USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 888 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 65 GLN : amide:sc= -0.0428 X(o=-0.043,f=0) USER MOD Set 1.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 61 TYR OH : rot 110:sc= -2.93! USER MOD Set 3.1: A 2 GLN : amide:sc= -0.514 K(o=-1.3,f=-4.3!) USER MOD Set 3.2: A 6 CYS SG : rot 180:sc= -0.0579 USER MOD Set 3.3: A 106 MET CE :methyl -152:sc= -0.696 (180deg=-0.769) USER MOD Single : A 1 GLU N :NH3+ 153:sc= -0.25 (180deg=-1.17!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0587 X(o=-0.059,f=-0.22) USER MOD Single : A 7 ASN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0627) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-4.4!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 124:sc= -1.33 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.357 X(o=-0.36,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.303 USER MOD Single : A 40 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.082) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.168) USER MOD Single : A 45 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-0.79) USER MOD Single : A 47 MET CE :methyl 145:sc= -0.961 (180deg=-3.79!) USER MOD Single : A 50 SER OG : rot 37:sc= 1.1 USER MOD Single : A 51 THR OG1 : rot 123:sc= 0.274 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc=-0.00354 X(o=-0.0035,f=0) USER MOD Single : A 74 MET CE :methyl 175:sc= -0.113 (180deg=-0.19) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.08 K(o=-2.1,f=-3!) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot -107:sc= -1.28 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 86 HIS : no HD1:sc= -0.953 K(o=-0.95,f=-1.8) USER MOD Single : A 91 MET CE :methyl -139:sc= 0 (180deg=-0.281) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.1!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.426 13.519 0.696 1.00 0.00 N ATOM 2 CA GLU A 1 -14.830 12.560 -0.276 1.00 0.00 C ATOM 3 C GLU A 1 -13.731 11.720 0.375 1.00 0.00 C ATOM 4 O GLU A 1 -12.604 12.182 0.555 1.00 0.00 O ATOM 5 CB GLU A 1 -14.270 13.342 -1.472 1.00 0.00 C ATOM 6 CG GLU A 1 -13.285 14.440 -1.091 1.00 0.00 C ATOM 7 CD GLU A 1 -13.301 15.607 -2.059 1.00 0.00 C ATOM 8 OE1 GLU A 1 -13.040 15.387 -3.261 1.00 0.00 O ATOM 9 OE2 GLU A 1 -13.574 16.741 -1.615 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.800 14.344 0.185 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.198 13.053 1.214 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.696 13.830 1.368 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.606 11.874 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -13.776 12.645 -2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.099 13.787 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -13.520 14.801 -0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -12.279 14.021 -1.051 1.00 0.00 H new ATOM 18 N GLN A 2 -14.073 10.481 0.729 1.00 0.00 N ATOM 19 CA GLN A 2 -13.124 9.569 1.362 1.00 0.00 C ATOM 20 C GLN A 2 -12.201 8.925 0.327 1.00 0.00 C ATOM 21 O GLN A 2 -11.012 8.730 0.582 1.00 0.00 O ATOM 22 CB GLN A 2 -13.875 8.483 2.137 1.00 0.00 C ATOM 23 CG GLN A 2 -14.321 8.916 3.526 1.00 0.00 C ATOM 24 CD GLN A 2 -13.218 8.802 4.561 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.314 7.977 4.435 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.289 9.632 5.594 1.00 0.00 N ATOM 0 H GLN A 2 -15.003 10.086 0.587 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.510 10.148 2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.750 8.180 1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.234 7.606 2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.669 9.948 3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.169 8.306 3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.056 10.301 5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.576 9.601 6.323 1.00 0.00 H new ATOM 35 N LEU A 3 -12.757 8.594 -0.841 1.00 0.00 N ATOM 36 CA LEU A 3 -11.983 7.969 -1.913 1.00 0.00 C ATOM 37 C LEU A 3 -10.891 8.905 -2.428 1.00 0.00 C ATOM 38 O LEU A 3 -9.772 8.469 -2.704 1.00 0.00 O ATOM 39 CB LEU A 3 -12.902 7.558 -3.069 1.00 0.00 C ATOM 40 CG LEU A 3 -13.003 6.051 -3.318 1.00 0.00 C ATOM 41 CD1 LEU A 3 -14.142 5.745 -4.281 1.00 0.00 C ATOM 42 CD2 LEU A 3 -11.685 5.508 -3.855 1.00 0.00 C ATOM 0 H LEU A 3 -13.740 8.749 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.506 7.080 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.902 7.945 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.548 8.038 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.214 5.558 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.199 4.669 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.082 6.097 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.961 6.249 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.776 