USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 934 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 31 HIS : no HE2:sc= -0.912 K(o=-2.9,f=-13!) USER MOD Set 1.2: A 33 CYS SG : rot 86:sc= -2.03! USER MOD Single : A 8 LYS NZ :NH3+ 150:sc= 0.0577 (180deg=-0.244) USER MOD Single : A 9 LYS NZ :NH3+ -140:sc= 0.0511 (180deg=-0.298) USER MOD Single : A 12 HIS : no HD1:sc= -0.156 K(o=-0.16,f=-0.81) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0311 (180deg=-0.345) USER MOD Single : A 14 GLN : amide:sc= 0.243 K(o=0.24,f=-0.8) USER MOD Single : A 15 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.022) USER MOD Single : A 19 TYR OH : rot 130:sc= 0 USER MOD Single : A 20 MET CE :methyl -107:sc= -0.217 (180deg=-1.78) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.663 K(o=-0.66,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -1.18 (180deg=-1.67) USER MOD Single : A 29 THR OG1 : rot 127:sc= 0.0332 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 41:sc= 0.212 USER MOD Single : A 43 SER OG : rot 159:sc= -1.08 USER MOD Single : A 48 GLN : amide:sc= -0.0788 K(o=-0.079,f=-0.76) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.07 USER MOD Single : A 50 MET CE :methyl -162:sc= -0.0972 (180deg=-0.582) USER MOD Single : A 54 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.31) USER MOD Single : A 58 SER OG : rot 180:sc= -0.238 USER MOD Single : A 60 CYS SG : rot 50:sc= -0.172 USER MOD Single : A 67 ASN : amide:sc= -1.05 K(o=-1,f=-0.016) USER MOD Single : A 68 THR OG1 : rot 63:sc= 0.343 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.273 K(o=-0.27,f=-1.3) USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= -0.457 (180deg=-0.567) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc=-0.00564 (180deg=-0.17) USER MOD Single : A 79 ASN : amide:sc= 0.0656 K(o=0.066,f=-1.2) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 74:sc= 0.0567 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -1.62 K(o=-1.6,f=-0.14) USER MOD Single : A 92 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.017) USER MOD Single : A 101 THR OG1 : rot 110:sc= 0.029 USER MOD Single : A 112 GLN : amide:sc= -4.76! K(o=-4.8!,f=-3) USER MOD Single : A 113 SER OG : rot 160:sc= 0 USER MOD Single : A 118 THR OG1 : rot -64:sc= -0.379 USER MOD Single : A 120 LYS NZ :NH3+ 166:sc= -0.0361 (180deg=-0.272) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 164:sc= -0.041 (180deg=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 8 -8.961 26.282 -5.295 1.00 0.00 N ATOM 2 CA LYS A 8 -7.853 26.469 -4.323 1.00 0.00 C ATOM 3 C LYS A 8 -7.235 25.128 -3.939 1.00 0.00 C ATOM 4 O LYS A 8 -7.900 24.272 -3.355 1.00 0.00 O ATOM 5 CB LYS A 8 -8.367 27.181 -3.068 1.00 0.00 C ATOM 6 CG LYS A 8 -7.287 27.456 -2.034 1.00 0.00 C ATOM 7 CD LYS A 8 -6.232 28.412 -2.565 1.00 0.00 C ATOM 8 CE LYS A 8 -5.160 28.695 -1.524 1.00 0.00 C ATOM 9 NZ LYS A 8 -4.452 27.455 -1.104 1.00 0.00 N ATOM 0 HA LYS A 8 -7.086 27.082 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.827 28.125 -3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.148 26.574 -2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.741 27.877 -1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.815 26.518 -1.743 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.771 27.988 -3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.705 29.347 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.439 29.405 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.615 29.166 -0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.475 27.688 -0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.945 27.032 -0.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.440 26.778 -1.893 1.00 0.00 H new ATOM 23 N LYS A 9 -5.960 24.954 -4.272 1.00 0.00 N ATOM 24 CA LYS A 9 -5.252 23.717 -3.962 1.00 0.00 C ATOM 25 C LYS A 9 -4.569 23.808 -2.601 1.00 0.00 C ATOM 26 O LYS A 9 -3.759 24.704 -2.361 1.00 0.00 O ATOM 27 CB LYS A 9 -4.216 23.414 -5.048 1.00 0.00 C ATOM 28 CG LYS A 9 -3.462 22.113 -4.824 1.00 0.00 C ATOM 29 CD LYS A 9 -2.442 21.863 -5.924 1.00 0.00 C ATOM 30 CE LYS A 9 -1.687 20.563 -5.699 1.00 0.00 C ATOM 31 NZ LYS A 9 -0.952 20.564 -4.404 1.00 0.00 N ATOM 0 H LYS A 9 -5.396 25.653 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.981 22.907 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.717 23.372 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.501 24.235 -5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.957 22.146 -3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.168 21.284 -4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.947 21.829 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.736 22.693 -5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.388 19.728 -5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.983 20.406 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.022 20.116 -4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.822 21.543 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.497 20.034 -3.695 1.00 0.00 H new ATOM 45 N ASP A 10 -4.903 22.876 -1.714 1.00 0.00 N ATOM 46 CA ASP A 10 -4.323 22.851 -0.376 1.00 0.00 C ATOM 47 C ASP A 10 -3.902 21.435 0.007 1.00 0.00 C ATOM 48 O ASP A 10 -3.051 21.244 0.875 1.00 0.00 O ATOM 49 CB ASP A 10 -5.325 23.392 0.646 1.00 0.00 C ATOM 50 CG ASP A 10 -4.764 23.404 2.055 1.00 0.00 C ATOM 51 OD1 ASP A 10 -4.927 22.391 2.768 1.00 0.00 O ATOM 52 OD2 ASP A 10 -4.163 24.426 2.446 1.00 0.00 O ATOM 0 H ASP A 10 -5.572 22.128 -1.898 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.437 23.486 -0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.616 24.404 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.228 22.783 0.623 1.00 0.00 H new ATOM 57 N GLU A 11 -4.503 20.447 -0.649 1.00 0.00 N ATOM 58 CA GLU A 11 -4.190 19.048 -0.378 1.00 0.00 C ATOM 59 C GLU A 11 -2.761 18.720 -0.797 1.00 0.00 C ATOM 60 O GLU A 11 -2.360 18.985 -1.931 1.00 0.00 O ATOM 61 CB GLU A 11 -5.174 18.134 -1.111 1.00 0.00 C ATOM 62 CG GLU A 11 -4.945 16.655 -0.845 1.00 0.00 C ATOM 63 CD GLU A 11 -5.932 15.770 -1.584 1.00 0.00 C ATOM 64 OE1 GLU A 11 -7.006 15.478 -1.019 1.00 0.00 O ATOM 65 OE2 GLU A 11 -5.629 15.371 -2.728 1.00 0.00 O ATOM 0 H GLU A 11 -5.209 20.589 -1.371 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.281 18.881 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.190 18.395 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.098 18.318 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.931 16.389 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.024 16.466 0.226 1.00 0.00 H new ATOM 72 N HIS A 12 -1.998 18.141 0.125 1.00 0.00 N ATOM 73 CA HIS A 12 -0.612 17.775 -0.147 1.00 0.00 C ATOM 74 C HIS A 12 -0.504 16.303 -0.530 1.00 0.00 C ATOM 75 O HIS A 12 -1.215 15.457 0.012 1.00 0.00 O ATOM 76 CB HIS A 12 0.261 18.065 1.075 1.00 0.00 C ATOM 77 CG HIS A 12 1.715 17.781 0.856 1.00 0.00 C ATOM 78 ND1 HIS A 12 2.347 16.662 1.354 1.00 0.00 N ATOM 79 CD2 HIS A 12 2.663 18.481 0.188 1.00 0.00 C ATOM 80 CE1 HIS A 12 3.621 16.685 1.005 1.00 0.00 C ATOM 81 NE2 HIS A 12 3.838 17.778 0.296 1.00 0.00 N ATOM 0 H HIS A 12 -2.316 17.915 1.067 1.00 0.00 H new ATOM 0 HA HIS A 12 -0.260 18.375 -0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.142 19.112 1.355 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -0.095 17.468 1.915 1.00 0.00 H new ATOM 0 HD2 HIS A 12 2.521 19.417 -0.332 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.359 15.938 1.257 1.00 0.00 H new ATOM 0 HE2 HIS A 12 4.733 18.055 -0.106 1.00 0.00 H new ATOM 90 N LYS A 13 0.390 16.004 -1.468 1.00 0.00 N ATOM 91 CA LYS A 13 0.592 14.635 -1.924 1.00 0.00 C ATOM 92 C LYS A 13 1.108 13.754 -0.790 1.00 0.00 C ATOM 93 O LYS A 13 1.897 14.196 0.043 1.00 0.00 O ATOM 94 CB LYS A 13 1.573 14.604 -3.096 1.00 0.00 C ATOM 95 CG LYS A 13 1.098 15.394 -4.306 1.00 0.00 C ATOM 96 CD LYS A 13 2.084 15.301 -5.460 1.00 0.00 C ATOM 97 CE LYS A 13 3.401 15.986 -5.130 1.00 0.00 C ATOM 98 NZ LYS A 13 3.213 17.431 -4.818 1.00 0.00 N ATOM 0 H LYS A 13 0.986 16.693 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.370 14.244 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.533 15.001 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.741 13.568 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.126 15.019 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.961 16.439 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.268 14.253 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.649 15.758 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.866 15.488 -4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.085 15.882 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.130 17.919 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.560 17.853 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.817 17.531 -3.862 1.00 0.00 H new ATOM 112 N GLN A 14 0.655 12.504 -0.766 1.00 0.00 N ATOM 113 CA GLN A 14 1.064 11.560 0.260 1.00 0.00 C ATOM 114 C GLN A 14 2.112 10.592 -0.283 1.00 0.00 C ATOM 115 O GLN A 14 1.803 9.714 -1.090 1.00 0.00 O ATOM 116 CB GLN A 14 -0.156 10.790 0.768 1.00 0.00 C ATOM 117 CG GLN A 14 0.195 9.606 1.647 1.00 0.00 C ATOM 118 CD GLN A 14 0.815 10.020 2.968 1.00 0.00 C ATOM 119 OE1 GLN A 14 0.531 11.099 3.489 1.00 0.00 O ATOM 120 NE2 GLN A 14 1.662 9.159 3.521 1.00 0.00 N ATOM 0 H GLN A 14 0.002 12.123 -1.450 1.00 0.00 H new ATOM 0 HA GLN A 14 1.509 12.113 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.797 11.471 1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.735 10.438 -0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.705 9.023 1.840 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.888 8.955 1.113 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.869 8.276 3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.106 9.381 4.412 1.00 0.00 H new ATOM 129 N GLN A 15 3.355 10.761 0.162 1.00 0.00 N ATOM 130 CA GLN A 15 4.448 9.903 -0.279 1.00 0.00 C ATOM 131 C GLN A 15 5.353 9.528 0.891 1.00 0.00 C ATOM 132 O GLN A 15 5.537 10.312 1.822 1.00 0.00 O ATOM 133 CB GLN A 15 5.268 10.600 -1.368 1.00 0.00 C ATOM 134 CG GLN A 15 4.455 10.981 -2.594 1.00 0.00 C ATOM 135 CD GLN A 15 5.289 11.663 -3.663 1.00 0.00 C ATOM 136 OE1 GLN A 15 4.792 12.504 -4.412 1.00 0.00 O ATOM 137 NE2 GLN A 15 6.565 11.300 -3.741 1.00 0.00 N ATOM 0 H GLN A 15 3.629 11.484 0.827 1.00 0.00 H new ATOM 0 HA GLN A 15 4.015 8.990 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.722 11.499 -0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.083 9.944 -1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.997 10.085 -3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.643 11.644 -2.295 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.936 10.599 -3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.174 11.723 -4.442 1.00 0.00 H new ATOM 146 N GLY A 16 5.914 8.325 0.834 1.00 0.00 N ATOM 147 CA GLY A 16 6.794 7.862 1.893 1.00 0.00 C ATOM 148 C GLY A 16 7.156 6.397 1.743 1.00 0.00 C ATOM 149 O GLY A 16 7.566 5.960 0.668 1.00 0.00 O ATOM 0 H GLY A 16 5.775 7.661 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.705 8.461 1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.311 8.017 2.858 1.00 0.00 H new ATOM 153 N GLU A 17 7.007 5.638 2.825 1.00 0.00 N ATOM 154 CA GLU A 17 7.322 4.213 2.809 1.00 0.00 C ATOM 155 C GLU A 17 6.123 3.382 3.255 1.00 0.00 C ATOM 156 O GLU A 17 5.271 3.855 4.009 1.00 0.00 O ATOM 157 CB GLU A 17 8.522 3.919 3.713 1.00 0.00 C ATOM 158 CG GLU A 17 9.817 4.573 3.254 1.00 0.00 C ATOM 159 CD GLU A 17 9.822 6.075 3.456 1.00 0.00 C ATOM 160 OE1 GLU A 17 9.744 6.517 4.623 1.00 0.00 O ATOM 161 OE2 GLU A 17 9.902 6.810 2.450 1.00 0.00 O ATOM 0 H GLU A 17 6.670 5.986 3.723 1.00 0.00 H new ATOM 0 HA GLU A 17 7.572 3.938 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.294 4.258 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.670 2.840 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.653 4.135 3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.975 4.353 2.198 1.00 0.00 H new ATOM 168 N LEU A 18 6.064 2.139 2.785 1.00 0.00 N ATOM 169 CA LEU A 18 4.974 1.234 3.136 1.00 0.00 C ATOM 170 C LEU A 18 5.451 -0.216 3.120 1.00 0.00 C ATOM 171 O LEU A 18 6.587 -0.499 2.737 1.00 0.00 O ATOM 172 CB LEU A 18 3.802 1.411 2.168 1.00 0.00 C ATOM 173 CG LEU A 18 2.520 1.970 2.792 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.449 2.153 1.728 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.019 1.056 3.901 1.00 0.00 C ATOM 0 H LEU A 18 6.760 1.735 2.159 1.00 0.00 H new ATOM 0 HA LEU A 18 4.639 1.478 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.114 2.075 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.576 0.445 1.716 1.00 0.00 H new ATOM 0 HG LEU A 18 2.746 2.943 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.544 2.551 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.806 2.848 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.228 1.191 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.108 1.471 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.809 0.068 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.781 0.973 4.676 1.00 0.00 H new ATOM 187 N TYR A 19 4.579 -1.130 3.535 1.00 0.00 N ATOM 188 CA TYR A 19 4.919 -2.547 3.569 1.00 0.00 C ATOM 189 C TYR A 19 3.837 -3.393 2.907 1.00 0.00 C ATOM 190 O TYR A 19 2.644 -3.144 3.080 1.00 0.00 O ATOM 191 CB TYR A 19 5.127 -3.006 5.013 1.00 0.00 C ATOM 192 CG TYR A 19 6.215 -2.248 5.735 1.00 0.00 C ATOM 193 CD1 TYR A 19 5.939 -1.055 6.390 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.520 -2.724 5.761 1.00 0.00 C ATOM 195 CE1 TYR A 19 6.932 -0.358 7.051 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.519 -2.034 6.421 1.00 0.00 C ATOM 197 CZ TYR A 19 8.220 -0.851 7.064 1.00 0.00 C ATOM 198 OH TYR A 19 9.210 -0.160 7.721 1.00 0.00 O ATOM 0 H TYR A 19 3.634 -0.915 3.852 1.00 0.00 H new ATOM 0 HA TYR A 19 5.845 -2.681 3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.191 -2.892 5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.371 -4.068 5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.932 -0.666 6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.758 -3.649 5.257 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.701 0.569 7.555 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.528 -2.419 6.433 1.00 0.00 H new ATOM 0 HH TYR A 19 9.696 -0.770 8.315 1.00 0.00 H new ATOM 208 N MET A 20 4.270 -4.394 2.151 1.00 0.00 N ATOM 209 CA MET A 20 3.352 -5.291 1.457 1.00 0.00 C ATOM 210 C MET A 20 3.748 -6.746 1.685 1.00 0.00 C ATOM 211 O MET A 20 4.920 -7.053 1.899 1.00 0.00 O ATOM 212 CB MET A 20 3.337 -4.978 -0.039 1.00 0.00 C ATOM 213 CG MET A 20 2.642 -3.670 -0.377 1.00 0.00 C ATOM 214 SD MET A 20 2.969 -3.122 -2.064 1.00 0.00 S ATOM 215 CE MET A 20 2.295 -4.491 -3.004 1.00 0.00 C ATOM 0 H MET A 20 5.256 -4.607 2.002 1.00 0.00 H new ATOM 0 HA MET A 20 2.351 -5.138 1.860 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.363 -4.940 -0.405 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.840 -5.792 -0.567 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.567 -3.789 -0.240 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.969 -2.899 0.321 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.110 -5.079 -3.426 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.694 -5.122 -2.349 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.670 -4.106 -3.810 1.00 0.00 H new ATOM 225 N TRP A 21 2.764 -7.639 1.639 1.00 0.00 N ATOM 226 CA TRP A 21 3.016 -9.059 1.851 1.00 0.00 C ATOM 227 C TRP A 21 3.723 -9.685 0.656 1.00 0.00 C ATOM 228 O TRP A 21 3.119 -9.890 -0.398 1.00 0.00 O ATOM 229 CB TRP A 21 1.710 -9.808 2.122 1.00 0.00 C ATOM 230 CG TRP A 21 1.878 -11.299 2.163 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.238 -12.223 1.383 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.753 -12.040 3.022 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.660 -13.491 1.711 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.584 -13.403 2.714 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.662 -11.687 4.025 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.286 -14.404 3.369 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.360 -12.691 4.671 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.167 -14.033 4.341 1.00 0.00 C ATOM 0 H TRP A 21 1.788 -7.405 1.457 1.00 0.00 H new ATOM 0 HA TRP A 21 3.666 -9.144 2.722 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.296 -9.470 3.072 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.985 -9.552 1.349 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.508 -11.991 0.621 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.336 -14.355 1.277 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.816 -10.651 4.