.00 N ATOM 1059 CA VAL A 62 2.955 7.563 -1.991 1.00 0.00 C ATOM 1060 C VAL A 62 3.371 9.038 -2.130 1.00 0.00 C ATOM 1061 O VAL A 62 2.730 9.801 -2.872 1.00 0.00 O ATOM 1062 CB VAL A 62 3.760 6.691 -2.971 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.868 7.373 -4.327 1.00 0.00 C ATOM 1064 CG2 VAL A 62 5.144 6.398 -2.413 1.00 0.00 C ATOM 0 H VAL A 62 1.249 7.600 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 62 3.170 7.180 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 62 3.233 5.746 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.440 6.742 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.870 7.533 -4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.371 8.333 -4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.698 5.780 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.678 7.335 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.049 5.868 -1.465 1.00 0.00 H new ATOM 1074 N LYS A 63 4.399 9.454 -1.381 1.00 0.00 N ATOM 1075 CA LYS A 63 4.836 10.849 -1.401 1.00 0.00 C ATOM 1076 C LYS A 63 5.775 11.065 -2.589 1.00 0.00 C ATOM 1077 O LYS A 63 6.761 10.334 -2.760 1.00 0.00 O ATOM 1078 CB LYS A 63 5.530 11.225 -0.091 1.00 0.00 C ATOM 1079 CG LYS A 63 5.875 12.703 0.036 1.00 0.00 C ATOM 1080 CD LYS A 63 6.606 12.990 1.338 1.00 0.00 C ATOM 1081 CE LYS A 63 6.732 14.487 1.585 1.00 0.00 C ATOM 1082 NZ LYS A 63 7.492 14.784 2.829 1.00 0.00 N ATOM 0 H LYS A 63 4.937 8.849 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 63 3.963 11.493 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.886 10.942 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.446 10.641 0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.496 13.007 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.962 13.297 -0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.071 12.526 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.598 12.540 1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.230 14.954 0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.738 14.928 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.316 15.768 3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.184 14.141 3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.509 14.651 2.655 1.00 0.00 H new ATOM 1096 N HIS A 64 5.461 12.072 -3.398 1.00 0.00 N ATOM 1097 CA HIS A 64 6.186 12.361 -4.631 1.00 0.00 C ATOM 1098 C HIS A 64 7.121 13.550 -4.384 1.00 0.00 C ATOM 1099 O HIS A 64 6.795 14.452 -3.604 1.00 0.00 O ATOM 1100 CB HIS A 64 5.224 12.657 -5.786 1.00 0.00 C ATOM 1101 CG HIS A 64 4.291 11.527 -6.097 1.00 0.00 C ATOM 1102 ND1 HIS A 64 4.696 10.395 -6.774 1.00 0.00 N ATOM 1103 CD2 HIS A 64 2.977 11.355 -5.825 1.00 0.00 C ATOM 1104 CE1 HIS A 64 3.667 9.574 -6.903 1.00 0.00 C ATOM 1105 NE2 HIS A 64 2.614 10.134 -6.338 1.00 0.00 N ATOM 0 H HIS A 64 4.691 12.715 -3.215 1.00 0.00 H new ATOM 0 HA HIS A 64 6.770 11.486 -4.917 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.638 13.543 -5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.804 12.894 -6.678 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.334 12.048 -5.302 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.685 8.609 -7.388 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.681 9.726 -6.290 1.00 0.00 H new ATOM 1113 N SER A 65 8.309 13.498 -5.010 1.00 0.00 N ATOM 1114 CA SER A 65 9.377 14.492 -4.821 1.00 0.00 C ATOM 1115 C SER A 65 8.977 15.873 -5.376 1.00 0.00 C ATOM 1116 O SER A 65 9.081 16.889 -4.682 1.00 0.00 O ATOM 1117 CB SER A 65 10.654 14.009 -5.481 1.00 0.00 C ATOM 1118 OG SER A 65 11.165 12.861 -4.862 1.00 0.00 O ATOM 0 H SER A 65 8.556 12.758 -5.667 1.00 0.00 H new ATOM 0 HA SER A 65 9.543 14.606 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.461 13.798 -6.533 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.401 14.802 -5.447 1.00 0.00 H new ATOM 0 HG SER A 65 10.756 12.065 -5.261 1.00 0.00 H new ATOM 1124 N ASP A 66 8.482 15.874 -6.616 1.00 0.00 N ATOM 1125 CA ASP A 66 8.146 17.098 -7.369 1.00 0.00 C ATOM 1126 C ASP A 66 7.091 16.736 -8.408 1.00 0.00 C ATOM 1127 O ASP A 66 6.861 15.552 -8.622 1.00 0.00 O ATOM 1128 CB ASP A 66 9.380 17.705 -8.041 1.00 0.00 C ATOM 1129 CG ASP A 66 9.245 19.182 -8.387 1.00 0.00 C ATOM 1130 OD1 ASP A 66 8.196 19.734 -8.152 1.00 0.00 O ATOM 1131 OD2 ASP A 66 10.233 19.782 -8.737 1.00 0.00 O ATOM 0 H ASP A 66 8.299 15.017 -7.137 1.00 0.00 H new ATOM 0 HA ASP A 66 7.761 17.852 -6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.238 17.576 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.592 17.148 -8.954 1.00 0.00 H new ATOM 1136 N ALA A 67 6.500 17.750 -9.068 1.00 0.00 N ATOM 1137 CA ALA A 67 5.462 17.567 -10.106 1.00 0.00 C ATOM 1138 C ALA A 67 5.969 16.815 -11.354 1.00 0.00 C ATOM 1139 O ALA A 67 5.227 16.035 -11.957 1.00 0.00 O ATOM 1140 CB ALA A 67 4.874 18.928 -10.492 1.00 0.00 C ATOM 0 H ALA A 67 6.730 18.729 -8.896 1.00 0.00 H new ATOM 0 HA ALA A 67 4.685 16.936 -9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.110 18.790 -11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.428 19.394 -9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.665 19.569 -10.881 1.00 0.00 H new ATOM 1146 N ALA A 68 7.239 17.055 -11.724 1.00 0.00 N ATOM 1147 CA ALA A 68 7.907 16.314 -12.811 1.00 0.00 C ATOM 1148 C ALA A 68 8.252 14.874 -12.379 1.00 0.00 C ATOM 1149 O ALA A 68 8.061 13.923 -13.145 1.00 0.00 O ATOM 1150 CB ALA A 68 9.169 17.061 -13.262 1.00 0.00 C ATOM 0 H ALA A 68 7.828 17.762 -11.283 1.00 0.00 H new ATOM 0 HA ALA A 68 7.217 16.249 -13.652 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.654 16.505 -14.064 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.896 18.053 -13.622 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.855 17.157 -12.421 1.00 0.00 H new ATOM 1156 N GLU A 69 8.735 14.736 -11.132 1.00 0.00 N ATOM 1157 CA GLU A 69 9.259 13.463 -10.601 1.00 0.00 C ATOM 1158 C GLU A 69 8.140 12.425 -10.421 1.00 0.00 C ATOM 1159 O GLU A 69 8.326 11.243 -10.708 1.00 0.00 O ATOM 1160 CB GLU A 69 9.977 13.692 -9.269 1.00 0.00 C ATOM 1161 CG GLU A 69 11.278 14.474 -9.383 1.00 0.00 C ATOM 1162 CD GLU A 69 12.253 13.784 -10.294 1.00 0.00 C ATOM 1163 OE1 GLU A 69 12.508 12.622 -10.089 1.00 0.00 O ATOM 1164 OE2 GLU A 69 12.658 14.384 -11.262 1.00 0.00 O ATOM 0 H GLU A 69 8.774 15.504 -10.462 1.00 0.00 H new ATOM 0 HA GLU A 69 9.971 13.072 -11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.305 14.224 -8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.187 12.725 -8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.071 15.475 -9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.722 14.592 -8.394 1.00 0.00 H new ATOM 1171 N GLU A 70 6.970 12.913 -9.987 1.00 0.00 N ATOM 1172 CA GLU A 70 5.826 12.062 -9.597 1.00 0.00 C ATOM 1173 C GLU A 70 5.371 11.076 -10.680 1.00 0.00 C ATOM 1174 O GLU A 70 4.794 10.039 -10.352 1.00 0.00 O ATOM 1175 CB GLU A 70 4.642 12.945 -9.193 1.00 0.00 C ATOM 1176 CG GLU A 70 3.937 13.622 -10.359 1.00 0.00 C ATOM 1177 CD