4.435 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.442 6.006 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.893 5.694 -3.130 1.00 0.00 H new ATOM 54 N LYS A 4 -11.221 10.191 -2.558 1.00 0.00 N ATOM 55 CA LYS A 4 -10.262 11.183 -3.042 1.00 0.00 C ATOM 56 C LYS A 4 -9.053 11.280 -2.111 1.00 0.00 C ATOM 57 O LYS A 4 -7.931 11.505 -2.565 1.00 0.00 O ATOM 58 CB LYS A 4 -10.931 12.554 -3.183 1.00 0.00 C ATOM 59 CG LYS A 4 -11.556 12.793 -4.551 1.00 0.00 C ATOM 60 CD LYS A 4 -12.761 11.894 -4.781 1.00 0.00 C ATOM 61 CE LYS A 4 -13.877 12.631 -5.507 1.00 0.00 C ATOM 62 NZ LYS A 4 -13.831 12.409 -6.980 1.00 0.00 N ATOM 0 H LYS A 4 -12.142 10.568 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.913 10.859 -4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.702 12.652 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.191 13.331 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.859 13.837 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.813 12.612 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.460 11.023 -5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.130 11.526 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.841 12.299 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.801 13.698 -5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.609 12.929 -7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.922 12.749 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.930 11.393 -7.181 1.00 0.00 H new ATOM 76 N HIS A 5 -9.286 11.101 -0.808 1.00 0.00 N ATOM 77 CA HIS A 5 -8.207 11.161 0.178 1.00 0.00 C ATOM 78 C HIS A 5 -7.144 10.103 -0.116 1.00 0.00 C ATOM 79 O HIS A 5 -5.946 10.382 -0.053 1.00 0.00 O ATOM 80 CB HIS A 5 -8.757 10.965 1.593 1.00 0.00 C ATOM 81 CG HIS A 5 -9.330 12.211 2.197 1.00 0.00 C ATOM 82 ND1 HIS A 5 -8.651 13.410 2.235 1.00 0.00 N ATOM 83 CD2 HIS A 5 -10.525 12.439 2.792 1.00 0.00 C ATOM 84 CE1 HIS A 5 -9.402 14.321 2.827 1.00 0.00 C ATOM 85 NE2 HIS A 5 -10.545 13.758 3.174 1.00 0.00 N ATOM 0 H HIS A 5 -10.208 10.914 -0.414 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.747 12.147 0.112 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.529 10.196 1.569 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.958 10.595 2.235 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.315 11.718 2.939 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -9.128 15.351 2.998 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.317 14.226 3.648 1.00 0.00 H new ATOM 94 N CYS A 6 -7.594 8.887 -0.440 1.00 0.00 N ATOM 95 CA CYS A 6 -6.684 7.784 -0.750 1.00 0.00 C ATOM 96 C CYS A 6 -5.859 8.092 -2.000 1.00 0.00 C ATOM 97 O CYS A 6 -4.672 7.769 -2.062 1.00 0.00 O ATOM 98 CB CYS A 6 -7.465 6.482 -0.953 1.00 0.00 C ATOM 99 SG CYS A 6 -8.197 5.811 0.558 1.00 0.00 S ATOM 0 H CYS A 6 -8.583 8.643 -0.494 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.006 7.663 0.095 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.258 6.657 -1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.798 5.735 -1.383 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.836 4.714 0.280 1.00 0.00 H new ATOM 105 N ASN A 7 -6.496 8.723 -2.990 1.00 0.00 N ATOM 106 CA ASN A 7 -5.820 9.079 -4.238 1.00 0.00 C ATOM 107 C ASN A 7 -4.598 9.957 -3.970 1.00 0.00 C ATOM 108 O ASN A 7 -3.568 9.820 -4.632 1.00 0.00 O ATOM 109 CB ASN A 7 -6.786 9.803 -5.182 1.00 0.00 C ATOM 110 CG ASN A 7 -7.563 8.842 -6.061 1.00 0.00 C ATOM 111 OD1 ASN A 7 -7.098 8.449 -7.131 1.00 0.00 O ATOM 112 ND2 ASN A 7 -8.753 8.456 -5.613 1.00 0.00 N ATOM 0 H ASN A 7 -7.478 8.997 -2.951 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.484 8.156 -4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.484 10.400 -4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.225 10.494 -5.811 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.319 7.809 -6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -9.100 8.807 -4.720 1.00 0.00 H new ATOM 119 N VAL A 8 -4.717 10.855 -2.992 1.00 0.00 N ATOM 120 CA VAL A 8 -3.620 11.749 -2.634 1.00 0.00 C ATOM 121 C VAL A 8 -2.477 10.976 -1.976 1.00 0.00 C ATOM 122 O VAL A 8 -1.305 11.226 -2.258 1.00 0.00 O ATOM 123 CB VAL A 8 -4.089 12.873 -1.682 1.00 0.00 C ATOM 124 CG1 VAL A 8 -2.972 13.882 -1.451 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.333 13.563 -2.231 1.00 0.00 C ATOM 0 H VAL A 8 -5.562 10.981 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.265 12.201 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.346 12.422 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.322 14.665 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.113 13.379 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.680 14.325 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.645 14.350 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.108 13.998 