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.139 -15.444 3.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.067 -12.432 5.445 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.727 -14.793 4.866 1.00 0.00 H new ATOM 249 N ASP A 22 5.005 -9.984 0.824 1.00 0.00 N ATOM 250 CA ASP A 22 5.783 -10.613 -0.233 1.00 0.00 C ATOM 251 C ASP A 22 5.478 -12.105 -0.261 1.00 0.00 C ATOM 252 O ASP A 22 5.991 -12.865 0.560 1.00 0.00 O ATOM 253 CB ASP A 22 7.278 -10.377 -0.011 1.00 0.00 C ATOM 254 CG ASP A 22 8.103 -10.696 -1.243 1.00 0.00 C ATOM 255 OD1 ASP A 22 8.057 -9.906 -2.209 1.00 0.00 O ATOM 256 OD2 ASP A 22 8.794 -11.736 -1.242 1.00 0.00 O ATOM 0 H ASP A 22 5.526 -9.801 1.681 1.00 0.00 H new ATOM 0 HA ASP A 22 5.511 -10.171 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.441 -9.337 0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.620 -10.992 0.821 1.00 0.00 H new ATOM 261 N SER A 23 4.629 -12.510 -1.204 1.00 0.00 N ATOM 262 CA SER A 23 4.225 -13.907 -1.333 1.00 0.00 C ATOM 263 C SER A 23 5.338 -14.771 -1.916 1.00 0.00 C ATOM 264 O SER A 23 5.151 -15.969 -2.134 1.00 0.00 O ATOM 265 CB SER A 23 2.976 -14.016 -2.210 1.00 0.00 C ATOM 266 OG SER A 23 3.211 -13.485 -3.502 1.00 0.00 O ATOM 0 H SER A 23 4.207 -11.887 -1.892 1.00 0.00 H new ATOM 0 HA SER A 23 4.005 -14.276 -0.331 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.676 -15.061 -2.292 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.150 -13.483 -1.739 1.00 0.00 H new ATOM 0 HG SER A 23 2.398 -13.568 -4.043 1.00 0.00 H new ATOM 272 N ILE A 24 6.491 -14.169 -2.172 1.00 0.00 N ATOM 273 CA ILE A 24 7.620 -14.907 -2.723 1.00 0.00 C ATOM 274 C ILE A 24 8.484 -15.474 -1.605 1.00 0.00 C ATOM 275 O ILE A 24 8.647 -16.689 -1.486 1.00 0.00 O ATOM 276 CB ILE A 24 8.486 -14.021 -3.641 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.629 -13.417 -4.758 1.00 0.00 C ATOM 278 CG2 ILE A 24 9.636 -14.830 -4.224 1.00 0.00 C ATOM 279 CD1 ILE A 24 8.371 -12.420 -5.622 1.00 0.00 C ATOM 0 H ILE A 24 6.669 -13.178 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 24 7.212 -15.723 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 24 8.904 -13.206 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.251 -14.221 -5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.763 -12.926 -4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.239 -14.192 -4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.256 -15.217 -3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.238 -15.662 -4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.701 -12.035 -6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.726 -11.596 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.222 -12.911 -6.095 1.00 0.00 H new ATOM 291 N ASP A 25 9.038 -14.586 -0.792 1.00 0.00 N ATOM 292 CA ASP A 25 9.875 -14.992 0.327 1.00 0.00 C ATOM 293 C ASP A 25 9.044 -15.079 1.599 1.00 0.00 C ATOM 294 O ASP A 25 9.534 -15.495 2.649 1.00 0.00 O ATOM 295 CB ASP A 25 11.025 -14.002 0.521 1.00 0.00 C ATOM 296 CG ASP A 25 11.992 -14.001 -0.646 1.00 0.00 C ATOM 297 OD1 ASP A 25 11.776 -13.217 -1.594 1.00 0.00 O ATOM 298 OD2 ASP A 25 12.965 -14.782 -0.611 1.00 0.00 O ATOM 0 H ASP A 25 8.922 -13.577 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 25 10.293 -15.975 0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.619 -12.999 0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.564 -14.250 1.435 1.00 0.00 H new ATOM 303 N GLN A 26 7.777 -14.680 1.492 1.00 0.00 N ATOM 304 CA GLN A 26 6.869 -14.701 2.620 1.00 0.00 C ATOM 305 C GLN A 26 7.417 -13.862 3.763 1.00 0.00 C ATOM 306 O GLN A 26 7.887 -14.387 4.773 1.00 0.00 O ATOM 307 CB GLN A 26 6.594 -16.136 3.069 1.00 0.00 C ATOM 308 CG GLN A 26 5.370 -16.735 2.395 1.00 0.00 C ATOM 309 CD GLN A 26 5.655 -17.312 1.026 1.00 0.00 C ATOM 310 OE1 GLN A 26 6.752 -17.800 0.755 1.00 0.00 O ATOM 311 NE2 GLN A 26 4.656 -17.250 0.153 1.00 0.00 N ATOM 0 H GLN A 26 7.361 -14.337 0.626 1.00 0.00 H new ATOM 0 HA GLN A 26 5.921 -14.264 2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.464 -16.755 2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.454 -16.154 4.150 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.961 -17.519 3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.603 -15.966 2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.765 -16.836 0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.780 -17.617 -0.791 1.00 0.00 H new ATOM 320 N LYS A 27 7.355 -12.547 3.581 1.00 0.00 N ATOM 321 CA LYS A 27 7.844 -11.607 4.582 1.00 0.00 C ATOM 322 C LYS A 27 7.394 -10.186 4.254 1.00 0.00 C ATOM 323 O LYS A 27 6.642 -9.970 3.303 1.00 0.00 O ATOM 324 CB LYS A 27 9.373 -11.667 4.663 1.00 0.00 C ATOM 325 CG LYS A 27 10.073 -11.090 3.442 1.00 0.00 C ATOM 326 CD LYS A 27 11.580 -11.270 3.529 1.00 0.00 C ATOM 327 CE LYS A 27 12.299 -10.485 2.444 1.00 0.00 C ATOM 328 NZ LYS A 27 11.886 -10.913 1.079 1.00 0.00 N ATOM 0 H LYS A 27 6.969 -12.107 2.746 1.00 0.00 H new ATOM 0 HA LYS A 27 7.426 -11.888 5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.703 -11.125 5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.681 -12.705 4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.698 -11.577 2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.836 -10.030 3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.930 -10.944 4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.827 -12.328 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.093 -9.422 2.569 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.375 -10.616 2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.193 -10.202 0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.325 -11.829 0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.851 -11.007 1.043 1.00 0.00 H new ATOM 342 N TRP A 28 7.855 -9.222 5.044 1.00 0.00 N ATOM 343 CA TRP A 28 7.497 -7.824 4.831 1.00 0.00 C ATOM 344 C TRP A 28 8.706 -7.014 4.373 1.00 0.00 C ATOM 345 O TRP A 28 9.639 -6.784 5.142 1.00 0.00 O ATOM 346 CB TRP A 28 6.919 -7.217 6.110 1.00 0.00 C ATOM 347 CG TRP A 28 5.594 -7.796 6.495 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.369 -8.808 7.384 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.308 -7.402 6.001 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.022 -9.065 7.474 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.350 -8.216 6.634 1.00 0.00 C ATOM 352 CE3 TRP A 28 3.872 -6.437 5.085 1.00 0.00 C ATOM 353 CZ2 TRP A 28 1.987 -8.098 6.381 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.518 -6.321 4.835 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.590 -7.148 5.482 1.00 0.00 C ATOM 0 H TRP A 28 8.477 -9.383 5.837 1.00 0.00 H new ATOM 0 HA TRP A 28 6.740 -7.789 4.048 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.625 -7.369 6.927 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.812 -6.140 5.977 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.137 -9.330 7.935 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.592 -9.773 8.069 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.581 -5.795 4.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.269 -8.734 6.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.169 -5.581 4.130 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.538 -7.032 5.266 1.00 0.00 H new ATOM 366 N THR A 29 8.680 -6.585 3.116 1.00 0.00 N ATOM 367 CA THR A 29 9.769 -5.796 2.554 1.00 0.00 C ATOM 368 C THR A 29 9.417 -4.313 2.541 1.00 0.00 C ATOM 369 O THR A 29 8.256 -3.944 2.367 1.00 0.00 O ATOM 370 CB THR A 29 10.107 -6.241 1.119 1.00 0.00 C ATOM 371 OG1 THR A 29 8.956 -6.101 0.278 1.00 0.00 O ATOM 372 CG2 THR A 29 10.584 -7.686 1.096 1.00 0.00 C ATOM 0 H THR A 29 7.916 -6.771 2.467 1.00 0.00 H new ATOM 0 HA THR A 29 10.639 -5.960 3.190 1.00 0.00 H new ATOM 0 HB THR A 29 10.910 -5.605 0.746 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.189 -5.565 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.816 -7.976 0.071 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.478 -7.784 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.800 -8.334 1.488 1.00 0.00 H new ATOM 380 N ARG A 30 10.425 -3.468 2.728 1.00 0.00 N ATOM 381 CA ARG A 30 10.218 -2.025 2.736 1.00 0.00 C ATOM 382 C ARG A 30 10.347 -1.449 1.331 1.00 0.00 C ATOM 383 O ARG A 30 11.384 -1.591 0.684 1.00 0.00 O ATOM 384 CB ARG A 30 11.225 -1.352 3.672 1.00 0.00 C ATOM 385 CG ARG A 30 11.064 0.157 3.759 1.00 0.00 C ATOM 386 CD ARG A 30 12.080 0.771 4.708 1.00 0.00 C ATOM 387 NE ARG A 30 11.930 0.268 6.070 1.00 0.00 N ATOM 388 CZ ARG A 30 12.659 0.692 7.098 1.00 0.00 C ATOM 389 NH1 ARG A 30 13.586 1.623 6.919 1.00 0.00 N ATOM 390 NH2 ARG A 30 12.462 0.184 8.307 1.00 0.00 N ATOM 0 H ARG A 30 11.392 -3.757 2.876 1.00 0.00 H new ATOM 0 HA ARG A 30 9.208 -1.828 3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.121 -1.778 4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.234 -1.582 3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.180 0.594 2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.056 0.398 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.087 0.555 4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.968 1.855 4.708 1.00 0.00 H new ATOM 0 HE ARG A 30 11.226 -0.450 6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.741 2.016 5.991 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.144 1.946 7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.751 -0.533 8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.022 0.510 9.095 1.00 0.00 H new ATOM 404 N HIS A 31 9.286 -0.798 0.863 1.00 0.00 N ATOM 405 CA HIS A 31 9.278 -0.197 -0.466 1.00 0.00 C ATOM 406 C HIS A 31 8.881 1.274 -0.401 1.00 0.00 C ATOM 407 O HIS A 31 7.984 1.651 0.353 1.00 0.00 O ATOM 408 CB HIS A 31 8.317 -0.953 -1.386 1.00 0.00 C ATOM 409 CG HIS A 31 7.004 -1.274 -0.746 1.00 0.00 C ATOM 410 ND1 HIS A 31 5.891 -0.469 -0.863 1.00 0.00 N ATOM 411 CD2 HIS A 31 6.627 -2.322 0.026 1.00 0.00 C ATOM 412 CE1 HIS A 31 4.888 -1.006 -0.191 1.00 0.00 C ATOM 413 NE2 HIS A 31 5.308 -2.131 0.356 1.00 0.00 N ATOM 0 H HIS A 31 8.419 -0.673 1.386 1.00 0.00 H new ATOM 0 HA HIS A 31 10.288 -0.264 -0.869 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.139 -0.357 -2.281 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.790 -1.880 -1.709 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.848 0.405 -1.387 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.248 -3.153 0.326 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.893 -0.594 -0.104 1.00 0.00 H new ATOM 422 N TYR A 32 9.556 2.099 -1.196 1.00 0.00 N ATOM 423 CA TYR A 32 9.269 3.528 -1.231 1.00 0.00 C ATOM 424 C TYR A 32 8.008 3.795 -2.044 1.00 0.00 C ATOM 425 O TYR A 32 8.017 3.699 -3.273 1.00 0.00 O ATOM 426 CB TYR A 32 10.451 4.297 -1.826 1.00 0.00 C ATOM 427 CG TYR A 32 10.277 5.799 -1.792 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.590 6.527 -0.651 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.804 6.488 -2.901 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.435 7.899 -0.617 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.644 7.861 -2.874 1.00 0.00 C ATOM 432 CZ TYR A 32 9.961 8.562 -1.730 1.00 0.00 C ATOM 433 OH TYR A 32 9.804 9.928 -1.699 1.00 0.00 O ATOM 0 H TYR A 32 10.304 1.803 -1.823 1.00 0.00 H new ATOM 0 HA TYR A 32 9.108 3.872 -0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.357 4.032 -1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.597 3.980 -2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.960 6.012 0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.557 5.942 -3.800 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.684 8.451 0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.273 8.382 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 32 9.462 10.238 -2.564 1.00 0.00 H new ATOM 443 N CYS A 33 6.925 4.128 -1.353 1.00 0.00 N ATOM 444 CA CYS A 33 5.651 4.396 -2.008 1.00 0.00 C ATOM 445 C CYS A 33 5.485 5.877 -2.333 1.00 0.00 C ATOM 446 O CYS A 33 6.117 6.738 -1.722 1.00 0.00 O ATOM 447 CB CYS A 33 4.495 3.926 -1.126 1.00 0.00 C ATOM 448 SG CYS A 33 4.217 2.141 -1.165 1.00 0.00 S ATOM 0 H CYS A 33 6.904 4.219 -0.337 1.00 0.00 H new ATOM 0 HA CYS A 33 5.641 3.843 -2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.690 4.230 -0.098 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.582 4.432 -1.441 1.00 0.00 H new ATOM 0 HG CYS A 33 4.988 1.563 -0.292 1.00 0.00 H new ATOM 454 N ALA A 34 4.623 6.156 -3.306 1.00 0.00 N ATOM 455 CA ALA A 34 4.346 7.522 -3.730 1.00 0.00 C ATOM 456 C ALA A 34 3.058 7.573 -4.544 1.00 0.00 C ATOM 457 O ALA A 34 2.982 7.010 -5.636 1.00 0.00 O ATOM 458 CB ALA A 34 5.510 8.076 -4.537 1.00 0.00 C ATOM 0 H ALA A 34 4.101 5.446 -3.819 1.00 0.00 H new ATOM 0 HA ALA A 34 4.219 8.142 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.286 9.097 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.412 8.072 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.668 7.457 -5.420 1.00 0.00 H new ATOM 464 N ILE A 35 2.048 8.250 -4.007 1.00 0.00 N ATOM 465 CA ILE A 35 0.759 8.356 -4.680 1.00 0.00 C ATOM 466 C ILE A 35 0.714 9.555 -5.621 1.00 0.00 C ATOM 467 O ILE A 35 0.823 10.704 -5.188 1.00 0.00 O ATOM 468 CB ILE A 35 -0.395 8.464 -3.664 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.417 7.229 -2.760 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.726 8.626 -4.385 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.395 7.335 -1.609 1.00 0.00 C ATOM 0 H ILE A 35 2.097 8.732 -3.110 1.00 0.00 H new ATOM 0 HA ILE A 35 0.636 7.445 -5.266 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.235 9.346 -3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.669 6.355 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.584 7.064 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.530 8.701 -3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.703 9.531 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.899 7.762 -5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.355 6.424 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.131 8.189 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.404 7.469 -2.000 1.00 0.00 H new ATOM 483 N ALA A 36 0.552 9.274 -6.909 1.00 0.00 N ATOM 484 CA ALA A 36 0.481 10.319 -7.923 1.00 0.00 C ATOM 485 C ALA A 36 -0.903 10.360 -8.559 1.00 0.00 C ATOM 486 O ALA A 36 -1.355 9.373 -9.142 1.00 0.00 O ATOM 487 CB ALA A 36 1.545 10.094 -8.987 1.00 0.00 C ATOM 0 H ALA A 36 0.467 8.326 -7.277 1.00 0.00 H new ATOM 0 HA ALA A 36 0.665 11.279 -7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.481 10.881 -9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.532 10.113 -8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.386 9.126 -9.462 1.00 0.00 H new ATOM 493 N ASP A 37 -1.571 11.505 -8.441 1.00 0.00 N ATOM 494 CA ASP A 37 -2.911 11.684 -8.998 1.00 0.00 C ATOM 495 C ASP A 37 -3.923 10.782 -8.295 1.00 0.00 C ATOM 496 O ASP A 37 -4.637 11.225 -7.394 1.00 0.00 O ATOM 497 CB ASP A 37 -2.913 11.404 -10.504 1.00 0.00 C ATOM 498 CG ASP A 37 -1.967 12.314 -11.263 1.00 0.00 C ATOM 499 OD1 ASP A 37 -0.785 11.943 -11.421 1.00 0.00 O ATOM 500 OD2 ASP A 37 -2.408 13.398 -11.699 1.00 0.00 O ATOM 0 H ASP A 37 -1.204 12.327 -7.962 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.203 12.721 -8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.631 10.365 -10.678 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.924 11.530 -10.893 1.00 0.00 H new ATOM 505 N ALA A 38 -3.982 9.518 -8.707 1.00 0.00 N ATOM 506 CA ALA A 38 -4.910 8.564 -8.109 1.00 0.00 C ATOM 507 C ALA A 38 -4.317 7.159 -8.063 1.00 0.00 C ATOM 508 O ALA A 38 -4.997 6.205 -7.691 1.00 0.00 O ATOM 509 CB ALA A 38 -6.223 8.551 -8.877 1.00 0.00 C ATOM 0 H ALA A 38 -3.400 9.132 -9.450 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.097 8.883 -7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.905 7.835 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.670 9.545 -8.851 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.036 8.264 -9.912 1.00 0.00 H new ATOM 515 N LYS A 39 -3.048 7.036 -8.440 1.00 0.00 N ATOM 516 CA LYS A 39 -2.375 5.741 -8.439 1.00 0.00 C ATOM 517 C LYS A 39 -1.204 5.726 -7.463 1.00 0.00 C ATOM 518 O LYS A 39 -0.718 6.776 -7.044 1.00 0.00 O ATOM 519 CB LYS A 39 -1.893 5.396 -9.847 1.00 0.00 C ATOM 520 CG LYS A 39 -3.029 5.123 -10.817 1.00 0.00 C ATOM 521 CD LYS A 39 -2.514 4.651 -12.165 1.00 0.00 C ATOM 522 CE LYS A 39 -3.649 4.480 -13.163 1.00 0.00 C ATOM 523 NZ LYS A 39 -3.156 4.029 -14.493 1.00 0.00 N ATOM 0 H LYS A 39 -2.466 7.815 -8.749 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.094 4.989 -8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.287 6.218 -10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.247 4.520 -9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.693 4.368 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.620 6.029 -10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.792 5.370 -12.552 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.988 3.704 -12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.366 3.755 -12.777 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.180 5.425 -13.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.960 3.925 -15.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.491 4.733 -14.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.671 3.114 -14.392 1.00 0.00 H new ATOM 537 N LEU A 40 -0.758 4.524 -7.104 1.00 0.00 N ATOM 538 CA LEU A 40 0.356 4.365 -6.175 1.00 0.00 C ATOM 539 C LEU A 40 1.451 3.487 -6.776 1.00 0.00 C ATOM 540 O LEU A 40 1.234 2.309 -7.047 1.00 0.00 O ATOM 541 CB LEU A 40 -0.141 3.753 -4.863 1.00 0.00 C ATOM 542 CG LEU A 40 0.952 3.180 -3.959 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.917 4.274 -3.528 1.00 0.00 C ATOM 544 CD2 LEU A 40 0.339 2.498 -2.746 1.00 0.00 C ATOM 0 H LEU A 40 -1.152 3.646 -7.443 1.00 0.00 H new ATOM 0 HA LEU A 40 0.778 5.350 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.687 4.516 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.851 2.959 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 40 1.510 2.434 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.687 3.847 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.383 4.716 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.373 5.044 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.132 2.097 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.245 3.222 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.310 1.686 -3.074 1.00 0.00 H new ATOM 556 N SER A 41 2.634 4.062 -6.963 1.00 0.00 N ATOM 557 CA SER A 41 3.756 3.323 -7.533 1.00 0.00 C ATOM 558 C SER A 41 4.770 2.943 -6.459 1.00 0.00 C ATOM 559 O SER A 41 5.363 3.809 -5.818 1.00 0.00 O ATOM 560 CB SER A 41 4.444 4.149 -8.622 1.00 0.00 C ATOM 561 OG SER A 41 4.785 5.439 -8.146 1.00 0.00 O ATOM 0 H SER A 41 2.841 5.033 -6.730 1.00 0.00 H new ATOM 0 HA SER A 41 3.359 2.408 -7.973 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.343 3.634 -8.960 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.785 4.239 -9.485 1.00 0.00 H new ATOM 0 HG SER A 41 5.124 5.370 -7.229 1.00 0.00 H new ATOM 567 N PHE A 42 4.963 1.640 -6.267 1.00 0.00 N ATOM 568 CA PHE A 42 5.915 1.149 -5.277 1.00 0.00 C ATOM 569 C PHE A 42 7.221 0.735 -5.949 1.00 0.00 C ATOM 570 O PHE A 42 7.224 -0.066 -6.883 1.00 0.00 O ATOM 571 CB PHE A 42 5.328 -0.028 -4.489 1.00 0.00 C ATOM 572 CG PHE A 42 4.523 -0.984 -5.324 1.00 0.00 C ATOM 573 CD1 PHE A 42 5.137 -2.043 -5.975 1.00 0.00 C ATOM 574 CD2 PHE A 42 3.150 -0.828 -5.455 1.00 0.00 C ATOM 575 CE1 PHE A 42 4.400 -2.926 -6.741 1.00 0.00 C ATOM 576 CE2 PHE A 42 2.409 -1.709 -6.221 1.00 0.00 C ATOM 577 CZ PHE A 42 3.035 -2.759 -6.864 1.00 0.00 C ATOM 0 H PHE A 42 4.474 0.908 -6.783 1.00 0.00 H new ATOM 0 HA PHE A 42 6.122 1.960 -4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.142 -0.575 -4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.696 0.362 -3.691 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.204 -2.179 -5.882 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.655 -0.010 -4.953 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.891 -3.746 -7.243 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.341 -1.576 -6.316 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.458 -3.448 -7.462 1.00 0.00 H new ATOM 587 N SER A 43 8.328 1.291 -5.467 1.00 0.00 N ATOM 588 CA SER A 43 9.641 0.987 -6.025 1.00 0.00 C ATOM 589 C SER A 43 10.250 -0.239 -5.354 1.00 0.00 C ATOM 590 O SER A 43 9.689 -0.782 -4.403 1.00 0.00 O ATOM 591 CB SER A 43 10.577 2.185 -5.867 1.00 0.00 C ATOM 592 OG SER A 43 10.772 2.503 -4.500 1.00 0.00 O ATOM 0 H SER A 43 8.342 1.954 -4.692 1.00 0.00 H new ATOM 0 HA SER A 43 9.513 0.772 -7.086 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.537 1.964 -6.333 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.161 3.047 -6.388 1.00 0.00 H new ATOM 0 HG SER A 43 11.598 3.020 -4.399 1.00 0.00 H new ATOM 598 N ASP A 44 11.403 -0.669 -5.858 1.00 0.00 N ATOM 599 CA ASP A 44 12.092 -1.830 -5.310 1.00 0.00 C ATOM 600 C ASP A 44 12.493 -1.588 -3.859 1.00 0.00 C ATOM 601 O ASP A 44 12.511 -0.448 -3.393 1.00 0.00 O ATOM 602 CB ASP A 44 13.333 -2.155 -6.145 1.00 0.00 C ATOM 603 CG ASP A 44 14.348 -1.030 -6.135 1.00 0.00 C ATOM 604 OD1 ASP A 44 14.233 -0.119 -6.980 1.00 0.00 O ATOM 605 OD2 ASP A 44 15.259 -1.060 -5.280 1.00 0.00 O ATOM 0 H ASP A 44 11.879 -0.230 -6.646 1.00 0.00 H new ATOM 0 HA ASP A 44 11.407 -2.677 -5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.798 -3.063 -5.761 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.033 -2.360 -7.172 1.00 0.00 H new ATOM 610 N ASP A 45 12.812 -2.665 -3.151 1.00 0.00 N ATOM 611 CA ASP A 45 13.212 -2.568 -1.753 1.00 0.00 C ATOM 612 C ASP A 45 14.472 -1.723 -1.605 1.00 0.00 C ATOM 613 O ASP A 45 15.446 -1.910 -2.335 1.00 0.00 O ATOM 614 CB ASP A 45 13.445 -3.962 -1.172 1.00 0.00 C ATOM 615 CG ASP A 45 12.288 -4.901 -1.448 1.00 0.00 C ATOM 616 OD1 ASP A 45 11.133 -4.519 -1.167 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.536 -6.017 -1.952 1.00 0.00 O ATOM 0 H ASP A 45 12.801 -3.615 -3.522 1.00 0.00 H new ATOM 0 HA ASP A 45 12.406 -2.083 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.359 -4.381 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.598 -3.884 -0.096 1.00 0.00 H new ATOM 622 N ILE A 46 14.447 -0.792 -0.658 1.00 0.00 N ATOM 623 CA ILE A 46 15.587 0.083 -0.414 1.00 0.00 C ATOM 624 C ILE A 46 16.573 -0.556 0.559 1.00 0.00 C ATOM 625 O ILE A 46 17.545 0.073 0.976 1.00 0.00 O ATOM 626 CB ILE A 46 15.139 1.448 0.144 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.392 1.263 1.468 1.00 0.00 C ATOM 628 CG2 ILE A 46 14.265 2.170 -0.871 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.031 2.566 2.149 1.00 0.00 C ATOM 0 H ILE A 46 13.648 -0.624 -0.046 1.00 0.00 H new ATOM 0 HA ILE A 46 16.079 0.237 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 46 16.023 2.057 0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.480 0.694 1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.008 0.669 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.955 3.133 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.830 2.329 -1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.383 1.566 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.504 2.356 3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 46 14.940 3.128 2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.388 3.153 1.493 1.00 0.00 H new ATOM 641 N GLU A 47 16.315 -1.811 0.915 1.00 0.00 N ATOM 642 CA GLU A 47 17.177 -2.538 1.841 1.00 0.00 C ATOM 643 C GLU A 47 16.915 -4.040 1.767 1.00 0.00 C ATOM 644 O GLU A 47 17.830 -4.848 1.936 1.00 0.00 O ATOM 645 CB GLU A 47 16.962 -2.038 3.270 1.00 0.00 C ATOM 646 CG GLU A 47 15.514 -2.099 3.728 1.00 0.00 C ATOM 647 CD GLU A 47 15.330 -1.608 5.150 1.00 0.00 C ATOM 648 OE1 GLU A 47 15.419 -2.437 6.080 1.00 0.00 O ATOM 649 OE2 GLU A 47 15.095 -0.395 5.334 1.00 0.00 O ATOM 0 H GLU A 47 15.515 -2.346 0.576 1.00 0.00 H new ATOM 0 HA GLU A 47 18.212 -2.356 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.574 -2.632 3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.313 -1.009 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.899 -1.498 3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.156 -3.126 3.653 1.00 0.00 H new ATOM 656 N GLN A 48 15.662 -4.407 1.515 1.00 0.00 N ATOM 657 CA GLN A 48 15.280 -5.813 1.419 1.00 0.00 C ATOM 658 C GLN A 48 15.448 -6.326 -0.008 1.00 0.00 C ATOM 659 O GLN A 48 14.711 -7.208 -0.452 1.00 0.00 O ATOM 660 CB GLN A 48 13.831 -5.997 1.872 1.00 0.00 C ATOM 661 CG GLN A 48 13.581 -5.559 3.307 1.00 0.00 C ATOM 662 CD GLN A 48 14.410 -6.339 4.309 1.00 0.00 C ATOM 663 OE1 GLN A 48 14.740 -7.505 4.087 1.00 0.00 O ATOM 664 NE2 GLN A 48 14.753 -5.698 5.420 1.00 0.00 N ATOM 0 H GLN A 48 14.894 -3.751 1.374 1.00 0.00 H new ATOM 0 HA GLN A 48 15.936 -6.389 2.072 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.177 -5.430 1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.557 -7.047 1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.807 -4.497 3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.524 -5.683 3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.458 -4.732 5.563 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.311 -6.171 6.130 1.00 0.00 H new ATOM 673 N THR A 49 16.427 -5.773 -0.720 1.00 0.00 N ATOM 674 CA THR A 49 16.695 -6.172 -2.099 1.00 0.00 C ATOM 675 C THR A 49 16.900 -7.679 -2.207 1.00 0.00 C ATOM 676 O THR A 49 16.326 -8.332 -3.080 1.00 0.00 O ATOM 677 CB THR A 49 17.940 -5.459 -2.657 1.00 0.00 C ATOM 678 OG1 THR A 49 19.081 -5.755 -1.843 1.00 0.00 O ATOM 679 CG2 THR A 49 17.725 -3.954 -2.708 1.00 0.00 C ATOM 0 H THR A 49 17.048 -5.047 -0.364 1.00 0.00 H new ATOM 0 HA THR A 49 15.823 -5.883 -2.686 1.00 0.00 H new ATOM 0 HB THR A 49 18.114 -5.820 -3.671 1.00 0.00 H new ATOM 0 HG1 THR A 49 19.869 -5.299 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.618 -3.472 -3.106 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.875 -3.730 -3.352 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.528 -3.580 -1.703 1.00 0.00 H new ATOM 687 N MET A 50 17.725 -8.221 -1.316 1.00 0.00 N ATOM 688 CA MET A 50 18.014 -9.651 -1.299 1.00 0.00 C ATOM 689 C MET A 50 18.656 -10.102 -2.610 1.00 0.00 C ATOM 690 O MET A 50 18.764 -11.300 -2.877 1.00 0.00 O ATOM 691 CB MET A 50 16.735 -10.450 -1.041 1.00 0.00 C ATOM 692 CG MET A 50 16.059 -10.108 0.277 1.00 0.00 C ATOM 693 SD MET A 50 17.116 -10.421 1.704 1.00 0.00 S ATOM 694 CE MET A 50 17.367 -12.189 1.561 1.00 0.00 C ATOM 0 H MET A 50 18.207 -7.688 -0.593 1.00 0.00 H new ATOM 0 HA MET A 50 18.721 -9.838 -0.491 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.034 -10.271 -1.856 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.973 -11.514 -1.053 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.768 -9.058 0.269 1.00 0.00 H new ATOM 0 HG3 MET A 50 15.144 -10.692 0.373 1.00 0.00 H new ATOM 0 HE1 MET A 50 17.718 -12.585 2.514 1.00 0.00 H new ATOM 0 HE2 MET A 50 16.426 -12.670 1.293 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.110 -12.390 0.789 1.00 0.00 H new ATOM 704 N GLU A 51 19.083 -9.139 -3.421 1.00 0.00 N ATOM 705 CA GLU A 51 19.716 -9.443 -4.700 1.00 0.00 C ATOM 706 C GLU A 51 20.921 -8.540 -4.940 1.00 0.00 C ATOM 707 O GLU A 51 20.791 -7.318 -5.017 1.00 0.00 O ATOM 708 CB GLU A 51 18.715 -9.290 -5.846 1.00 0.00 C ATOM 709 CG GLU A 51 17.532 -10.239 -5.751 1.00 0.00 C ATOM 710 CD GLU A 51 16.508 -10.010 -6.845 1.00 0.00 C ATOM 711 OE1 GLU A 51 15.592 -9.188 -6.638 1.00 0.00 O ATOM 712 OE2 GLU A 51 16.624 -10.653 -7.910 1.00 0.00 O ATOM 0 H GLU A 51 19.002 -8.143 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 51 20.058 -10.477 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.347 -8.264 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.230 -9.458 -6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.891 -11.267 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.053 -10.119 -4.780 1.00 0.00 H new ATOM 719 N GLU A 52 22.093 -9.154 -5.056 1.00 0.00 N ATOM 720 CA GLU A 52 23.329 -8.420 -5.288 1.00 0.00 C ATOM 721 C GLU A 52 