GLU A 70 2.875 14.571 -9.877 1.00 0.00 C ATOM 1178 OE1 GLU A 70 2.738 14.725 -8.687 1.00 0.00 O ATOM 1179 OE2 GLU A 70 2.276 15.227 -10.697 1.00 0.00 O ATOM 0 H GLU A 70 6.785 13.912 -9.894 1.00 0.00 H new ATOM 0 HA GLU A 70 6.177 11.458 -8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.919 12.336 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.995 13.711 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.665 14.164 -10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.488 12.867 -11.004 1.00 0.00 H new ATOM 1186 N LYS A 71 5.627 11.405 -11.954 1.00 0.00 N ATOM 1187 CA LYS A 71 5.232 10.549 -13.091 1.00 0.00 C ATOM 1188 C LYS A 71 6.051 9.238 -13.071 1.00 0.00 C ATOM 1189 O LYS A 71 5.501 8.136 -13.142 1.00 0.00 O ATOM 1190 CB LYS A 71 5.431 11.282 -14.420 1.00 0.00 C ATOM 1191 CG LYS A 71 4.470 12.442 -14.647 1.00 0.00 C ATOM 1192 CD LYS A 71 4.731 13.123 -15.982 1.00 0.00 C ATOM 1193 CE LYS A 71 3.813 14.319 -16.183 1.00 0.00 C ATOM 1194 NZ LYS A 71 4.072 15.009 -17.476 1.00 0.00 N ATOM 0 H LYS A 71 6.108 12.262 -12.228 1.00 0.00 H new ATOM 0 HA LYS A 71 4.173 10.309 -12.993 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.453 11.658 -14.464 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.319 10.568 -15.236 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.443 12.078 -14.617 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.575 13.167 -13.840 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.770 13.448 -16.029 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.583 12.409 -16.792 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.775 13.989 -16.150 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.950 15.023 -15.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.425 15.818 -17.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.055 15.347 -17.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.916 14.345 -18.261 1.00 0.00 H new ATOM 1208 N LYS A 72 7.378 9.403 -12.938 1.00 0.00 N ATOM 1209 CA LYS A 72 8.339 8.294 -12.886 1.00 0.00 C ATOM 1210 C LYS A 72 8.214 7.531 -11.553 1.00 0.00 C ATOM 1211 O LYS A 72 8.295 6.300 -11.531 1.00 0.00 O ATOM 1212 CB LYS A 72 9.767 8.811 -13.070 1.00 0.00 C ATOM 1213 CG LYS A 72 10.082 9.302 -14.476 1.00 0.00 C ATOM 1214 CD LYS A 72 11.527 9.764 -14.591 1.00 0.00 C ATOM 1215 CE LYS A 72 11.831 10.292 -15.986 1.00 0.00 C ATOM 1216 NZ LYS A 72 13.233 10.779 -16.102 1.00 0.00 N ATOM 0 H LYS A 72 7.816 10.321 -12.863 1.00 0.00 H new ATOM 0 HA LYS A 72 8.112 7.607 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.939 9.626 -12.367 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.465 8.015 -12.812 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.896 8.502 -15.193 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.414 10.124 -14.735 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.721 10.544 -13.855 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.195 8.934 -14.360 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.659 9.503 -16.718 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.144 11.104 -16.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.400 11.130 -17.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.390 11.549 -15.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.890 9.998 -15.899 1.00 0.00 H new ATOM 1230 N GLU A 73 7.992 8.279 -10.455 1.00 0.00 N ATOM 1231 CA GLU A 73 7.884 7.704 -9.103 1.00 0.00 C ATOM 1232 C GLU A 73 6.595 6.892 -8.913 1.00 0.00 C ATOM 1233 O GLU A 73 6.632 5.863 -8.252 1.00 0.00 O ATOM 1234 CB GLU A 73 7.956 8.813 -8.051 1.00 0.00 C ATOM 1235 CG GLU A 73 9.322 9.471 -7.924 1.00 0.00 C ATOM 1236 CD GLU A 73 9.312 10.555 -6.882 1.00 0.00 C ATOM 1237 OE1 GLU A 73 8.450 11.398 -6.938 1.00 0.00 O ATOM 1238 OE2 GLU A 73 10.095 10.476 -5.965 1.00 0.00 O ATOM 0 H GLU A 73 7.883 9.293 -10.481 1.00 0.00 H new ATOM 0 HA GLU A 73 8.723 7.020 -8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.219 9.578 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.675 8.398 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.067 8.719 -7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.616 9.891 -8.886 1.00 0.00 H new ATOM 1245 N ALA A 74 5.467 7.357 -9.492 1.00 0.00 N ATOM 1246 CA ALA A 74 4.189 6.615 -9.442 1.00 0.00 C ATOM 1247 C ALA A 74 4.303 5.282 -10.205 1.00 0.00 C ATOM 1248 O ALA A 74 3.888 4.234 -9.701 1.00 0.00 O ATOM 1249 CB ALA A 74 3.040 7.468 -9.993 1.00 0.00 C ATOM 0 H ALA A 74 5.416 8.241 -9.998 1.00 0.00 H new ATOM 0 HA ALA A 74 3.967 6.389 -8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.111 6.901 -9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.942 8.375 -9.397 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.250 7.735 -11.029 1.00 0.00 H new ATOM 1255 N LYS A 75 4.876 5.345 -11.430 1.00 0.00 N ATOM 1256 CA LYS A 75 5.149 4.148 -12.257 1.00 0.00 C ATOM 1257 C LYS A 75 6.097 3.184 -11.507 1.00 0.00 C ATOM 1258 O LYS A 75 5.865 1.970 -11.459 1.00 0.00 O ATOM 1259 CB LYS A 75 5.753 4.547 -13.604 1.00 0.00 C ATOM 1260 CG LYS A 75 6.037 3.378 -14.537 1.00 0.00 C ATOM 1261 CD LYS A 75 6.570 3.857 -15.879 1.00 0.00 C ATOM 1262 CE LYS A 75 6.891 2.686 -16.797 1.00 0.00 C ATOM 1263 NZ LYS A 75 7.427 3.140 -18.109 1.00 0.00 N ATOM 0 H LYS A 75 5.160 6.221 -11.869 1.00 0.00 H new ATOM 0 HA LYS A 75 4.205 3.637 -12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.073 5.237 -14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.682 5.088 -13.426 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.762 2.708 -14.074 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.124 2.803 -14.691 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.833 4.504 -16.355 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.467 4.456 -15.723 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.619 2.034 -16.313 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.990 2.094 -16.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.633 2.313 -18.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.723 3.741 -18.