24.050 -8.971 -6.508 1.00 0.00 C ATOM 722 O GLU A 52 24.694 -8.237 -7.257 1.00 0.00 O ATOM 723 CB GLU A 52 24.236 -8.534 -4.067 1.00 0.00 C ATOM 724 CG GLU A 52 25.318 -7.472 -4.016 1.00 0.00 C ATOM 725 CD GLU A 52 26.197 -7.593 -2.787 1.00 0.00 C ATOM 726 OE1 GLU A 52 25.858 -6.984 -1.752 1.00 0.00 O ATOM 727 OE2 GLU A 52 27.228 -8.297 -2.861 1.00 0.00 O ATOM 0 H GLU A 52 22.212 -10.165 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 52 23.084 -7.372 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 52 23.628 -8.466 -3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.704 -9.519 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.937 -7.547 -4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 52 24.855 -6.486 -4.031 1.00 0.00 H new ATOM 734 N ASP A 53 23.927 -10.277 -6.691 1.00 0.00 N ATOM 735 CA ASP A 53 24.561 -10.967 -7.809 1.00 0.00 C ATOM 736 C ASP A 53 23.683 -10.921 -9.054 1.00 0.00 C ATOM 737 O ASP A 53 24.185 -10.844 -10.176 1.00 0.00 O ATOM 738 CB ASP A 53 24.858 -12.420 -7.435 1.00 0.00 C ATOM 739 CG ASP A 53 25.790 -12.533 -6.245 1.00 0.00 C ATOM 740 OD1 ASP A 53 25.289 -12.570 -5.101 1.00 0.00 O ATOM 741 OD2 ASP A 53 27.019 -12.584 -6.456 1.00 0.00 O ATOM 0 H ASP A 53 23.389 -10.887 -6.075 1.00 0.00 H new ATOM 0 HA ASP A 53 25.497 -10.455 -8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 53 23.923 -12.933 -7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 53 25.303 -12.929 -8.290 1.00 0.00 H new ATOM 746 N ASN A 54 22.369 -10.967 -8.852 1.00 0.00 N ATOM 747 CA ASN A 54 21.425 -10.927 -9.964 1.00 0.00 C ATOM 748 C ASN A 54 20.229 -10.034 -9.629 1.00 0.00 C ATOM 749 O ASN A 54 19.084 -10.484 -9.647 1.00 0.00 O ATOM 750 CB ASN A 54 20.948 -12.342 -10.304 1.00 0.00 C ATOM 751 CG ASN A 54 20.197 -12.403 -11.620 1.00 0.00 C ATOM 752 OD1 ASN A 54 20.798 -12.556 -12.683 1.00 0.00 O ATOM 753 ND2 ASN A 54 18.875 -12.292 -11.555 1.00 0.00 N ATOM 0 H ASN A 54 21.935 -11.032 -7.931 1.00 0.00 H new ATOM 0 HA ASN A 54 21.935 -10.507 -10.831 1.00 0.00 H new ATOM 0 HB2 ASN A 54 21.808 -13.010 -10.349 1.00 0.00 H new ATOM 0 HB3 ASN A 54 20.303 -12.706 -9.504 1.00 0.00 H new ATOM 0 HD21 ASN A 54 18.317 -12.333 -12.408 1.00 0.00 H new ATOM 0 HD22 ASN A 54 18.418 -12.166 -10.652 1.00 0.00 H new ATOM 760 N PRO A 55 20.481 -8.749 -9.312 1.00 0.00 N ATOM 761 CA PRO A 55 19.434 -7.791 -8.971 1.00 0.00 C ATOM 762 C PRO A 55 18.805 -7.163 -10.210 1.00 0.00 C ATOM 763 O PRO A 55 19.507 -6.639 -11.076 1.00 0.00 O ATOM 764 CB PRO A 55 20.178 -6.725 -8.147 1.00 0.00 C ATOM 765 CG PRO A 55 21.611 -7.167 -8.095 1.00 0.00 C ATOM 766 CD PRO A 55 21.798 -8.115 -9.239 1.00 0.00 C ATOM 0 HA PRO A 55 18.608 -8.260 -8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.090 -5.742 -8.610 1.00 0.00 H new ATOM 0 HB3 PRO A 55 19.758 -6.644 -7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 55 22.285 -6.314 -8.182 1.00 0.00 H new ATOM 0 HG3 PRO A 55 21.834 -7.654 -7.146 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.055 -7.597 -10.163 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.591 -8.838 -9.047 1.00 0.00 H new ATOM 774 N LEU A 56 17.478 -7.221 -10.292 1.00 0.00 N ATOM 775 CA LEU A 56 16.758 -6.658 -11.428 1.00 0.00 C ATOM 776 C LEU A 56 17.002 -5.156 -11.539 1.00 0.00 C ATOM 777 O LEU A 56 17.477 -4.668 -12.566 1.00 0.00 O ATOM 778 CB LEU A 56 15.259 -6.937 -11.301 1.00 0.00 C ATOM 779 CG LEU A 56 14.421 -6.536 -12.517 1.00 0.00 C ATOM 780 CD1 LEU A 56 14.804 -7.370 -13.729 1.00 0.00 C ATOM 781 CD2 LEU A 56 12.937 -6.682 -12.214 1.00 0.00 C ATOM 0 H LEU A 56 16.881 -7.652 -9.586 1.00 0.00 H new ATOM 0 HA LEU A 56 17.132 -7.135 -12.334 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.117 -8.002 -11.116 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.879 -6.408 -10.427 1.00 0.00 H new ATOM 0 HG LEU A 56 14.624 -5.489 -12.744 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.197 -7.070 -14.583 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.858 -7.214 -13.960 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.632 -8.425 -13.514 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.357 -6.392 -13.090 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.718 -7.719 -11.960 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.672 -6.039 -11.375 1.00 0.00 H new ATOM 793 N GLY A 57 16.674 -4.428 -10.476 1.00 0.00 N ATOM 794 CA GLY A 57 16.867 -2.990 -10.474 1.00 0.00 C ATOM 795 C GLY A 57 15.599 -2.231 -10.817 1.00 0.00 C ATOM 796 O GLY A 57 14.515 -2.576 -10.345 1.00 0.00 O ATOM 0 H GLY A 57 16.278 -4.809 -9.616 1.00 0.00 H new ATOM 0 HA2 GLY A 57 17.220 -2.676 -9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 57 17.646 -2.731 -11.190 1.00 0.00 H new ATOM 800 N SER A 58 15.739 -1.194 -11.641 1.00 0.00 N ATOM 801 CA SER A 58 14.601 -0.376 -12.055 1.00 0.00 C ATOM 802 C SER A 58 13.951 0.307 -10.853 1.00 0.00 C ATOM 803 O SER A 58 14.283 0.015 -9.705 1.00 0.00 O ATOM 804 CB SER A 58 13.568 -1.230 -12.794 1.00 0.00 C ATOM 805 OG SER A 58 12.472 -0.445 -13.230 1.00 0.00 O ATOM 0 H SER A 58 16.632 -0.900 -12.036 1.00 0.00 H new ATOM 0 HA SER A 58 14.971 0.395 -12.730 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.037 -1.712 -13.652 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.212 -2.024 -12.137 1.00 0.00 H new ATOM 0 HG SER A 58 11.828 -1.015 -13.700 1.00 0.00 H new ATOM 811 N LEU A 59 13.025 1.221 -11.129 1.00 0.00 N ATOM 812 CA LEU A 59 12.329 1.945 -10.070 1.00 0.00 C ATOM 813 C LEU A 59 10.880 1.480 -9.962 1.00 0.00 C ATOM 814 O LEU A 59 10.513 0.781 -9.019 1.00 0.00 O ATOM 815 CB LEU A 59 12.385 3.453 -10.333 1.00 0.00 C ATOM 816 CG LEU A 59 11.974 4.341 -9.153 1.00 0.00 C ATOM 817 CD1 LEU A 59 12.580 5.728 -9.297 1.00 0.00 C ATOM 818 CD2 LEU A 59 10.459 4.429 -9.040 1.00 0.00 C ATOM 0 H LEU A 59 12.740 1.477 -12.074 1.00 0.00 H new ATOM 0 HA LEU A 59 12.828 1.735 -9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.401 3.716 -10.627 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.738 3.681 -11.180 1.00 0.00 H new ATOM 0 HG LEU A 59 12.355 3.888 -8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.279 6.346 -8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.667 5.650 -9.320 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.229 6.184 -10.223 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.193 5.065 -8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.050 4.854 -9.957 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.047 3.432 -8.887 1.00 0.00 H new ATOM 830 N CYS A 60 10.063 1.872 -10.934 1.00 0.00 N ATOM 831 CA CYS A 60 8.653 1.497 -10.949 1.00 0.00 C ATOM 832 C CYS A 60 8.492 -0.020 -11.008 1.00 0.00 C ATOM 833 O CYS A 60 8.529 -0.618 -12.084 1.00 0.00 O ATOM 834 CB CYS A 60 7.942 2.146 -12.139 1.00 0.00 C ATOM 835 SG CYS A 60 8.723 1.820 -13.736 1.00 0.00 S ATOM 0 H CYS A 60 10.353 2.450 -11.723 1.00 0.00 H new ATOM 0 HA CYS A 60 8.199 1.855 -10.025 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.912 1.790 -12.171 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.902 3.224 -11.980 1.00 0.00 H new ATOM 0 HG CYS A 60 8.943 0.545 -13.859 1.00 0.00 H new ATOM 841 N ARG A 61 8.319 -0.637 -9.842 1.00 0.00 N ATOM 842 CA ARG A 61 8.149 -2.084 -9.761 1.00 0.00 C ATOM 843 C ARG A 61 6.682 -2.462 -9.930 1.00 0.00 C ATOM 844 O ARG A 61 6.347 -3.634 -10.109 1.00 0.00 O ATOM 845 CB ARG A 61 8.671 -2.608 -8.422 1.00 0.00 C ATOM 846 CG ARG A 61 10.164 -2.396 -8.221 1.00 0.00 C ATOM 847 CD ARG A 61 10.985 -3.239 -9.183 1.00 0.00 C ATOM 848 NE ARG A 61 10.744 -4.668 -9.002 1.00 0.00 N ATOM 849 CZ ARG A 61 11.703 -5.589 -9.046 1.00 0.00 C ATOM 850 NH1 ARG A 61 12.961 -5.231 -9.258 1.00 0.00 N ATOM 851 NH2 ARG A 61 11.401 -6.869 -8.877 1.00 0.00 N ATOM 0 H ARG A 61 8.293 -0.158 -8.942 1.00 0.00 H new ATOM 0 HA ARG A 61 8.723 -2.540 -10.567 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.131 -2.115 -7.614 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.451 -3.673 -8.348 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.405 -1.342 -8.364 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.433 -2.648 -7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.744 -2.958 -10.208 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.044 -3.029 -9.036 1.00 0.00 H new ATOM 0 HE ARG A 61 9.787 -4.977 -8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.196 -4.247 -9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.694 -5.939 -9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.433 -7.147 -8.713 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.136 -7.575 -8.911 1.00 0.00 H new ATOM 865 N GLY A 62 5.811 -1.460 -9.870 1.00 0.00 N ATOM 866 CA GLY A 62 4.389 -1.698 -10.017 1.00 0.00 C ATOM 867 C GLY A 62 3.560 -0.476 -9.677 1.00 0.00 C ATOM 868 O GLY A 62 4.042 0.444 -9.014 1.00 0.00 O ATOM 0 H GLY A 62 6.067 -0.484 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.179 -2.003 -11.042 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.093 -2.525 -9.372 1.00 0.00 H new ATOM 872 N ILE A 63 2.311 -0.467 -10.129 1.00 0.00 N ATOM 873 CA ILE A 63 1.412 0.651 -9.870 1.00 0.00 C ATOM 874 C ILE A 63 0.032 0.162 -9.442 1.00 0.00 C ATOM 875 O ILE A 63 -0.466 -0.846 -9.942 1.00 0.00 O ATOM 876 CB ILE A 63 1.263 1.554 -11.113 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.623 2.125 -11.523 1.00 0.00 C ATOM 878 CG2 ILE A 63 0.271 2.677 -10.837 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.567 3.014 -12.746 1.00 0.00 C ATOM 0 H ILE A 63 1.898 -1.222 -10.677 1.00 0.00 H new ATOM 0 HA ILE A 63 1.855 1.230 -9.060 1.00 0.00 H new ATOM 0 HB ILE A 63 0.880 0.952 -11.937 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.034 2.695 -10.689 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.310 1.301 -11.715 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.177 3.305 -11.723 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.701 2.251 -10.589 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.627 3.279 -10.001 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.567 3.381 -12.975 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.187 2.444 -13.593 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.906 3.859 -12.552 1.00 0.00 H new ATOM 891 N LEU A 64 -0.574 0.887 -8.511 1.00 0.00 N ATOM 892 CA LEU A 64 -1.897 0.546 -8.006 1.00 0.00 C ATOM 893 C LEU A 64 -2.931 1.528 -8.546 1.00 0.00 C ATOM 894 O LEU A 64 -3.003 2.672 -8.098 1.00 0.00 O ATOM 895 CB LEU A 64 -1.889 0.571 -6.473 1.00 0.00 C ATOM 896 CG LEU A 64 -2.840 -0.409 -5.776 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.697 -1.811 -6.351 1.00 0.00 C ATOM 898 CD2 LEU A 64 -2.569 -0.418 -4.281 1.00 0.00 C ATOM 0 H LEU A 64 -0.167 1.721 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.161 -0.457 -8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.874 0.365 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.137 1.581 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.864 -0.079 -5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.383 -2.486 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.932 -1.794 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.673 -2.159 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.248 -1.116 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.539 -0.726 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.725 0.582 -3.877 1.00 0.00 H new ATOM 910 N ASP A 65 -3.715 1.079 -9.520 1.00 0.00 N ATOM 911 CA ASP A 65 -4.739 1.921 -10.128 1.00 0.00 C ATOM 912 C ASP A 65 -5.608 2.585 -9.064 1.00 0.00 C ATOM 913 O ASP A 65 -6.079 3.708 -9.247 1.00 0.00 O ATOM 914 CB ASP A 65 -5.615 1.093 -11.070 1.00 0.00 C ATOM 915 CG ASP A 65 -4.816 0.452 -12.189 1.00 0.00 C ATOM 916 OD1 ASP A 65 -4.662 1.092 -13.251 1.00 0.00 O ATOM 917 OD2 ASP A 65 -4.343 -0.689 -12.003 1.00 0.00 O ATOM 0 H ASP A 65 -3.661 0.136 -9.906 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.236 2.702 -10.698 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.124 0.316 -10.499 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.388 1.732 -11.498 1.00 0.00 H new ATOM 922 N LEU A 66 -5.811 1.884 -7.951 1.00 0.00 N ATOM 923 CA LEU A 66 -6.625 2.399 -6.853 1.00 0.00 C ATOM 924 C LEU A 66 -8.022 2.779 -7.337 1.00 0.00 C ATOM 925 O LEU A 66 -8.766 3.464 -6.638 1.00 0.00 O ATOM 926 CB LEU A 66 -5.944 3.608 -6.208 1.00 0.00 C ATOM 927 CG LEU A 66 -4.617 3.305 -5.506 1.00 0.00 C ATOM 928 CD1 LEU A 66 -3.907 4.596 -5.129 1.00 0.00 C ATOM 929 CD2 LEU A 66 -4.846 2.439 -4.277 1.00 0.00 C ATOM 0 H LEU A 66 -5.422 0.956 -7.786 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.725 1.609 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.767 4.360 -6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.629 4.048 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.980 2.753 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.966 4.362 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.707 5.177 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.539 5.176 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.891 2.235 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.502 2.962 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.309 1.499 -4.576 1.00 0.00 H new ATOM 941 N ASN A 67 -8.369 2.329 -8.538 1.00 0.00 N ATOM 942 CA ASN A 67 -9.678 2.612 -9.114 1.00 0.00 C ATOM 943 C ASN A 67 -10.551 1.361 -9.098 1.00 0.00 C ATOM 944 O ASN A 67 -11.759 1.432 -9.325 1.00 0.00 O ATOM 945 CB ASN A 67 -9.530 3.129 -10.545 1.00 0.00 C ATOM 946 CG ASN A 67 -8.725 4.413 -10.622 1.00 0.00 C ATOM 947 OD1 ASN A 67 -8.030 4.665 -11.606 1.00 0.00 O ATOM 948 ND2 ASN A 67 -8.815 5.233 -9.580 1.00 0.00 N ATOM 0 H ASN A 67 -7.761 1.766 -9.132 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.159 3.381 -8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.048 2.365 -11.155 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.519 3.299 -10.970 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.296 6.111 -9.576 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.403 4.984 -8.785 1.00 0.00 H new ATOM 955 N THR A 68 -9.929 0.217 -8.829 1.00 0.00 N ATOM 956 CA THR A 68 -10.645 -1.052 -8.782 1.00 0.00 C ATOM 957 C THR A 68 -10.159 -1.919 -7.624 1.00 0.00 C ATOM 958 O THR A 68 -9.549 -2.967 -7.832 1.00 0.00 O ATOM 959 CB THR A 68 -10.487 -1.837 -10.099 1.00 0.00 C ATOM 960 OG1 THR A 68 -9.099 -2.040 -10.386 1.00 0.00 O ATOM 961 CG2 THR A 68 -11.147 -1.097 -11.253 1.00 0.00 C ATOM 0 H THR A 68 -8.929 0.144 -8.640 1.00 0.00 H new ATOM 0 HA THR A 68 -11.698 -0.813 -8.634 1.00 0.00 H new ATOM 0 HB THR A 68 -10.977 -2.803 -9.981 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.697 -2.591 -9.683 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.022 -1.670 -12.172 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.210 -0.972 -11.045 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.683 -0.118 -11.371 1.00 0.00 H new ATOM 969 N TYR A 69 -10.428 -1.468 -6.402 1.00 0.00 N ATOM 970 CA TYR A 69 -10.028 -2.203 -5.206 1.00 0.00 C ATOM 971 C TYR A 69 -10.945 -1.877 -4.033 1.00 0.00 C ATOM 972 O TYR A 69 -11.774 -0.969 -4.108 1.00 0.00 O ATOM 973 CB TYR A 69 -8.583 -1.872 -4.817 1.00 0.00 C ATOM 974 CG TYR A 69 -7.541 -2.724 -5.504 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.293 -4.023 -5.079 1.00 0.00 C ATOM 976 CD2 TYR A 69 -6.799 -2.230 -6.570 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.337 -4.807 -5.695 1.00 0.00 C ATOM 978 CE2 TYR A 69 -5.841 -3.008 -7.193 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.614 -4.295 -6.752 1.00 0.00 C ATOM 980 OH TYR A 69 -4.660 -5.071 -7.369 1.00 0.00 O ATOM 0 H TYR A 69 -10.922 -0.596 -6.214 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.104 -3.265 -5.438 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.388 -0.825 -5.048 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.475 -1.986 -3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.858 -4.427 -4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.973 -1.222 -6.917 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.157 -5.815 -5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.273 -2.610 -8.021 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.243 -4.561 -8.095 1.00 0.00 H new ATOM 990 N ASN A 70 -10.784 -2.627 -2.949 1.00 0.00 N ATOM 991 CA ASN A 70 -11.575 -2.425 -1.742 1.00 0.00 C ATOM 992 C ASN A 70 -10.678 -2.515 -0.513 1.00 0.00 C ATOM 993 O ASN A 70 -9.924 -3.473 -0.356 1.00 0.00 O ATOM 994 CB ASN A 70 -12.694 -3.464 -1.652 1.00 0.00 C ATOM 995 CG ASN A 70 -13.686 -3.351 -2.793 1.00 0.00 C ATOM 996 OD1 ASN A 70 -13.937 -2.262 -3.309 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.255 -4.482 -3.195 1.00 0.00 N ATOM 0 H ASN A 70 -10.107 -3.387 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.027 -1.434 -1.784 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.258 -4.463 -1.652 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.220 -3.345 -0.705 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.929 -4.470 -3.960 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.017 -5.363 -2.739 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.767 -1.520 0.360 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.944 -1.492 1.563 1.00 0.00 C ATOM 1006 C VAL A 71 -10.698 -2.062 2.760 1.00 0.00 C ATOM 1007 O VAL A 71 -11.803 -1.621 3.081 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.490 -0.055 1.890 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.554 -0.050 3.088 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.821 0.587 0.683 1.00 0.00 C ATOM 0 H VAL A 71 -11.398 -0.725 0.259 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.068 -2.110 1.366 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.373 0.533 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.244 0.973 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.070 -0.463 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.676 -0.656 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.509 1.600 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.949 -0.000 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.526 0.621 -0.148 1.00 0.00 H new ATOM 1020 N VAL A 72 -10.091 -3.048 3.415 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.697 -3.687 4.577 1.00 0.00 C ATOM 1022 C VAL A 72 -9.699 -3.795 5.724 1.00 0.00 C ATOM 1023 O VAL A 72 -8.619 -4.368 5.571 1.00 0.00 O ATOM 1024 CB VAL A 72 -11.232 -5.093 4.236 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.646 -5.006 3.681 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -10.309 -5.802 3.256 1.00 0.00 C ATOM 0 H VAL A 72 -9.177 -3.422 3.159 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.533 -3.058 4.884 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.260 -5.679 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.007 -6.007 3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.301 -4.549 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.645 -4.399 2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.708 -6.791 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.240 -5.221 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.317 -5.902 3.697 1.00 0.00 H new ATOM 1036 N LYS A 73 -10.068 -3.242 6.875 1.00 0.00 N ATOM 1037 CA LYS A 73 -9.203 -3.267 8.051 1.00 0.00 C ATOM 1038 C LYS A 73 -9.134 -4.664 8.661 1.00 0.00 C ATOM 1039 O LYS A 73 -10.075 -5.115 9.313 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.705 -2.270 9.099 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.915 -2.297 10.399 1.00 0.00 C ATOM 1042 CD LYS A 73 -9.635 -1.548 11.509 1.00 0.00 C ATOM 1043 CE LYS A 73 -9.584 -0.043 11.298 1.00 0.00 C ATOM 1044 NZ LYS A 73 -8.221 0.505 11.543 1.00 0.00 N ATOM 0 H LYS A 73 -10.961 -2.770 7.019 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.200 -2.984 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.663 -1.265 8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.752 -2.482 9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.751 -3.331 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.933 -1.853 10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.674 -1.874 11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.182 -1.796 12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.892 0.192 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.296 0.442 11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.219 1.528 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.951 0.333 12.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.540 0.037 10.912 1.00 0.00 H new ATOM 1058 N ALA A 74 -8.014 -5.343 8.440 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.814 -6.680 8.983 1.00 0.00 C ATOM 1060 C ALA A 74 -7.269 -6.604 10.411 1.00 0.00 C ATOM 1061 O ALA A 74 -6.198 -6.033 10.641 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.867 -7.474 8.095 1.00 0.00 C ATOM 0 H ALA A 74 -7.232 -4.989 7.889 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.777 -7.190 9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.727 -8.471 8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.290 -7.556 7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.905 -6.964 8.042 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.996 -7.181 11.391 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.589 -7.172 12.796 1.00 0.00 C ATOM 1070 C PRO A 75 -6.540 -8.232 13.110 1.00 0.00 C ATOM 1071 O PRO A 75 -6.456 -9.256 12.430 1.00 0.00 O ATOM 1072 CB PRO A 75 -8.890 -7.474 13.559 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.964 -7.598 12.522 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.272 -7.879 11.221 1.00 0.00 C ATOM 0 HA PRO A 75 -7.128 -6.223 13.069 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.798 -8.394 14.136 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.121 -6.677 14.265 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.656 -8.402 12.775 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.550 -6.681 12.459 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.133 -8.947 11.057 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.835 -7.496 10.370 1.00 0.00 H new ATOM 1082 N GLN A 76 -5.744 -7.978 14.146 1.00 0.00 N ATOM 1083 CA GLN A 76 -4.697 -8.908 14.561 1.00 0.00 C ATOM 1084 C GLN A 76 -3.772 -9.240 13.394 1.00 0.00 C ATOM 1085 O GLN A 76 -3.061 -10.246 13.412 1.00 0.00 O ATOM 1086 CB GLN A 76 -5.322 -10.188 15.123 1.00 0.00 C ATOM 1087 CG GLN A 76 -4.334 -11.071 15.867 1.00 0.00 C ATOM 1088 CD GLN A 76 -5.009 -12.213 16.601 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -5.389 -12.082 17.764 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -5.159 -13.346 15.923 1.00 0.00 N ATOM 0 H GLN A 76 -5.805 -7.133 14.715 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.104 -8.431 15.341 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.136 -9.920 15.797 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.761 -10.758 14.304 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.611 -11.476 15.160 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.777 -10.464 16.581 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.829 -13.412 14.960 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.604 -14.150 16.366 1.00 0.00 H new ATOM 1099 N GLY A 77 -3.781 -8.382 12.383 1.00 0.00 N ATOM 1100 CA GLY A 77 -2.946 -8.597 11.217 1.00 0.00 C ATOM 1101 C GLY A 77 -3.258 -9.906 10.520 1.00 0.00 C ATOM 1102 O GLY A 77 -4.409 -10.343 10.493 1.00 0.00 O ATOM 0 H GLY A 77 -4.353 -7.538 12.349 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.084 -7.773 10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.898 -8.588 11.517 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.232 -10.532 9.956 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.403 -11.798 9.257 1.00 0.00 C ATOM 1108 C LYS A 78 -1.101 -12.597 9.255 1.00 0.00 C ATOM 1109 O LYS A 78 -1.115 -13.824 9.353 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.874 -11.550 7.823 1.00 0.00 C ATOM 1111 CG LYS A 78 -3.034 -12.816 7.000 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.475 -12.500 5.587 1.00 0.00 C ATOM 1113 CE LYS A 78 -4.885 -11.949 5.558 1.00 0.00 C ATOM 1114 NZ LYS A 78 -5.895 -12.975 5.935 1.00 0.00 N ATOM 0 H LYS A 78 -1.274 -10.183 9.969 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.160 -12.380 9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.828 -11.023 7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.161 -10.893 7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.089 -13.359 6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.765 -13.471 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.791 -11.776 5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.423 -13.402 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.957 -11.102 6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.106 -11.573 4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.846 -12.631 5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.704 -13.857 5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.842 -13.155 6.958 1.00 0.00 H new ATOM 1128 N ASN A 79 0.019 -11.891 9.145 1.00 0.00 N ATOM 1129 CA ASN A 79 1.330 -12.531 9.133 1.00 0.00 C ATOM 1130 C ASN A 79 2.312 -11.778 10.026 1.00 0.00 C ATOM 1131 O ASN A 79 2.933 -10.806 9.598 1.00 0.00 O ATOM 1132 CB ASN A 79 1.875 -12.603 7.705 1.00 0.00 C ATOM 1133 CG ASN A 79 1.000 -13.437 6.789 1.00 0.00 C ATOM 1134 OD1 ASN A 79 0.361 -14.394 7.224 1.00 0.00 O ATOM 1135 ND2 ASN A 79 0.967 -13.074 5.512 1.00 0.00 N ATOM 0 H ASN A 79 0.046 -10.875 9.063 1.00 0.00 H new ATOM 0 HA ASN A 79 1.214 -13.543 9.522 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.960 -11.594 7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.880 -13.024 7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.395 -13.596 4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.513 -12.273 5.195 1.00 0.00 H new ATOM 1142 N GLN A 80 2.439 -12.231 11.271 1.00 0.00 N ATOM 1143 CA GLN A 80 3.345 -11.603 12.229 1.00 0.00 C ATOM 1144 C GLN A 80 3.024 -10.120 12.404 1.00 0.00 C ATOM 1145 O GLN A 80 3.847 -9.353 12.903 1.00 0.00 O ATOM 1146 CB GLN A 80 4.797 -11.769 11.773 1.00 0.00 C ATOM 1147 CG GLN A 80 5.248 -13.218 11.694 1.00 0.00 C ATOM 1148 CD GLN A 80 6.691 -13.356 11.247 1.00 0.00 C ATOM 1149 OE1 GLN A 80 7.201 -12.528 10.493 1.00 0.00 O ATOM 1150 NE2 GLN A 80 7.356 -14.408 11.711 1.00 0.00 N ATOM 0 H GLN A 80 1.925 -13.031 11.640 1.00 0.00 H new ATOM 0 HA GLN A 80 3.210 -12.098 13.190 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.917 -11.306 10.793 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.449 -11.231 12.461 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.128 -13.686 12.671 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.603 -13.758 11.001 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.893 -15.070 12.334 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.330 -14.554 11.444 1.00 0.00 H new ATOM 1159 N LYS A 81 1.821 -9.728 11.997 1.00 0.00 N ATOM 1160 CA LYS A 81 1.393 -8.337 12.106 1.00 0.00 C ATOM 1161 C LYS A 81 0.145 -8.209 12.974 1.00 0.00 C ATOM 1162 O LYS A 81 -0.499 -9.205 13.306 1.00 0.00 O ATOM 1163 CB LYS A 81 1.113 -7.763 10.717 1.00 0.00 C ATOM 1164 CG LYS A 81 2.365 -7.529 9.890 1.00 0.00 C ATOM 1165 CD LYS A 81 3.140 -6.319 10.382 1.00 0.00 C ATOM 1166 CE LYS A 81 4.444 -6.149 9.621 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.180 -4.926 10.045 1.00 0.00 N ATOM 0 H LYS A 81 1.126 -10.353 11.589 1.00 0.00 H new ATOM 0 HA LYS A 81 2.199 -7.775 12.578 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.454 -8.444 10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.578 -6.820 10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.002 -8.413 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.090 -7.386 8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.530 -5.423 10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.349 -6.427 11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.073 -7.025 9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.236 -6.095 8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.064 -4.847 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.590 -4.088 9.