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.301 3.684 -17.958 1.00 0.00 H new ATOM 1277 N LYS A 76 7.156 3.759 -10.913 1.00 0.00 N ATOM 1278 CA LYS A 76 8.197 3.013 -10.181 1.00 0.00 C ATOM 1279 C LYS A 76 7.569 2.296 -8.968 1.00 0.00 C ATOM 1280 O LYS A 76 7.756 1.091 -8.789 1.00 0.00 O ATOM 1281 CB LYS A 76 9.319 3.947 -9.727 1.00 0.00 C ATOM 1282 CG LYS A 76 10.395 3.274 -8.885 1.00 0.00 C ATOM 1283 CD LYS A 76 11.132 2.206 -9.678 1.00 0.00 C ATOM 1284 CE LYS A 76 12.254 1.583 -8.860 1.00 0.00 C ATOM 1285 NZ LYS A 76 12.979 0.529 -9.621 1.00 0.00 N ATOM 0 H LYS A 76 7.316 4.766 -10.927 1.00 0.00 H new ATOM 0 HA LYS A 76 8.629 2.269 -10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.787 4.388 -10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.884 4.765 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.105 4.022 -8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.940 2.825 -8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.431 1.431 -9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.543 2.644 -10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.956 2.360 -8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.842 1.153 -7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.654 0.049 -8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.297 -0.164 -9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.493 0.964 -10.413 1.00 0.00 H new ATOM 1299 N PHE A 77 6.784 3.054 -8.172 1.00 0.00 N ATOM 1300 CA PHE A 77 6.114 2.547 -6.954 1.00 0.00 C ATOM 1301 C PHE A 77 5.013 1.537 -7.319 1.00 0.00 C ATOM 1302 O PHE A 77 4.746 0.608 -6.556 1.00 0.00 O ATOM 1303 CB PHE A 77 5.536 3.737 -6.134 1.00 0.00 C ATOM 1304 CG PHE A 77 5.172 3.423 -4.679 1.00 0.00 C ATOM 1305 CD1 PHE A 77 6.170 3.194 -3.730 1.00 0.00 C ATOM 1306 CD2 PHE A 77 3.842 3.357 -4.258 1.00 0.00 C ATOM 1307 CE1 PHE A 77 5.845 2.913 -2.415 1.00 0.00 C ATOM 1308 CE2 PHE A 77 3.527 3.075 -2.938 1.00 0.00 C ATOM 1309 CZ PHE A 77 4.527 2.850 -2.021 1.00 0.00 C ATOM 0 H PHE A 77 6.596 4.039 -8.357 1.00 0.00 H new ATOM 0 HA PHE A 77 6.847 2.027 -6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.265 4.548 -6.141 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.645 4.106 -6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.208 3.237 -4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.048 3.528 -4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.630 2.742 -1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.493 3.032 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.279 2.624 -0.994 1.00 0.00 H new ATOM 1319 N ALA A 78 4.393 1.733 -8.497 1.00 0.00 N ATOM 1320 CA ALA A 78 3.382 0.815 -9.030 1.00 0.00 C ATOM 1321 C ALA A 78 3.990 -0.586 -9.206 1.00 0.00 C ATOM 1322 O ALA A 78 3.379 -1.590 -8.824 1.00 0.00 O ATOM 1323 CB ALA A 78 2.820 1.353 -10.352 1.00 0.00 C ATOM 0 H ALA A 78 4.582 2.532 -9.102 1.00 0.00 H new ATOM 0 HA ALA A 78 2.554 0.739 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.070 0.662 -10.737 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.362 2.328 -10.183 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.628 1.453 -11.077 1.00 0.00 H new ATOM 1329 N ALA A 79 5.228 -0.620 -9.741 1.00 0.00 N ATOM 1330 CA ALA A 79 6.014 -1.854 -9.895 1.00 0.00 C ATOM 1331 C ALA A 79 6.359 -2.472 -8.522 1.00 0.00 C ATOM 1332 O ALA A 79 6.274 -3.688 -8.358 1.00 0.00 O ATOM 1333 CB ALA A 79 7.288 -1.565 -10.703 1.00 0.00 C ATOM 0 H ALA A 79 5.709 0.213 -10.079 1.00 0.00 H new ATOM 0 HA ALA A 79 5.412 -2.582 -10.438 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.865 -2.483 -10.813 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.016 -1.187 -11.688 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.888 -0.819 -10.182 1.00 0.00 H new ATOM 1339 N ILE A 80 6.726 -1.599 -7.550 1.00 0.00 N ATOM 1340 CA ILE A 80 6.987 -1.980 -6.140 1.00 0.00 C ATOM 1341 C ILE A 80 5.755 -2.688 -5.524 1.00 0.00 C ATOM 1342 O ILE A 80 5.867 -3.796 -4.990 1.00 0.00 O ATOM 1343 CB ILE A 80 7.351 -0.757 -5.278 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.670 -0.142 -5.754 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.442 -1.147 -3.811 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.874 -1.027 -5.527 1.00 0.00 C ATOM 0 H ILE A 80 6.850 -0.602 -7.725 1.00 0.00 H new ATOM 0 HA ILE A 80 7.835 -2.665 -6.148 1.00 0.00 H new ATOM 0 HB ILE A 80 6.564 -0.011 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.592 0.083 -6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.825 0.806 -5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.700 -0.270 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.481 -1.540 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.210 -1.910 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.770 -0.523 -5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.979 -1.232 -4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.742 -1.965 -6.066 1.00 0.00 H new ATOM 1358 N LEU A 81 4.582 -2.041 -5.656 1.00 0.00 N ATOM 1359 CA LEU A 81 3.307 -2.530 -5.103 1.00 0.00 C ATOM 1360 C LEU A 81 2.833 -3.817 -5.811 1.00 0.00 C ATOM 1361 O LEU A 81 2.236 -4.686 -5.174 1.00 0.00 O ATOM 1362 CB LEU A 81 2.234 -1.439 -5.211 1.00 0.00 C ATOM 1363 CG LEU A 81 2.389 -0.272 -4.229 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.335 0.790 -4.510 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.268 -0.788 -2.803 1.00 0.00 C ATOM 0 H LEU A 81 4.493 -1.156 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 81 3.471 -2.773 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.243 -1.042 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.257 -1.896 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 81 3.372 0.182 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.453 1.615 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.454 1.161 -5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.342 0.356 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.378 0.042 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.291 -1.251 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.048 -1.526 -2.616 1.00 0.00 H new ATOM 1377 N ASN A 82 3.127 -3.922 -7.124 1.00 0.00 N ATOM 1378 CA ASN A 82 2.789 -5.113 -7.941 1.00 0.00 C ATOM 1379 C ASN A 82 3.418 -6.391 -7.360 1.00 0.00 C ATOM 1380 O ASN A 82 2.793 -7.458 -7.376 1.00 0.00 O ATOM 1381 CB ASN A 82 3.215 -4.938 -9.387 1.00 0.00 C ATOM 1382 CG ASN A 82 2.321 -4.019 -10.174 1.00 0.00 C ATOM 1383 OD1 ASN A 82 1.173 -3.759 -9.791 1.00 0.00 O ATOM 1384 ND2 ASN A 82 2.808 -3.596 -11.312 1.00 0.00 N ATOM 0 H ASN A 82 3.603 -3.188 -7.649 1.00 0.00 H new ATOM 0 HA ASN A 82 1.704 -5.216 -7.912 1.00 0.00 H new ATOM 0 HB2 ASN A 82 4.233 -4.549 -9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 82 3.234 -5.914 -9.871 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.234 -3.023 -11.931 1.00 0.00 H new ATOM 0 HD22 ASN A 82 3.762 -3.839 -11.581 1.00 0.00 H new ATOM 1391 N LYS A 83 4.658 -6.259 -6.857 1.00 0.00 N ATOM 1392 CA LYS A 83 5.388 -7.364 -6.213 1.00 0.00 C ATOM 1393 C LYS A 83 4.835 -7.633 -4.798 1.00 0.00 C ATOM 1394 O LYS A 83 4.663 -8.783 -4.405 1.00 0.00 O ATOM 1395 CB LYS A 83 6.884 -7.053 -6.146 1.00 0.00 C ATOM 1396 CG LYS A 83 7.596 -7.093 -7.491 1.00 0.00 C ATOM 1397 CD LYS A 83 7.716 -8.518 -8.011 1.00 0.00 C ATOM 1398 CE LYS A 83 8.466 -8.564 -9.334 1.00 0.00 C ATOM 1399 NZ LYS A 83 8.658 -9.958 -9.817 1.00 0.00 N ATOM 0 H LYS A 83 5.181 -5.384 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 83 5.245 -8.261 -6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.018 -6.064 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.361 -7.767 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.050 -6.485 -8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.589 -6.655 -7.392 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.234 -9.133 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.721 -8.945 -8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.916 -7.993 -10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.437 -8.084 -9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.173 -9.945 -10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.205 -10.496 -9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.731 -10.409 -9.954 1.00 0.00 H new ATOM 1413 N VAL A 84 4.498 -6.542 -4.085 1.00 0.00 N ATOM 1414 CA VAL A 84 4.025 -6.583 -2.687 1.00 0.00 C ATOM 1415 C VAL A 84 2.657 -7.289 -2.575 1.00 0.00 C ATOM 1416 O VAL A 84 2.515 -8.256 -1.824 1.00 0.00 O ATOM 1417 CB VAL A 84 3.910 -5.169 -2.090 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.179 -5.211 -0.756 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.288 -4.547 -1.919 1.00 0.00 C ATOM 0 H VAL A 84 4.547 -5.597 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 84 4.767 -7.149 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 84 3.336 -4.552 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.107 -4.203 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.178 -5.616 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.728 -5.845 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.186 -3.548 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.886 -5.165 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.781 -4.482 -2.889 1.00 0.00 H new ATOM 1429 N PHE A 85 1.678 -6.803 -3.356 1.00 0.00 N ATOM 1430 CA PHE A 85 0.297 -7.327 -3.336 1.00 0.00 C ATOM 1431 C PHE A 85 0.237 -8.771 -3.870 1.00 0.00 C ATOM 1432 O PHE A 85 -0.516 -9.595 -3.347 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.628 -6.424 -4.155 1.00 0.00 C ATOM 1434 CG PHE A 85 -1.029 -5.162 -3.445 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -1.832 -5.211 -2.316 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.604 -3.926 -3.905 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -2.204 -4.052 -1.662 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -0.974 -2.764 -3.253 1.00 0.00 C ATOM 1439 CZ PHE A 85 -1.773 -2.827 -2.132 1.00 0.00 C ATOM 0 H PHE A 85 1.818 -6.039 -4.017 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.040 -7.336 -2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.131 -6.162 -5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.526 -6.983 -4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.171 -6.166 -1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.023 -3.870 -4.782 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.831 -4.104 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.637 -1.807 -3.622 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.062 -1.920 -1.622 1.00 0.00 H new ATOM 1449 N ALA A 86 1.076 -9.070 -4.882 1.00 0.00 N ATOM 1450 CA ALA A 86 1.179 -10.418 -5.472 1.00 0.00 C ATOM 1451 C ALA A 86 1.724 -11.442 -4.450 1.00 0.00 C ATOM 1452 O ALA A 86 1.387 -12.631 -4.511 1.00 0.00 O ATOM 1453 CB ALA A 86 2.070 -10.386 -6.721 1.00 0.00 C ATOM 0 H ALA A 86 1.699 -8.386 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 86 0.176 -10.734 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.137 -11.388 -7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.640 -9.707 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.067 -10.040 -6.448 1.00 0.00 H new ATOM 1459 N GLU A 87 2.571 -10.959 -3.522 1.00 0.00 N ATOM 1460 CA GLU A 87 3.175 -11.779 -2.450 1.00 0.00 C ATOM 1461 C GLU A 87 2.231 -11.922 -1.231 1.00 0.00 C ATOM 1462 O GLU A 87 2.458 -12.782 -0.370 1.00 0.00 O ATOM 1463 CB GLU A 87 4.510 -11.175 -2.010 1.00 0.00 C ATOM 1464 CG GLU A 87 5.655 -11.403 -2.987 1.00 0.00 C ATOM 1465 CD GLU A 87 6.926 -10.766 -2.496 1.00 0.00 C ATOM 1466 OE1 GLU A 87 7.368 -11.112 -1.427 1.00 0.00 O ATOM 1467 OE2 GLU A 87 7.516 -10.017 -3.238 1.00 0.00 O ATOM 0 H GLU A 87 2.859 -9.981 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 87 3.344 -12.776 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.380 -10.103 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.784 -11.596 -1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.811 -12.473 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.392 -10.991 -3.961 1.00 0.00 H new ATOM 1474 N LEU A 88 1.172 -11.088 -1.166 1.00 0.00 N ATOM 1475 CA LEU A 88 0.236 -11.060 -0.014 1.00 0.00 C ATOM 1476 C LEU A 88 -1.089 -11.787 -0.345 1.00 0.00 C ATOM 1477 O LEU A 88 -1.912 -12.012 0.550 1.00 0.00 O ATOM 1478 CB LEU A 88 -0.042 -9.612 0.407 1.00 0.00 C ATOM 1479 CG LEU A 88 1.161 -8.855 0.983 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.792 -7.398 1.231 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.613 -9.525 2.271 1.00 0.00 C ATOM 0 H LEU A 88 0.940 -10.420 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 88 0.708 -11.588 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.414 -9.064 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.839 -9.614 1.150 1.00 0.00 H new ATOM 0 HG LEU A 88 1.983 -8.880 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.653 -6.869 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.493 -6.933 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.035 -7.348 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.468 -8.987 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.797 -9.513 2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.899 -10.556 2.064 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.289 -12.148 -1.626 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.468 -12.915 -2.050 1.00 0.00 C ATOM 1495 C GLY A 89 -3.558 -12.052 -2.676 1.00 0.00 C ATOM 1496 O GLY A 89 -4.718 -12.468 -2.775 1.00 0.00 O ATOM 0 H GLY A 89 -0.646 -11.919 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.159 -13.675 -2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.880 -13.440 -1.188 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.176 -10.836 -3.095 1.00 0.00 N ATOM 1501 CA TYR A 90 -4.071 -9.874 -3.771 1.00 0.00 C ATOM 1502 C TYR A 90 -3.907 -10.062 -5.284 1.00 0.00 C ATOM 1503 O TYR A 90 -2.777 -10.201 -5.768 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.757 -8.433 -3.366 1.00 0.00 C ATOM 1505 CG TYR A 90 -4.135 -8.100 -1.939 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.423 -7.696 -1.621 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -3.203 -8.189 -0.916 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -5.775 -7.391 -0.321 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -3.544 -7.888 0.389 1.00 0.00 C ATOM 1510 CZ TYR A 90 -4.832 -7.488 0.682 1.00 0.00 C ATOM 1511 OH TYR A 90 -5.177 -7.185 1.979 1.00 0.00 O ATOM 0 H TYR A 90 -2.226 -10.485 -2.974 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.102 -10.063 -3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.690 -8.253 -3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.282 -7.755 -4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.163 -7.619 -2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.194 -8.499 -1.143 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.783 -7.078 -0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.807 -7.965 1.175 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.398 -7.306 2.561 1.00 0.00 H new ATOM 1521 N ASN A 91 -5.032 -10.066 -6.014 1.00 0.00 N ATOM 1522 CA ASN A 91 -5.046 -10.238 -7.482 1.00 0.00 C ATOM 1523 C ASN A 91 -4.809 -8.900 -8.211 1.00 0.00 C ATOM 1524 O ASN A 91 -5.300 -7.854 -7.776 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.346 -10.864 -7.954 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.348 -11.228 -9.412 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -6.393 -10.359 -10.290 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -6.382 -12.510 -9.674 1.00 0.00 N ATOM 0 H ASN A 91 -5.960 -9.950 -5.607 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.227 -10.913 -7.730 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.542 -11.760 -7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.164 -10.170 -7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.449 -12.832 -10.640 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.342 -13.187 -8.912 1.00 0.00 H new ATOM 1535 N ASP A 92 -4.064 -8.957 -9.332 1.00 0.00 N ATOM 1536 CA ASP A 92 -3.710 -7.772 -10.150 1.00 0.00 C ATOM 1537 C ASP A 92 -4.951 -6.917 -10.510 1.00 0.00 C ATOM 1538 O ASP A 92 -4.910 -5.685 -10.434 1.00 0.00 O ATOM 1539 CB ASP A 92 -2.989 -8.208 -11.429 1.00 0.00 C ATOM 1540 CG ASP A 92 -1.567 -8.707 -11.211 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.052 -8.522 -10.133 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -1.067 -9.402 -12.062 1.00 0.00 O ATOM 0 H ASP A 92 -3.687 -9.830 -9.701 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.046 -7.151 -9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.569 -8.998 -11.907 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.964 -7.367 -12.122 1.00 0.00 H new ATOM 1547 N SER A 93 -6.038 -7.604 -10.923 1.00 0.00 N ATOM 1548 CA SER A 93 -7.306 -6.969 -11.356 1.00 0.00 C ATOM 1549 C SER A 93 -8.003 -6.219 -10.204 1.00 0.00 C ATOM 1550 O SER A 93 -8.731 -5.247 -10.433 1.00 0.00 O ATOM 1551 CB SER A 93 -8.240 -8.015 -11.934 1.00 0.00 C ATOM 1552 OG SER A 93 -8.707 -8.902 -10.955 1.00 0.00 O ATOM 0 H SER A 93 -6.062 -8.623 -10.966 1.00 0.00 H new ATOM 0 HA SER A 93 -7.058 -6.234 -12.122 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.088 -7.521 -12.409 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.720 -8.575 -12.712 1.00 0.00 H new ATOM 0 HG SER A 93 -7.969 -9.469 -10.649 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.751 -6.693 -8.970 1.00 0.00 N ATOM 1559 CA ASN A 94 -8.274 -6.074 -7.736 1.00 0.00 C ATOM 1560 C ASN A 94 -7.529 -4.760 -7.421 1.00 0.00 C ATOM 1561 O ASN A 94 -7.909 -4.034 -6.508 1.00 0.00 O ATOM 1562 CB ASN A 94 -8.188 -7.024 -6.557 1.00 0.00 C ATOM 1563 CG ASN A 94 -9.186 -8.147 -6.610 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -10.176 -8.090 -7.349 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -8.976 -9.129 -5.770 1.00 0.00 N ATOM 0 H ASN A 94 -7.177 -7.519 -8.799 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.326 -5.846 -7.907 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.183 -7.445 -6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.338 -6.460 -5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.646 -9.895 -5.703 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.142 -9.128 -5.182 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.475 -4.478 -8.207 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.625 -3.286 -8.058 1.00 0.00 C ATOM 1574 C VAL A 95 -5.980 -2.275 -9.173 1.00 0.00 C ATOM 1575 O VAL A 95 -5.888 -2.611 -10.355 1.00 0.00 O ATOM 1576 CB VAL A 95 -4.126 -3.635 -8.126 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.280 -2.379 -7.977 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.765 -4.649 -7.050 1.00 0.00 C ATOM 0 H VAL A 95 -6.186 -5.083 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.813 -2.852 -7.076 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.920 -4.078 -9.100 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.224 -2.644 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.518 -1.682 -8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.491 -1.910 -7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.702 -4.884 -7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.987 -4.232 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.347 -5.559 -7.197 1.00 0.00 H new ATOM 1588 N THR A 96 -6.446 -1.068 -8.799 1.00 0.00 N ATOM 1589 CA THR A 96 -6.822 -0.013 -9.772 1.00 0.00 C ATOM 1590 C THR A 96 -6.096 1.309 -9.439 1.00 0.00 C ATOM 1591 O THR A 96 -6.124 1.751 -8.294 1.00 0.00 O ATOM 1592 CB THR A 96 -8.342 0.233 -9.791 1.00 0.00 C ATOM 1593 OG1 THR A 96 -9.020 -0.977 -10.153 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.692 1.325 -10.790 1.00 0.00 C ATOM 0 H THR A 96 -6.573 -0.794 -7.825 1.00 0.00 H new ATOM 0 HA THR A 96 -6.519 -0.363 -10.759 1.00 0.00 H new ATOM 0 HB THR A 96 -8.657 0.550 -8.797 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.987 -0.820 -10.163 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.770 1.486 -10.790 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.187 2.250 -10.510 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.370 1.023 -11.787 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.468 1.932 -10.449 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.799 3.241 -10.307 1.00 0.00 C ATOM 1604 C TRP A 97 -5.671 4.363 -10.909 1.00 0.00 C ATOM 1605 O TRP A 97 -6.130 4.247 -12.053 1.00 0.00 O ATOM 1606 CB TRP A 97 -3.425 3.219 -10.981 1.00 0.00 C ATOM 1607 CG TRP A 97 -2.399 2.433 -10.222 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -2.164 1.094 -10.317 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.470 2.937 -9.254 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -1.147 0.731 -9.469 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.703 1.847 -8.805 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -1.213 4.208 -8.724 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.297 1.983 -7.856 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 -0.210 4.345 -7.773 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.525 3.264 -7.351 1.00 0.00 C ATOM 0 H TRP A 97 -5.408 1.544 -11.390 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.661 3.440 -9.244 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.527 2.798 -11.981 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -3.071 4.243 -11.100 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -2.700 0.417 -10.965 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.781 -0.214 -9.352 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.784 5.065 -9.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 0.875 1.134 -7.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -0.004 5.320 -7.357 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.298 3.409 -6.611 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.869 5.435 -10.122 1.00 0.00 N ATOM 1627 CA ASP A 98 -6.631 6.634 -10.523 1.00 0.00 C ATOM 1628 C ASP A 98 -6.091 7.855 -9.759 1.00 0.00 C ATOM 1629 O ASP A 98 -6.323 7.981 -8.550 1.00 0.00 O ATOM 1630 CB ASP A 98 -8.127 6.451 -10.254 1.00 0.00 C ATOM 1631 CG ASP A 98 -8.995 7.612 -10.720 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -8.450 8.611 -11.125 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -10.187 7.436 -10.814 1.00 0.00 O ATOM 0 H ASP A 98 -5.499 5.495 -9.174 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.506 6.791 -11.594 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.464 5.540 -10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.277 6.308 -9.184 1.00 0.00 H new ATOM 1638 N GLY A 99 -5.369 8.735 -10.482 1.00 0.00 N ATOM 1639 CA GLY A 99 -4.848 9.989 -9.934 1.00 0.00 C ATOM 1640 C GLY A 99 -3.649 9.790 -9.019 1.00 0.00 C ATOM 1641 O GLY A 99 -3.639 10.285 -7.885 1.00 0.00 O ATOM 0 H GLY A 99 -5.134 8.589 -11.464 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.565 10.647 -10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.640 10.493 -9.380 1.00 0.00 H new ATOM 1645 N ASP A 100 -2.642 9.038 -9.532 1.00 0.00 N ATOM 1646 CA ASP A 100 -1.392 8.619 -8.819 1.00 0.00 C ATOM 1647 C ASP A 100 -1.656 7.961 -7.440 1.00 0.00 C ATOM 1648 O ASP A 100 -0.767 7.857 -6.588 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.464 9.823 -8.634 1.00 0.00 C ATOM 1650 CG ASP A 100 0.183 10.321 -9.920 1.00 0.00 C ATOM 1651 OD1 ASP A 100 0.171 9.598 -10.887 1.00 0.00 O ATOM 1652 OD2 ASP A 100 0.543 11.473 -9.972 1.00 0.00 O ATOM 0 H ASP A 100 -2.673 8.690 -10.490 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.923 7.863 -9.449 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.032 10.639 -8.188 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.321 9.556 -7.926 1.00 0.00 H new ATOM 1657 N THR A 101 -2.885 7.449 -7.287 1.00 0.00 N ATOM 1658 CA THR A 101 -3.404 6.836 -6.059 1.00 0.00 C ATOM 1659 C THR A 101 -3.954 5.450 -6.419 1.00 0.00 C ATOM 1660 O THR A 101 -4.653 5.318 -7.419 1.00 0.00 O ATOM 1661 CB THR A 101 -4.506 7.683 -5.398 1.00 0.00 C ATOM 1662 OG1 THR A 101 -4.035 9.024 -5.212 1.00 0.00 O ATOM 1663 CG2 THR A 101 -4.895 7.094 -4.051 1.00 0.00 C ATOM 0 H THR A 101 -3.569 7.451 -8.043 1.00 0.00 H new ATOM 0 HA THR A 101 -2.592 6.763 -5.336 1.00 0.00 H new ATOM 0 HB THR A 101 -5.381 7.685 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.900 9.447 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.675 7.706 -3.598 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.266 6.079 -4.191 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.023 7.075 -3.397 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.649 4.420 -5.624 1.00 0.00 N ATOM 1672 CA VAL A 102 -4.036 3.040 -5.959 1.00 0.00 C ATOM 1673 C VAL A 102 -5.117 2.574 -4.964 1.00 0.00 C ATOM 1674 O VAL A 102 -4.983 2.741 -3.750 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.837 2.075 -5.916 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.272 1.989 -4.507 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.247 0.695 -6.410 1.00 0.00 C ATOM 0 H VAL A 102 -3.137 4.512 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.421 3.030 -6.979 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.060 2.462 -6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.425 1.303 -4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.942 2.977 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.043 1.626 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.388 0.025 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.041 0.302 -5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.606 0.768 -7.436 1.00 0.00 H new ATOM 1687 N THR A 103 -6.215 2.047 -5.499 1.00 0.00 N ATOM 1688 CA THR A 103 -7.298 1.458 -4.721 1.00 0.00 C ATOM 1689 C THR A 103 -7.275 -0.057 -4.968 1.00 0.00 C ATOM 1690 O THR A 103 -7.323 -0.500 -6.119 1.00 0.00 O ATOM 1691 CB THR A 103 -8.675 2.035 -5.098 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.694 3.444 -4.831 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.776 1.356 -4.299 1.00 0.00 C ATOM 0 H THR A 103 -6.379 2.017 -6.505 1.00 0.00 H new ATOM 0 HA THR A 103 -7.145 1.691 -3.667 1.00 0.00 H new ATOM 0 HB THR A 103 -8.849 1.856 -6.159 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.570 3.811 -5.073 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.742 1.777 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.772 0.287 -4.510 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.605 1.517 -3.235 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.132 -0.832 -3.887 1.00 0.00 N ATOM 1702 CA VAL A 104 -6.974 -2.293 -3.948 1.00 0.00 C ATOM 1703 C VAL A 104 -8.035 -2.931 -3.064 1.00 0.00 C ATOM 1704 O VAL A 104 -8.196 -2.535 -1.919 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.576 -2.753 -3.491 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.465 -4.269 -3.564 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.497 -2.099 -4.339 1.00 0.00 C ATOM 0 H VAL A 104 -7.122 -0.462 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.090 -2.604 -4.986 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.433 -2.446 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.472 -4.577 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.216 -4.720 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.628 -4.597 -4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.516 -2.435 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.637 -2.377 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.563 -1.016 -4.240 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.771 -3.896 -3.597 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.793 -4.628 -2.831 1.00 0.00 C ATOM 1719 C GLU A 105 -9.365 -6.092 -2.671 1.00 0.00 C ATOM 1720 O GLU A 105 -8.701 -6.656 -3.544 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.158 -4.540 -3.517 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.751 -3.140 -3.561 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.119 -3.145 -4.182 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.558 -4.190 -4.598 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.774 -2.129 -4.140 1.00 0.00 O ATOM 0 H GLU A 105 -8.684 -4.199 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.886 -4.172 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.063 -4.913 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.854 -5.200 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.810 -2.736 -2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.094 -2.482 -4.130 1.00 0.00 H new ATOM 1732 N GLY A 106 -9.702 -6.684 -1.527 1.00 0.00 N ATOM 1733 CA GLY A 106 -9.402 -8.090 -1.264 1.00 0.00 C ATOM 1734 C GLY A 106 -10.306 -8.635 -0.184 1.00 0.00 C ATOM 1735 O GLY A 106 -11.057 -7.864 0.428 1.00 0.00 O ATOM 0 H GLY A 106 -10.185 -6.209 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.527 -8.671 -2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.360 -8.194 -0.960 1.00 0.00 H new ATOM 1739 N GLN A 107 -10.250 -9.961 0.043 1.00 0.00 N ATOM 1740 CA GLN A 107 -11.075 -10.630 1.057 1.00 0.00 C ATOM 1741 C GLN A 107 -10.344 -10.528 2.412 1.00 0.00 C ATOM 1742 O GLN A 107 -9.139 -10.689 2.473 1.00 0.00 O ATOM 1743 CB GLN A 107 -11.326 -12.095 0.688 1.00 0.00 C ATOM 1744 CG GLN A 107 -12.180 -12.851 1.690 1.00 0.00 C ATOM 1745 CD GLN A 107 -12.502 -14.260 1.231 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -12.268 -14.619 0.073 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -13.046 -15.068 2.134 1.00 0.00 N ATOM 0 H GLN A 107 -9.634 -10.592 -0.470 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.049 -10.144 1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.810 -12.135 -0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -10.367 -12.603 0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.660 -12.894 2.647 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.109 -12.305 1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.222 -14.730 3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.287 -16.026 1.881 1.00 0.00 H new ATOM 1756 N LEU A 108 -11.099 -10.231 3.481 1.00 0.00 N ATOM 1757 CA LEU A 108 -10.564 -10.075 4.856 1.00 0.00 C ATOM 1758 C LEU A 108 -10.153 -11.456 5.417 1.00 0.00 C ATOM 1759 O LEU A 108 -10.941 -12.409 5.341 1.00 0.00 O ATOM 1760 CB LEU A 108 -11.653 -9.361 5.731 1.00 0.00 C ATOM 1761 CG LEU A 108 -11.321 -8.968 7.212 1.00 0.00 C ATOM 1762 CD1 LEU A 108 -11.557 -10.117 8.213 1.00 0.00 C ATOM 1763 CD2 LEU A 108 -9.899 -8.384 7.317 1.00 0.00 C ATOM 0 H LEU A 108 -12.107 -10.090 3.422 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.666 -9.457 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.944 -8.449 5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.529 -10.009 5.754 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.026 -8.188 7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.309 -9.780 9.219 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.604 -10.419 8.180 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.926 -10.965 7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.690 -8.118 8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.175 -9.126 6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.824 -7.494 6.692 1.00 0.00 H new ATOM 1775 N GLU A 109 -8.906 -11.532 5.956 1.00 0.00 N ATOM 1776 CA GLU A 109 -8.336 -12.739 6.605 1.00 0.00 C ATOM 1777 C GLU A 109 -7.950 -13.774 5.529 1.00 0.00 C ATOM 1778 O GLU A 109 -6.761 -14.042 5.311 1.00 0.00 O ATOM 1779 CB GLU A 109 -9.328 -13.348 7.598 1.00 0.00 C ATOM 1780 CG GLU A 109 -8.784 -14.534 8.382 1.00 0.00 C ATOM 1781 CD GLU A 109 -9.800 -15.053 9.362 1.00 0.00 C ATOM 1782 OE1 GLU A 109 -10.877 -14.511 9.415 1.00 0.00 O ATOM 1783 OE2 GLU A 109 -9.541 -16.060 9.977 1.00 0.00 O ATOM 0 H GLU A 109 -8.261 -10.742 5.950 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.444 -12.447 7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.640 -12.576 8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.219 -13.664 7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.501 -15.329 7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.880 -14.237 8.914 1.00 0.00 H new ATOM 1790 N GLY A 110 -8.965 -14.329 4.841 1.00 0.00 N ATOM 1791 CA GLY A 110 -8.745 -15.266 3.740 1.00 0.00 C ATOM 1792 C GLY A 110 -8.409 -14.535 2.448 1.00 0.00 C ATOM 1793 O GLY A 110 -9.191 -14.565 1.495 1.00 0.00 O ATOM 0 H GLY A 110 -9.948 -14.139 5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.933 -15.947 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.637 -15.874 3.594 1.00 0.00 H new ATOM 1797 N VAL A 111 -7.229 -13.872 2.441 1.00 0.00 N ATOM 1798 CA VAL A 111 -6.759 -13.047 1.311 1.00 0.00 C ATOM 1799 C VAL A 111 -6.320 -13.919 0.104 1.00 0.00 C ATOM 1800 O VAL A 111 -5.144 -14.216 -0.089 1.00 0.00 O ATOM 1801 CB VAL A 111 -5.586 -12.143 1.732 1.00 0.00 C ATOM 1802 CG1 VAL A 111 -5.170 -11.240 0.581 1.00 0.00 C ATOM 1803 CG2 VAL A 111 -5.963 -11.312 2.950 1.00 0.00 C ATOM 0 H VAL A 111 -6.576 -13.897 3.224 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.603 -12.427 1.007 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.740 -12.778 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.340 -10.608 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.860 -11.851 -0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.012 -10.613 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.122 -10.679 3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.823 -10.687 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.214 -11.974 3.779 1.00 0.00 H new ATOM 1813 N ASP A 112 -7.328 -14.340 -0.685 1.00 0.00 N ATOM 1814 CA ASP A 112 -7.159 -15.153 -1.906 1.00 0.00 C ATOM 1815 C ASP A 112 -8.502 -15.226 -2.637 1.00 0.00 C ATOM 1816 O ASP A 112 -9.559 -15.020 -2.021 1.00 0.00 O ATOM 1817 CB ASP A 112 -6.650 -16.559 -1.574 1.00 0.00 C ATOM 1818 CG ASP A 112 -6.062 -17.311 -2.761 1.00 0.00 C ATOM 1819 OD1 ASP A 112 -6.145 -16.810 -3.858 1.00 0.00 O ATOM 1820 OD2 ASP A 112 -5.401 -18.298 -2.544 1.00 0.00 O ATOM 0 H ASP A 112 -8.304 -14.120 -0.487 1.00 0.00 H new ATOM 0 HA ASP A 112 -6.413 -14.683 -2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.891 -16.483 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.473 -17.142 -1.161 1.00 0.00 H new ATOM 1825 N LEU A 113 -8.457 -15.508 -3.948 1.00 0.00 N ATOM 1826 CA LEU A 113 -9.656 -15.753 -4.772 1.00 0.00 C ATOM 1827 C LEU A 113 -9.779 -17.258 -5.091 1.00 0.00 C ATOM 1828 O LEU A 113 -10.881 -17.769 -5.295 1.00 0.00 O ATOM 1829 CB LEU A 113 -9.599 -14.927 -6.063 1.00 0.00 C ATOM 1830 CG LEU A 113 -9.522 -13.408 -5.865 1.00 0.00 C ATOM 1831 CD1 LEU A 113 -9.423 -12.710 -7.215 1.00 0.00 C ATOM 1832 CD2 LEU A 113 -10.747 -12.932 -5.100 1.00 0.00 C ATOM 0 H LEU A 113 -7.584 -15.573 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 113 -10.538 -15.443 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -8.732 -15.246 -6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -10.482 -15.155 -6.660 1.00 0.00 H new ATOM 0 HG LEU A 113 -8.631 -13.161 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.369 -11.632 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -8.527 -13.049 -7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -10.302 -12.949 -7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -10.692 -11.852 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -11.647 -13.179 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -10.782 -13.423 -4.127 1.00 0.00 H new ATOM 1844 N GLU A 114 -8.622 -17.955 -5.108 1.00 0.00 N ATOM 1845 CA GLU A 114 -8.543 -19.401 -5.395 1.00 0.00 C ATOM 1846 C GLU A 114 -8.543 -20.239 -4.101 1.00 0.00 C ATOM 1847 O GLU A 114 -7.499 -20.723 -3.648 1.00 0.00 O ATOM 1848 CB GLU A 114 -7.291 -19.713 -6.218 1.00 0.00 C ATOM 1849 CG GLU A 114 -7.241 -19.019 -7.573 1.00 0.00 C ATOM 1850 CD GLU A 114 -5.975 -19.355 -8.311 1.00 0.00 C ATOM 1851 OE1 