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.401 -4.988 11.059 1.00 0.00 H new ATOM 1181 N SER A 82 -0.186 -6.975 13.340 1.00 0.00 N ATOM 1182 CA SER A 82 -1.360 -6.703 14.162 1.00 0.00 C ATOM 1183 C SER A 82 -2.302 -5.746 13.440 1.00 0.00 C ATOM 1184 O SER A 82 -3.523 -5.887 13.506 1.00 0.00 O ATOM 1185 CB SER A 82 -0.944 -6.112 15.511 1.00 0.00 C ATOM 1186 OG SER A 82 -0.240 -4.894 15.340 1.00 0.00 O ATOM 0 H SER A 82 0.345 -6.144 13.079 1.00 0.00 H new ATOM 0 HA SER A 82 -1.882 -7.644 14.339 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.828 -5.941 16.125 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.318 -6.826 16.046 1.00 0.00 H new ATOM 0 HG SER A 82 -0.868 -4.186 15.084 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.719 -4.770 12.752 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.489 -3.787 12.000 1.00 0.00 C ATOM 1194 C PHE A 83 -2.290 -4.001 10.503 1.00 0.00 C ATOM 1195 O PHE A 83 -1.287 -3.566 9.936 1.00 0.00 O ATOM 1196 CB PHE A 83 -2.057 -2.369 12.381 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.969 -2.129 13.862 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -3.020 -2.467 14.701 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.833 -1.560 14.414 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.938 -2.243 16.062 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.745 -1.333 15.774 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.798 -1.675 16.599 1.00 0.00 C ATOM 0 H PHE A 83 -0.709 -4.639 12.700 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.544 -3.912 12.243 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.085 -2.165 11.933 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.762 -1.658 11.950 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.913 -2.910 14.286 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.006 -1.291 13.774 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.763 -2.511 16.705 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.146 -0.889 16.191 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.731 -1.499 17.662 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.242 -4.676 9.863 1.00 0.00 N ATOM 1213 CA VAL A 84 -3.140 -4.950 8.433 1.00 0.00 C ATOM 1214 C VAL A 84 -4.413 -4.563 7.689 1.00 0.00 C ATOM 1215 O VAL A 84 -5.514 -4.677 8.221 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.841 -6.443 8.175 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -3.019 -6.798 6.705 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.438 -6.795 8.643 1.00 0.00 C ATOM 0 H VAL A 84 -4.085 -5.040 10.307 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.317 -4.342 8.057 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.558 -7.031 8.749 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.801 -7.856 6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.046 -6.594 6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.337 -6.199 6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.245 -7.851 8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.711 -6.190 8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.350 -6.597 9.711 1.00 0.00 H new ATOM 1228 N PHE A 85 -4.240 -4.092 6.459 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.360 -3.708 5.608 1.00 0.00 C ATOM 1230 C PHE A 85 -5.261 -4.438 4.275 1.00 0.00 C ATOM 1231 O PHE A 85 -4.238 -4.365 3.594 1.00 0.00 O ATOM 1232 CB PHE A 85 -5.381 -2.197 5.377 1.00 0.00 C ATOM 1233 CG PHE A 85 -6.012 -1.425 6.497 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -5.455 -1.431 7.764 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -7.164 -0.689 6.277 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -6.036 -0.714 8.793 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.749 0.028 7.300 1.00 0.00 C ATOM 1238 CZ PHE A 85 -7.185 0.017 8.560 1.00 0.00 C ATOM 0 H PHE A 85 -3.325 -3.966 6.026 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.287 -3.986 6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.359 -1.846 5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.921 -1.987 4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.557 -2.002 7.951 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.610 -0.676 5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.592 -0.725 9.778 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.648 0.598 7.115 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.641 0.579 9.362 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.322 -5.141 3.906 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.332 -5.901 2.664 1.00 0.00 C ATOM 1250 C ILE A 86 -7.059 -5.166 1.544 1.00 0.00 C ATOM 1251 O ILE A 86 -8.089 -4.531 1.761 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.997 -7.275 2.863 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -6.258 -8.074 3.938 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -7.032 -8.048 1.552 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.994 -9.321 4.373 1.00 0.00 C ATOM 0 H ILE A 86 -7.185 -5.201 4.447 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.288 -6.030 2.378 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.023 -7.117 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.275 -8.355 3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.095 -7.436 4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.506 -9.016 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.601 -7.484 0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.015 -8.197 1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.413 -9.839 5.136 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.966 -9.046 4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.134 -9.979 3.515 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.497 -5.258 0.345 1.00 0.00 N ATOM 1268 CA LEU A 87 -7.085 -4.645 -0.835 1.00 0.00 C ATOM 1269 C LEU A 87 -7.737 -5.722 -1.690 1.00 0.00 C ATOM 1270 O LEU A 87 -7.109 -6.732 -2.011 1.00 0.00 O ATOM 1271 CB LEU A 87 -6.022 -3.899 -1.641 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.497 -2.618 -0.990 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.331 -2.058 -1.785 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.609 -1.587 -0.875 1.00 0.00 C ATOM 0 H LEU A 87 -5.626 -5.757 0.166 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.840 -3.924 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.182 -4.571 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.437 -3.649 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.145 -2.859 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.970 -1.147 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.527 -2.793 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.658 -1.831 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.219 -0.682 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.989 -1.350 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.417 -1.990 -0.264 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.991 -5.509 -2.058 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.720 -6.485 -2.855 1.00 0.00 C ATOM 1288 C GLU A 88 -10.049 -5.919 -4.234 1.00 0.00 C ATOM 1289 O GLU A 88 -10.857 -5.000 -4.355 1.00 0.00 O ATOM 1290 CB GLU A 88 -11.001 -6.904 -2.130 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.749 -7.536 -0.769 1.00 0.00 C ATOM 1292 CD GLU A 88 -12.031 -7.945 -0.071 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.595 -7.114 0.670 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.470 -9.099 -0.266 1.00 0.00 O ATOM 0 H GLU A 88 -9.524 -4.673 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.089 -7.363 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.640 -6.030 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.548 -7.611 -2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.111 -8.411 -0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.206 -6.831 -0.140 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.436 -6.472 -5.297 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.663 -6.005 -6.669 1.00 0.00 C ATOM 1303 C PRO A 89 -11.125 -6.112 -7.076 1.00 0.00 C ATOM 1304 O PRO A 89 -11.745 -7.166 -6.928 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.803 -6.947 -7.519 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.593 -8.141 -6.657 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.500 -7.608 -5.259 1.00 0.00 C ATOM 0 HA PRO A 89 -9.406 -4.952 -6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.306 -7.213 -8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.855 -6.482 -7.791 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.418 -8.847 -6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.684 -8.673 -6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.793 -8.353 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.487 -7.293 -5.010 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.669 -5.018 -7.590 1.00 0.00 N ATOM 1316 CA LYS A 90 -13.059 -4.992 -8.017 1.00 0.00 C ATOM 1317 C LYS A 90 -13.206 -5.598 -9.407 1.00 0.00 C ATOM 1318 O LYS A 90 -14.271 -5.517 -10.020 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.592 -3.558 -8.008 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.530 -2.895 -6.641 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.058 -1.468 -6.686 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.544 -1.428 -7.002 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.065 -0.034 -7.052 1.00 0.00 N ATOM 0 H LYS A 90 -11.169 -4.139 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.643 -5.588 -7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.019 -2.962 -8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.625 -3.561 -8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.113 -3.477 -5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.500 -2.891 -6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.877 -0.983 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.510 -0.901 -7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.725 -1.917 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.091 -1.993 -6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.082 -0.051 -7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.916 0.425 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.561 0.499 -7.790 1.00 0.00 H new ATOM 1337 N GLN A 91 -12.131 -6.206 -9.900 1.00 0.00 N ATOM 1338 CA GLN A 91 -12.147 -6.827 -11.219 1.00 0.00 C ATOM 1339 C GLN A 91 -13.099 -8.017 -11.243 1.00 0.00 C ATOM 1340 O GLN A 91 -14.191 -7.944 -11.808 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.740 -7.283 -11.607 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.712 -6.164 -11.605 1.00 0.00 C ATOM 1343 CD GLN A 91 -9.977 -5.127 -12.679 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -9.486 -5.240 -13.802 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -10.756 -4.107 -12.337 1.00 0.00 N ATOM 0 H GLN A 91 -11.241 -6.281 -9.407 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.495 -6.086 -11.939 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.417 -8.062 -10.917 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.774 -7.731 -12.600 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.711 -5.679 -10.629 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.719 -6.588 -11.752 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.142 -4.054 -11.394 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -10.969 -3.377 -13.017 1.00 0.00 H new ATOM 1354 N GLN A 92 -12.674 -9.110 -10.622 1.00 0.00 N ATOM 1355 CA GLN A 92 -13.475 -10.327 -10.560 1.00 0.00 C ATOM 1356 C GLN A 92 -12.934 -11.277 -9.497 1.00 0.00 C ATOM 1357 O GLN A 92 -13.392 -11.273 -8.354 1.00 0.00 O ATOM 1358 CB GLN A 92 -13.501 -11.023 -11.924 1.00 0.00 C ATOM 1359 CG GLN A 92 -12.270 -10.752 -12.778 1.00 0.00 C ATOM 1360 CD GLN A 92 -12.294 -11.501 -14.096 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -11.757 -11.032 -15.099 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -12.916 -12.676 -14.102 1.00 0.00 N ATOM 0 H GLN A 92 -11.772 -9.179 -10.151 1.00 0.00 H new ATOM 0 HA GLN A 92 -14.493 -10.048 -10.289 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.595 -12.098 -11.771 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -14.388 -10.700 -12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.198 -9.682 -12.974 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.377 -11.035 -12.221 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.348 -13.029 -13.248 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.961 -13.225 -14.961 1.00 0.00 H new ATOM 1371 N GLY A 93 -11.954 -12.088 -9.881 1.00 0.00 N ATOM 1372 CA GLY A 93 -11.354 -13.025 -8.953 1.00 0.00 C ATOM 1373 C GLY A 93 -9.866 -12.794 -8.804 1.00 0.00 C ATOM 1374 O GLY A 93 -9.137 -13.665 -8.327 1.00 0.00 O ATOM 0 H GLY A 93 -11.564 -12.112 -10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.836 -12.931 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.531 -14.043 -9.299 1.00 0.00 H new ATOM 1378 N ASP A 94 -9.416 -11.612 -9.219 1.00 0.00 N ATOM 1379 CA ASP A 94 -8.006 -11.251 -9.140 1.00 0.00 C ATOM 1380 C ASP A 94 -7.473 -11.428 -7.717 1.00 0.00 C ATOM 1381 O ASP A 94 -8.244 -11.507 -6.761 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.809 -9.806 -9.605 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.386 -9.553 -10.985 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.522 -10.000 -11.247 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.701 -8.906 -11.805 1.00 0.00 O ATOM 0 H ASP A 94 -10.013 -10.886 -9.615 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.444 -11.916 -9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.279 -9.131 -8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.744 -9.573 -9.612 1.00 0.00 H new ATOM 1390 N PRO A 95 -6.139 -11.491 -7.565 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.490 -11.676 -6.259 1.00 0.00 C ATOM 1392 C PRO A 95 -5.533 -10.422 -5.384 1.00 0.00 C ATOM 1393 O PRO A 95 -5.493 -9.301 -5.891 1.00 0.00 O ATOM 1394 CB PRO A 95 -4.046 -11.996 -6.640 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.847 -11.285 -7.931 1.00 0.00 C ATOM 1396 CD PRO A 95 -5.152 -11.391 -8.656 1.00 0.00 C ATOM 0 HA PRO A 95 -5.987 -12.445 -5.668 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.346 -11.647 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.890 -13.069 -6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.574 -10.243 -7.766 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.041 -11.738 -8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -5.335 -10.520 -9.285 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.181 -12.265 -9.306 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.613 -10.600 -4.050 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.645 -9.491 -3.100 1.00 0.00 C ATOM 1406 C PRO A 96 -4.244 -9.042 -2.695 1.00 0.00 C ATOM 1407 O PRO A 96 -3.260 -9.724 -2.982 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.378 -10.098 -1.910 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.982 -11.537 -1.920 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.693 -11.903 -3.359 1.00 0.00 C ATOM 0 HA PRO A 96 -6.119 -8.599 -3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.089 -9.614 -0.977 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.457 -9.983 -2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.103 -11.700 -1.296 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.780 -12.160 -1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.761 -12.461 -3.450 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.481 -12.529 -3.778 1.00 0.00 H new ATOM 1418 N VAL A 97 -4.158 -7.894 -2.029 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.871 -7.364 -1.588 1.00 0.00 C ATOM 1420 C VAL A 97 -2.932 -6.906 -0.132 1.00 0.00 C ATOM 1421 O VAL A 97 -3.766 -6.079 0.233 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.416 -6.182 -2.466 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.984 -5.792 -2.137 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.557 -6.524 -3.942 1.00 0.00 C ATOM 0 H VAL A 97 -4.961 -7.315 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.149 -8.175 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.059 -5.328 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.681 -4.956 -2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.918 -5.499 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.325 -6.641 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.231 -5.676 -4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.942 -7.393 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.600 -6.748 -4.166 1.00 0.00 H new ATOM 1434 N GLU A 98 -2.039 -7.446 0.693 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.994 -7.097 2.111 1.00 0.00 C ATOM 1436 C GLU A 98 -0.979 -5.988 2.377 1.00 0.00 C ATOM 1437 O GLU A 98 0.061 -5.913 1.722 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.634 -8.328 2.948 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.742 -9.363 3.035 1.00 0.00 C ATOM 1440 CD GLU A 98 -3.150 -9.905 1.679 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.511 -10.869 1.209 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -4.108 -9.365 1.087 1.00 0.00 O ATOM 0 H GLU A 98 -1.337 -8.127 0.405 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.983 -6.737 2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.746 -8.796 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.373 -8.005 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.413 -10.188 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.611 -8.918 3.519 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.292 -5.130 3.343 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.408 -4.029 3.717 1.00 0.00 C ATOM 1451 C PHE A 99 -0.256 -3.966 5.236 1.00 0.00 C ATOM 1452 O PHE A 99 -1.118 -4.446 5.970 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.962 -2.699 3.207 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.726 -2.438 1.747 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.443 -3.121 0.779 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.205 -1.493 1.345 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.235 -2.866 -0.563 1.00 0.00 C ATOM 1458 CE2 PHE A 99 0.418 -1.237 0.005 1.00 0.00 C ATOM 1459 CZ PHE A 99 -0.303 -1.924 -0.951 1.00 0.00 C ATOM 0 H PHE A 99 -2.156 -5.176 3.884 1.00 0.00 H new ATOM 0 HA PHE A 99 0.567 -4.206 3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.035 -2.671 3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.514 -1.890 3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.172 -3.860 1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.770 -0.951 2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.802 -3.404 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.148 -0.500 -0.295 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.138 -1.725 -2.000 1.00 0.00 H new ATOM 1469 N ALA A 100 0.838 -3.370 5.706 1.00 0.00 N ATOM 1470 CA ALA A 100 1.075 -3.256 7.143 1.00 0.00 C ATOM 1471 C ALA A 100 2.013 -2.098 7.472 1.00 0.00 C ATOM 1472 O ALA A 100 2.666 -1.541 6.591 1.00 0.00 O ATOM 1473 CB ALA A 100 1.635 -4.558 7.691 1.00 0.00 C ATOM 0 H ALA A 100 1.567 -2.963 5.120 1.00 0.00 H new ATOM 0 HA ALA A 100 0.116 -3.050 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.806 -4.458 8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.924 -5.364 7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.577 -4.787 7.193 1.00 0.00 H new ATOM 1479 N THR A 101 2.070 -1.747 8.756 1.00 0.00 N ATOM 1480 CA THR A 101 2.927 -0.663 9.225 1.00 0.00 C ATOM 1481 C THR A 101 3.574 -1.021 10.558 1.00 0.00 C ATOM 1482 O THR A 101 3.432 -2.142 11.047 1.00 0.00 O ATOM 1483 CB THR A 101 2.139 0.650 9.392 1.00 0.00 C ATOM 1484 OG1 THR A 101 0.962 0.420 10.174 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.752 1.230 8.040 1.00 0.00 C ATOM 0 H THR A 101 1.529 -2.201 9.492 1.00 0.00 H new ATOM 0 HA THR A 101 3.698 -0.520 8.468 1.00 0.00 H new ATOM 0 HB THR A 101 2.780 1.367 9.904 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.063 0.847 11.050 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.197 2.156 8.187 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.652 1.435 7.461 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.129 0.515 7.502 1.00 0.00 H new ATOM 1493 N ASP A 102 4.285 -0.062 11.141 1.00 0.00 N ATOM 1494 CA ASP A 102 4.950 -0.274 12.421 1.00 0.00 C ATOM 1495 C ASP A 102 4.532 0.791 13.428 1.00 0.00 C ATOM 1496 O ASP A 102 5.069 0.861 14.534 1.00 0.00 O ATOM 1497 CB ASP A 102 6.469 -0.254 12.240 1.00 0.00 C ATOM 1498 CG ASP A 102 6.956 -1.351 11.315 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.250 -2.459 11.810 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.044 -1.102 10.094 1.00 0.00 O ATOM 0 H ASP A 102 4.416 0.870 10.747 1.00 0.00 H new ATOM 0 HA ASP A 102 4.651 -1.250 12.803 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.772 0.714 11.841 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.949 -0.363 13.212 1.00 0.00 H new ATOM 1505 N ARG A 103 3.565 1.617 13.038 1.00 0.00 N ATOM 1506 CA ARG A 103 3.070 2.683 13.901 1.00 0.00 C ATOM 1507 C ARG A 103 1.579 2.913 13.676 1.00 0.00 C ATOM 1508 O ARG A 103 1.025 2.506 12.654 1.00 0.00 O ATOM 1509 CB ARG A 103 3.840 3.980 13.640 1.00 0.00 C ATOM 1510 CG ARG A 103 5.325 3.882 13.949 1.00 0.00 C ATOM 1511 CD ARG A 103 6.015 5.228 13.804 1.00 0.00 C ATOM 1512 NE ARG A 103 5.561 6.187 14.807 1.00 0.00 N ATOM 1513 CZ ARG A 103 6.214 7.305 15.108 1.00 0.00 C ATOM 1514 NH1 ARG A 103 7.344 7.606 14.482 1.00 0.00 N ATOM 1515 NH2 ARG A 103 5.737 8.124 16.036 1.00 0.00 N ATOM 0 H ARG A 103 3.108 1.567 12.127 1.00 0.00 H new ATOM 0 HA ARG A 103 3.224 2.379 14.936 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.713 4.263 12.595 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.405 4.778 14.242 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.462 3.509 14.964 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.790 3.160 13.278 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.093 5.094 13.893 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.824 5.628 12.808 1.00 0.00 H new ATOM 0 HE ARG A 103 4.693 5.988 15.305 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.714 6.979 13.768 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.843 8.465 14.715 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.868 7.896 16.519 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.239 8.982 16.266 1.00 0.00 H new ATOM 1529 N VAL A 104 0.935 3.565 14.637 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.493 3.850 14.545 1.00 0.00 C ATOM 1531 C VAL A 104 -0.762 5.030 13.617 1.00 0.00 C ATOM 1532 O VAL A 104 -1.707 5.007 12.827 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.095 4.151 15.932 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -2.589 4.417 15.821 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -0.822 3.004 16.893 1.00 0.00 C ATOM 0 H VAL A 104 1.379 3.907 15.489 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.968 2.958 14.137 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.618 5.048 16.327 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.996 4.627 16.810 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.759 5.274 15.169 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.085 3.540 15.404 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.254 3.234 17.867 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.270 2.089 16.504 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.254 2.865 16.997 1.00 0.00 H new ATOM 1545 N GLU A 105 0.072 6.061 13.716 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.081 7.251 12.885 1.00 0.00 C ATOM 1547 C GLU A 105 0.159 6.927 11.414 1.00 0.00 C ATOM 1548 O GLU A 105 -0.600 7.357 10.545 1.00 0.00 O ATOM 1549 CB GLU A 105 0.879 8.348 13.345 1.00 0.00 C ATOM 1550 CG GLU A 105 2.306 7.865 13.518 1.00 0.00 C ATOM 1551 CD GLU A 105 3.215 8.927 14.107 1.00 0.00 C ATOM 1552 OE1 GLU A 105 3.238 9.067 15.347 1.00 0.00 O ATOM 1553 OE2 GLU A 105 3.904 9.617 13.326 1.00 0.00 O ATOM 0 H GLU A 105 0.860 6.097 14.363 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.105 7.608 12.993 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.864 9.161 12.620 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.525 8.758 14.291 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.313 6.987 14.164 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.699 7.551 12.551 1.00 0.00 H new ATOM 1560 N GLU A 106 1.217 6.171 11.142 1.00 0.00 N ATOM 1561 CA GLU A 106 1.550 5.788 9.774 1.00 0.00 C ATOM 1562 C GLU A 106 0.448 4.921 9.179 1.00 0.00 C ATOM 1563 O GLU A 106 0.197 4.955 7.974 1.00 0.00 O ATOM 1564 CB GLU A 106 2.875 5.025 9.741 1.00 0.00 C ATOM 1565 CG GLU A 106 4.003 5.724 10.480 1.00 0.00 C ATOM 1566 CD GLU A 106 4.393 7.041 9.839 1.00 0.00 C ATOM 1567 OE1 GLU A 106 3.805 8.080 10.209 1.00 0.00 O ATOM 1568 OE2 GLU A 106 5.287 7.035 8.967 1.00 0.00 O ATOM 0 H GLU A 106 1.858 5.811 11.849 1.00 0.00 H new ATOM 0 HA GLU A 106 1.646 6.697 9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.726 4.037 10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.171 4.875 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.701 5.902 11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.873 5.068 10.511 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.205 4.145 10.036 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.278 3.260 9.605 1.00 0.00 C ATOM 1577 C LEU A 107 -2.452 4.052 9.045 1.00 0.00 C ATOM 1578 O LEU A 107 -2.865 3.845 7.905 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.764 2.403 10.775 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.813 1.354 10.406 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.142 0.031 10.091 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.828 1.180 11.522 1.00 0.00 C ATOM 0 H LEU A 107 -0.009 4.112 11.036 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.880 2.617 8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.906 1.898 11.219 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.179 3.059 11.540 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.344 1.701 9.519 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.899 -0.708 9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.457 0.161 9.253 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.586 -0.312 10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.562 0.428 11.232 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.318 0.859 12.430 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.333 2.128 11.705 1.00 0.00 H new ATOM 1594 N PHE A 108 -2.979 4.962 9.854 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.118 5.774 9.449 1.00 0.00 C ATOM 1596 C PHE A 108 -3.757 6.703 8.296 1.00 0.00 C ATOM 1597 O PHE A 108 -4.545 6.892 7.381 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.637 6.592 10.632 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.135 6.633 10.718 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -6.847 5.527 11.154 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -6.831 7.778 10.364 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.226 5.563 11.233 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.210 7.819 10.442 1.00 0.00 C ATOM 1604 CZ PHE A 108 -8.909 6.709 10.878 1.00 0.00 C ATOM 0 H PHE A 108 -2.635 5.156 10.795 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.902 5.097 9.109 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.239 6.173 11.556 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.257 7.611 10.554 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.319 4.628 11.435 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.289 8.648 10.023 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.770 4.694 11.573 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.741 8.717 10.163 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.987 6.738 10.941 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.562 7.273 8.338 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.121 8.193 7.293 1.00 0.00 C ATOM 1616 C GLU A 109 -2.148 7.538 5.912 1.00 0.00 C ATOM 1617 O GLU A 109 -2.833 8.008 4.999 1.00 0.00 O ATOM 1618 CB GLU A 109 -0.706 8.688 7.602 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.141 9.630 6.551 1.00 0.00 C ATOM 1620 CD GLU A 109 -0.936 10.915 6.429 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -1.892 10.948 5.626 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -0.603 11.888 7.138 1.00 0.00 O ATOM 0 H GLU A 109 -1.880 7.117 9.081 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.814 9.035 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.712 9.196 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.044 7.828 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.892 9.869 6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.126 9.124 5.586 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.416 6.440 5.774 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.323 5.728 4.504 1.00 0.00 C ATOM 1631 C TRP A 110 -2.635 5.055 4.106 1.00 0.00 C ATOM 1632 O TRP A 110 -3.099 5.206 2.976 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.216 4.676 4.578 1.00 0.00 C ATOM 1634 CG TRP A 110 1.122 5.191 4.149 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.213 5.406 4.940 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.509 5.560 2.821 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.257 5.884 4.184 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.848 5.987 2.880 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.853 5.570 1.587 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.542 6.417 1.754 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.543 5.998 0.468 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.876 6.416 0.559 1.00 0.00 C ATOM 0 H TRP A 110 -0.875 6.021 6.530 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.093 6.471 3.741 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.144 4.306 5.601 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.489 3.827 3.951 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.251 5.227 6.004 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.184 6.123 4.536 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.175 5.249 1.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.570 6.740 1.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.046 6.010 -0.491 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.389 6.744 -0.333 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.229 4.318 5.034 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.466 3.594 4.757 1.00 0.00 C ATOM 1655 C PHE A 111 -5.656 4.521 4.522 1.00 0.00 C ATOM 1656 O PHE A 111 -6.558 4.182 3.761 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.740 2.587 5.876 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.822 1.400 5.795 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.514 0.835 4.567 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -3.253 0.859 6.934 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.660 -0.240 4.477 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -2.397 -0.224 6.848 1.00 0.00 C ATOM 1663 CZ PHE A 111 -2.100 -0.772 5.619 1.00 0.00 C ATOM 0 H PHE A 111 -2.877 4.204 5.984 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.330 3.051 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.618 3.076 6.843 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.775 2.251 5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.951 1.245 3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.479 1.286 7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.428 -0.667 3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.961 -0.640 7.744 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.430 -1.616 5.551 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.663 5.686 5.158 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.757 6.633 4.961 1.00 0.00 C ATOM 1675 C GLN A 112 -6.687 7.202 3.550 1.00 0.00 C ATOM 1676 O GLN A 112 -7.714 7.447 2.920 1.00 0.00 O ATOM 1677 CB GLN A 112 -6.705 7.758 5.999 1.00 0.00 C ATOM 1678 CG GLN A 112 -7.975 8.590 6.078 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.091 9.601 4.953 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -9.192 9.929 4.512 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -6.954 10.104 4.487 1.00 0.00 N ATOM 0 H GLN A 112 -4.937 5.996 5.804 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.704 6.108 5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.506 7.324 6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -5.867 8.415 5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.840 7.927 6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.001 9.113 7.034 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.063 9.803 4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -6.971 10.791 3.733 1.00 0.00 H new ATOM 1690 N SER A 113 -5.464 7.411 3.061 1.00 0.00 N ATOM 1691 CA SER A 113 -5.261 7.926 1.709 1.00 0.00 C ATOM 1692 C SER A 113 -5.693 6.884 0.684 1.00 0.00 C ATOM 1693 O SER A 113 -6.334 7.213 -0.314 1.00 0.00 O ATOM 1694 CB SER A 113 -3.794 8.302 1.493 1.00 0.00 C ATOM 1695 OG SER A 113 -3.583 8.809 0.188 1.00 0.00 O ATOM 0 H SER A 113 -4.604 7.232 3.579 1.00 0.00 H new ATOM 0 HA SER A 113 -5.869 8.822 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.495 9.048 2.229 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.164 7.427 1.652 1.00 0.00 H new ATOM 0 HG SER A 113 -2.752 9.328 0.169 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.333 5.625 0.927 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.719 4.546 0.027 1.00 0.00 C ATOM 1703 C ILE A 114 -7.239 4.473 -0.043 1.00 0.00 C ATOM 1704 O ILE A 114 -7.815 4.158 -1.085 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.156 3.180 0.482 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.622 3.194 0.440 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.705 2.061 -0.394 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.982 1.884 0.862 1.00 0.00 C ATOM 0 H ILE A 114 -4.780 5.331 1.732 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.301 4.763 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.471 2.999 1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.298 3.435 -0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.258 3.990 1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.299 1.106 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.792 2.040 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.417 2.236 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.897 1.974 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.274 1.650 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.315 1.086 0.198 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.877 4.775 1.084 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.331 4.779 1.173 1.00 0.00 C ATOM 1722 C ARG A 115 -9.889 6.033 0.510 1.00 0.00 C ATOM 1723 O ARG A 115 -10.982 6.025 -0.046 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.773 4.723 2.638 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.447 3.413 3.331 1.00 0.00 C ATOM 1726 CD ARG A 115 -9.878 3.442 4.787 1.00 0.00 C ATOM 1727 NE ARG A 115 -8.805 3.031 5.687 1.00 0.00 N ATOM 1728 CZ ARG A 115 -8.664 3.496 6.926 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -9.531 4.374 7.411 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -7.656 3.083 7.681 1.00 0.00 N ATOM 0 H ARG A 115 -7.404 5.022 1.954 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.716 3.900 0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.296 5.538 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.849 4.891 2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.947 2.592 2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.376 3.222 3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -10.203 4.449 5.048 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -10.736 2.784 4.923 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.126 2.350 5.348 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.309 4.695 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -9.420 4.729 8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -6.986 2.407 7.313 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.550 3.441 8.630 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.115 7.110 0.567 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.522 8.380 -0.022 1.00 0.00 C ATOM 1746 C GLU A 116 -9.815 8.224 -1.512 1.00 0.00 C ATOM 1747 O GLU A 116 -10.485 9.064 -2.112 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.427 9.431 0.188 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.510 10.143 1.528 1.00 0.00 C ATOM 1750 CD GLU A 116 -7.527 11.294 1.634 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -6.330 11.033 1.876 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -7.957 12.456 1.475 1.00 0.00 O ATOM 0 H GLU A 116 -8.200 7.129 1.016 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.436 8.708 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.453 8.949 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.488 10.171 -0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.523 10.519 1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.316 9.429 2.328 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.308 7.146 -2.103 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.506 6.889 -3.525 1.00 0.00 C ATOM 1761 C ILE A 117 -10.459 5.717 -3.774 1.00 0.00 C ATOM 1762 O ILE A 117 -11.160 5.686 -4.786 1.00 0.00 O ATOM 1763 CB ILE A 117 -8.159 6.609 -4.221 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.193 7.771 -3.975 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.363 6.388 -5.713 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.760 7.460 -4.346 1.00 0.00 C ATOM 0 H ILE A 117 -8.757 6.437 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.957 7.788 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.729 5.700 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.527 8.637 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.234 8.049 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.401 6.192 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -9.024 5.535 -5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.810 7.278 -6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.135 8.330 -4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.407 6.614 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.704 7.211 -5.406 1.00 0.00 H new ATOM 1778 N THR A 118 -10.487 4.757 -2.851 1.00 0.00 N ATOM 1779 CA THR A 118 -11.348 3.582 -2.999 1.00 0.00 C ATOM 1780 C THR A 118 -12.429 3.519 -1.922 1.00 0.00 C ATOM 1781 O THR A 118 -12.997 2.457 -1.667 1.00 0.00 O ATOM 1782 CB THR A 118 -10.526 2.282 -2.944 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.847 2.185 -1.685 1.00 0.00 O ATOM 1784 CG2 THR A 118 -9.511 2.230 -4.075 1.00 0.00 C ATOM 0 H THR A 118 -9.928 4.768 -1.998 1.00 0.00 H new ATOM 0 HA THR A 118 -11.827 3.679 -3.973 1.00 0.00 H new ATOM 0 HB THR A 118 -11.212 1.442 -3.055 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.200 2.917 -1.605 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.944 1.301 -4.012 1.00 0.00 H new ATOM 0 HG22 THR A 118 -10.030 2.274 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.830 3.077 -3.992 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.717 4.655 -1.299 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.731 4.709 -0.249 1.00 0.00 C ATOM 1794 C TRP A 119 -14.430 6.072 -0.224 1.00 0.00 C ATOM 1795 O TRP A 119 -15.302 6.321 0.609 1.00 0.00 O ATOM 1796 CB TRP A 119 -13.081 4.405 1.108 1.00 0.00 C ATOM 1797 CG TRP A 119 -14.029 4.439 2.266 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -14.122 5.418 3.211 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -15.010 3.454 2.607 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -15.100 5.102 4.120 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.661 3.901 3.772 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.402 2.237 2.041 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.682 3.176 4.380 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.416 1.518 2.645 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -17.046 1.989 3.803 1.00 0.00 C ATOM 0 H TRP A 119 -12.266 5.548 -1.500 1.00 0.00 H new ATOM 0 HA TRP A 119 -14.491 3.956 -0.458 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.616 3.420 1.063 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.283 5.126 1.285 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.515 6.311 3.240 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.366 5.669 4.925 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.921 1.866 1.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.169 3.537 5.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.728 0.577 2.216 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.836 1.404 4.251 1.00 0.00 H new ATOM 1816 N LYS A 120 -14.057 6.946 -1.154 1.00 0.00 N ATOM 1817 CA LYS A 120 -14.649 8.278 -1.235 1.00 0.00 C ATOM 1818 C LYS A 120 -16.010 8.232 -1.926 1.00 0.00 C ATOM 1819 O LYS A 120 -16.504 9.249 -2.413 1.00 0.00 O ATOM 1820 CB LYS A 120 -13.717 9.230 -1.987 1.00 0.00 C ATOM 1821 CG LYS A 120 -13.463 8.820 -3.428 1.00 0.00 C ATOM 1822 CD LYS A 120 -12.669 9.877 -4.179 1.00 0.00 C ATOM 1823 CE LYS A 120 -12.414 9.465 -5.619 1.00 0.00 C ATOM 1824 NZ LYS A 120 -13.682 9.243 -6.368 1.00 0.00 N ATOM 0 H LYS A 120 -13.348 6.756 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.790 8.644 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.146 10.232 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -12.764 9.284 -1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -12.921 7.875 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -14.415 8.652 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -13.212 10.822 -4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -11.718 10.046 -3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -11.828 10.236 -6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -11.819 8.552 -5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -13.480 9.198 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -14.114 8.348 -6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -14.338 10.027 -6.179 1.00 0.00 H new ATOM 1838 N ILE A 121 -16.613 7.049 -1.958 1.00 0.00 N ATOM 1839 CA ILE A 121 -17.914 6.869 -2.591 1.00 0.00 C ATOM 1840 C ILE A 121 -19.026 7.450 -1.724 1.00 0.00 C ATOM 1841 O ILE A 121 -19.620 6.749 -0.904 1.00 0.00 O ATOM 1842 CB ILE A 121 -18.208 5.382 -2.865 1.00 0.00 C ATOM 1843 CG1 ILE A 121 -17.073 4.760 -3.683 1.00 0.00 C ATOM 1844 CG2 ILE A 121 -19.539 5.229 -3.589 1.00 0.00 C ATOM 1845 CD1 ILE A 121 -17.213 3.266 -3.882 1.00 0.00 C ATOM 0 H ILE A 121 -16.221 6.199 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 121 -17.882 7.401 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 121 -18.275 4.857 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -17.032 5.245 -4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -16.125 4.964 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -19.732 4.173 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -20.338 5.641 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -19.501 5.764 -4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -16.373 2.897 -4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -17.223 2.769 -2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -18.144 3.055 -4.407 1.00 0.00 H new ATOM 1857 N ASP A 122 -19.292 8.738 -1.904 1.00 0.00 N ATOM 1858 CA ASP A 122 -20.333 9.419 -1.143 1.00 0.00 C ATOM 1859 C ASP A 122 -21.291 10.157 -2.073 1.00 0.00 C ATOM 1860 O ASP A 122 -20.896 11.088 -2.775 1.00 0.00 O ATOM 1861 CB ASP A 122 -19.709 10.402 -0.152 1.00 0.00 C ATOM 1862 CG ASP A 122 -18.791 9.716 0.842 1.00 0.00 C ATOM 1863 OD1 ASP A 122 -19.282 9.298 1.913 1.00 0.00 O ATOM 1864 OD2 ASP A 122 -17.583 9.597 0.551 1.00 0.00 O ATOM 0 H ASP A 122 -18.801 9.333 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 122 -20.897 8.666 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -19.147 11.158 -0.700 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.501 10.922 0.387 1.00 0.00 H new ATOM 1869 N THR A 123 -22.551 9.734 -2.072 1.00 0.00 N ATOM 1870 CA THR A 123 -23.566 10.354 -2.916 1.00 0.00 C ATOM 1871 C THR A 123 -23.981 11.714 -2.366 1.00 0.00 C ATOM 1872 O THR A 123 -24.526 11.811 -1.266 1.00 0.00 O ATOM 1873 CB THR A 123 -24.815 9.460 -3.042 1.00 0.00 C ATOM 1874 OG1 THR A 123 -24.445 8.169 -3.541 1.00 0.00 O ATOM 1875 CG2 THR A 123 -25.843 10.090 -3.971 1.00 0.00 C ATOM 0 H THR A 123 -22.893 8.965 -1.496 1.00 0.00 H new ATOM 0 HA THR A 123 -23.121 10.484 -3.903 1.00 0.00 H new ATOM 0 HB THR A 123 -25.259 9.355 -2.052 1.00 0.00 H new ATOM 0 HG1 THR A 123 -25.244 7.606 -3.617 1.00 0.00 H new ATOM 0 HG21 THR A 123 -26.715 9.440 -4.043 1.00 0.00 H new ATOM 0 HG22 THR A 123 -26.145 11.060 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A 123 -25.406 10.222 -4.961 1.00 0.00 H new ATOM 1883 N LYS A 124 -23.718 12.764 -3.138 1.00 0.00 N ATOM 1884 CA LYS A 124 -24.063 14.121 -2.730 1.00 0.00 C ATOM 1885 C LYS A 124 -25.401 14.544 -3.327 1.00 0.00 C ATOM 1886 O LYS A 124 -26.434 14.354 -2.653 1.00 0.00 O ATOM 1887 CB LYS A 124 -22.965 15.099 -3.156 1.00 0.00 C ATOM 1888 CG LYS A 124 -23.219 16.534 -2.718 1.00 0.00 C ATOM 1889 CD LYS A 124 -23.217 16.671 -1.201 1.00 0.00 C ATOM 1890 CE LYS A 124 -21.841 16.396 -0.615 1.00 0.00 C ATOM 1891 NZ LYS A 124 -20.816 17.344 -1.134 1.00 0.00 N ATOM 1892 OXT LYS A 124 -25.404 15.061 -4.465 1.00 0.00 O ATOM 0 H LYS A 124 -23.267 12.701 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 124 -24.150 14.137 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -22.013 14.765 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -22.868 15.072 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -22.454 17.184 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -24.178 16.870 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -23.536 17.676 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -23.941 15.978 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -21.888 16.471 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -21.543 15.374 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -19.972 17.309 -0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -20.556 17.077 -2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -21.203 18.309 -1.133 1.00 0.00 H new TER 1906 LYS A 124