GLU A 114 -5.178 -20.093 -7.782 1.00 0.00 O ATOM 1852 OE2 GLU A 114 -5.853 -18.965 -9.448 1.00 0.00 O ATOM 0 H GLU A 114 -7.715 -17.528 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.429 -19.670 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.411 -19.424 -5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.231 -20.790 -6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.103 -19.318 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.308 -17.940 -7.434 1.00 0.00 H new ATOM 1859 N HIS A 115 -9.734 -20.390 -3.506 1.00 0.00 N ATOM 1860 CA HIS A 115 -9.933 -21.155 -2.260 1.00 0.00 C ATOM 1861 C HIS A 115 -10.164 -22.650 -2.596 1.00 0.00 C ATOM 1862 O HIS A 115 -11.269 -23.185 -2.450 1.00 0.00 O ATOM 1863 CB HIS A 115 -11.111 -20.600 -1.454 1.00 0.00 C ATOM 1864 CG HIS A 115 -10.905 -19.196 -0.977 1.00 0.00 C ATOM 1865 ND1 HIS A 115 -9.960 -18.863 -0.030 1.00 0.00 N ATOM 1866 CD2 HIS A 115 -11.522 -18.038 -1.316 1.00 0.00 C ATOM 1867 CE1 HIS A 115 -10.003 -17.562 0.194 1.00 0.00 C ATOM 1868 NE2 HIS A 115 -10.942 -17.039 -0.574 1.00 0.00 N ATOM 0 H HIS A 115 -10.594 -19.984 -3.875 1.00 0.00 H new ATOM 0 HA HIS A 115 -9.036 -21.059 -1.648 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -12.010 -20.637 -2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -11.287 -21.245 -0.593 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -12.320 -17.923 -2.035 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.377 -17.019 0.887 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -11.195 -16.052 -0.610 1.00 0.00 H new ATOM 1876 N HIS A 116 -9.087 -23.314 -3.055 1.00 0.00 N ATOM 1877 CA HIS A 116 -9.113 -24.755 -3.392 1.00 0.00 C ATOM 1878 C HIS A 116 -9.080 -25.644 -2.137 1.00 0.00 C ATOM 1879 O HIS A 116 -8.299 -25.401 -1.217 1.00 0.00 O ATOM 1880 CB HIS A 116 -7.938 -25.115 -4.308 1.00 0.00 C ATOM 1881 CG HIS A 116 -8.058 -24.553 -5.690 1.00 0.00 C ATOM 1882 ND1 HIS A 116 -8.888 -25.100 -6.646 1.00 0.00 N ATOM 1883 CD2 HIS A 116 -7.455 -23.493 -6.277 1.00 0.00 C ATOM 1884 CE1 HIS A 116 -8.790 -24.399 -7.762 1.00 0.00 C ATOM 1885 NE2 HIS A 116 -7.927 -23.420 -7.564 1.00 0.00 N ATOM 0 H HIS A 116 -8.179 -22.873 -3.203 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.052 -24.943 -3.912 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -7.014 -24.754 -3.857 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -7.858 -26.200 -4.372 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -9.484 -25.917 -6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -6.737 -22.829 -5.819 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -9.325 -24.594 -8.680 1.00 0.00 H new ATOM 1893 N HIS A 117 -9.942 -26.673 -2.128 1.00 0.00 N ATOM 1894 CA HIS A 117 -10.073 -27.632 -1.016 1.00 0.00 C ATOM 1895 C HIS A 117 -10.217 -29.047 -1.604 1.00 0.00 C ATOM 1896 O HIS A 117 -11.278 -29.679 -1.495 1.00 0.00 O ATOM 1897 CB HIS A 117 -11.272 -27.296 -0.123 1.00 0.00 C ATOM 1898 CG HIS A 117 -11.235 -25.906 0.435 1.00 0.00 C ATOM 1899 ND1 HIS A 117 -10.406 -25.547 1.477 1.00 0.00 N ATOM 1900 CD2 HIS A 117 -11.922 -24.791 0.098 1.00 0.00 C ATOM 1901 CE1 HIS A 117 -10.586 -24.267 1.756 1.00 0.00 C ATOM 1902 NE2 HIS A 117 -11.501 -23.787 0.934 1.00 0.00 N ATOM 0 H HIS A 117 -10.577 -26.866 -2.903 1.00 0.00 H new ATOM 0 HA HIS A 117 -9.183 -27.576 -0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -12.189 -27.423 -0.698 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -11.311 -28.008 0.701 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -12.663 -24.706 -0.683 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -10.072 -23.709 2.525 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -11.840 -22.825 0.922 1.00 0.00 H new ATOM 1910 N HIS A 118 -9.149 -29.514 -2.273 1.00 0.00 N ATOM 1911 CA HIS A 118 -9.112 -30.831 -2.934 1.00 0.00 C ATOM 1912 C HIS A 118 -8.447 -31.864 -2.005 1.00 0.00 C ATOM 1913 O HIS A 118 -7.372 -31.609 -1.450 1.00 0.00 O ATOM 1914 CB HIS A 118 -8.363 -30.756 -4.269 1.00 0.00 C ATOM 1915 CG HIS A 118 -8.949 -29.771 -5.231 1.00 0.00 C ATOM 1916 ND1 HIS A 118 -10.137 -29.996 -5.896 1.00 0.00 N ATOM 1917 CD2 HIS A 118 -8.511 -28.558 -5.644 1.00 0.00 C ATOM 1918 CE1 HIS A 118 -10.403 -28.962 -6.675 1.00 0.00 C ATOM 1919 NE2 HIS A 118 -9.433 -28.077 -6.540 1.00 0.00 N ATOM 0 H HIS A 118 -8.282 -28.986 -2.371 1.00 0.00 H new ATOM 0 HA HIS A 118 -10.136 -31.142 -3.140 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -7.323 -30.490 -4.078 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -8.360 -31.744 -4.730 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -10.718 -30.829 -5.801 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -7.605 -28.062 -5.328 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -11.268 -28.859 -7.314 1.00 0.00 H new ATOM 1927 N HIS A 119 -9.115 -33.010 -1.802 1.00 0.00 N ATOM 1928 CA HIS A 119 -8.596 -34.086 -0.939 1.00 0.00 C ATOM 1929 C HIS A 119 -7.236 -34.572 -1.483 1.00 0.00 C ATOM 1930 O HIS A 119 -7.156 -35.001 -2.642 1.00 0.00 O ATOM 1931 CB HIS A 119 -9.586 -35.251 -0.852 1.00 0.00 C ATOM 1932 CG HIS A 119 -9.129 -36.365 0.039 1.00 0.00 C ATOM 1933 ND1 HIS A 119 -9.025 -36.227 1.406 1.00 0.00 N ATOM 1934 CD2 HIS A 119 -8.749 -37.632 -0.243 1.00 0.00 C ATOM 1935 CE1 HIS A 119 -8.600 -37.364 1.928 1.00 0.00 C ATOM 1936 NE2 HIS A 119 -8.425 -38.233 0.948 1.00 0.00 N ATOM 0 H HIS A 119 -10.020 -33.217 -2.225 1.00 0.00 H new ATOM 0 HA HIS A 119 -8.462 -33.691 0.068 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -10.543 -34.876 -0.489 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -9.758 -35.646 -1.853 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -8.708 -38.086 -1.222 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -8.425 -37.551 2.977 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -8.102 -39.194 1.058 1.00 0.00 H new ATOM 1944 N HIS A 120 -6.182 -34.474 -0.635 1.00 0.00 N ATOM 1945 CA HIS A 120 -4.797 -34.883 -0.972 1.00 0.00 C ATOM 1946 C HIS A 120 -4.356 -34.190 -2.304 1.00 0.00 C ATOM 1947 O HIS A 120 -4.400 -34.820 -3.378 1.00 0.00 O ATOM 1948 CB HIS A 120 -4.691 -36.407 -1.096 1.00 0.00 C ATOM 1949 CG HIS A 120 -4.862 -37.129 0.205 1.00 0.00 C ATOM 1950 ND1 HIS A 120 -4.994 -38.500 0.282 1.00 0.00 N ATOM 1951 CD2 HIS A 120 -4.925 -36.673 1.478 1.00 0.00 C ATOM 1952 CE1 HIS A 120 -5.129 -38.855 1.548 1.00 0.00 C ATOM 1953 NE2 HIS A 120 -5.090 -37.765 2.292 1.00 0.00 N ATOM 1954 OXT HIS A 120 -3.975 -33.052 -2.290 1.00 0.00 O ATOM 0 H HIS A 120 -6.272 -34.105 0.312 1.00 0.00 H new ATOM 0 HA HIS A 120 -4.132 -34.568 -0.168 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -5.446 -36.759 -1.799 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -3.719 -36.662 -1.518 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -4.858 -35.642 1.794 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -5.250 -39.865 1.912 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -5.170 -37.739 3.309 1.00 0.00 H new TER 1962 HIS A 120