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.137 12.834 -2.337 1.00 0.00 H new ATOM 135 N ILE A 9 -2.829 10.030 -1.104 1.00 0.00 N ATOM 136 CA ILE A 9 -1.833 9.215 -0.411 1.00 0.00 C ATOM 137 C ILE A 9 -1.016 8.386 -1.405 1.00 0.00 C ATOM 138 O ILE A 9 0.192 8.218 -1.238 1.00 0.00 O ATOM 139 CB ILE A 9 -2.489 8.274 0.627 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.412 9.063 1.564 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.424 7.536 1.430 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.542 8.235 2.139 1.00 0.00 C ATOM 0 H ILE A 9 -3.795 9.810 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.170 9.902 0.114 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.089 7.539 0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.820 9.474 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.833 9.908 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.905 6.879 2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.806 6.942 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.798 8.258 1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.154 8.858 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.157 7.846 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.130 7.405 2.712 1.00 0.00 H new ATOM 154 N LEU A 10 -1.682 7.876 -2.444 1.00 0.00 N ATOM 155 CA LEU A 10 -1.011 7.072 -3.465 1.00 0.00 C ATOM 156 C LEU A 10 0.000 7.910 -4.251 1.00 0.00 C ATOM 157 O LEU A 10 1.091 7.436 -4.570 1.00 0.00 O ATOM 158 CB LEU A 10 -2.036 6.460 -4.426 1.00 0.00 C ATOM 159 CG LEU A 10 -1.749 5.017 -4.856 1.00 0.00 C ATOM 160 CD1 LEU A 10 -1.892 4.068 -3.675 1.00 0.00 C ATOM 161 CD2 LEU A 10 -2.677 4.603 -5.990 1.00 0.00 C ATOM 0 H LEU A 10 -2.682 8.006 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.475 6.271 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.018 6.493 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.091 7.084 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.721 4.964 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.684 3.049 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.186 4.350 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.908 4.124 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.459 3.576 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.712 4.673 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.525 5.263 -6.844 1.00 0.00 H new ATOM 173 N LYS A 11 -0.371 9.156 -4.557 1.00 0.00 N ATOM 174 CA LYS A 11 0.503 10.060 -5.304 1.00 0.00 C ATOM 175 C LYS A 11 1.803 10.327 -4.544 1.00 0.00 C ATOM 176 O LYS A 11 2.868 10.441 -5.150 1.00 0.00 O ATOM 177 CB LYS A 11 -0.219 11.380 -5.596 1.00 0.00 C ATOM 178 CG LYS A 11 -1.052 11.350 -6.870 1.00 0.00 C ATOM 179 CD LYS A 11 -2.041 12.504 -6.923 1.00 0.00 C ATOM 180 CE LYS A 11 -2.847 12.488 -8.214 1.00 0.00 C ATOM 181 NZ LYS A 11 -3.194 13.863 -8.673 1.00 0.00 N ATOM 0 H LYS A 11 -1.271 9.560 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 11 0.756 9.577 -6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.867 11.624 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.519 12.179 -5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.393 11.396 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.592 10.405 -6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.717 12.445 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.504 13.449 -6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.276 11.980 -8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.762 11.915 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.743 13.807 -9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.760 14.340 -7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.321 14.403 -8.842 1.00 0.00 H new ATOM 195 N GLU A 12 1.712 10.421 -3.216 1.00 0.00 N ATOM 196 CA GLU A 12 2.889 10.667 -2.381 1.00 0.00 C ATOM 197 C GLU A 12 3.853 9.479 -2.422 1.00 0.00 C ATOM 198 O GLU A 12 5.072 9.658 -2.389 1.00 0.00 O ATOM 199 CB GLU A 12 2.470 10.949 -0.934 1.00 0.00 C ATOM 200 CG GLU A 12 3.555 11.621 -0.104 1.00 0.00 C ATOM 201 CD GLU A 12 3.547 13.133 -0.235 1.00 0.00 C ATOM 202 OE1 GLU A 12 3.776 13.635 -1.356 1.00 0.00 O ATOM 203 OE2 GLU A 12 3.318 13.816 0.786 1.00 0.00 O ATOM 0 H GLU A 12 0.838 10.331 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 12 3.404 11.541 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.583 11.583 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.189 10.010 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.423 11.351 0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.529 11.240 -0.411 1.00 0.00 H new ATOM 210 N LEU A 13 3.299 8.266 -2.495 1.00 0.00 N ATOM 211 CA LEU A 13 4.108 7.048 -2.543 1.00 0.00 C ATOM 212 C LEU A 13 4.852 6.929 -3.876 1.00 0.00 C ATOM 213 O LEU A 13 6.008 6.506 -3.913 1.00 0.00 O ATOM 214 CB LEU A 13 3.227 5.812 -2.324 1.00 0.00 C ATOM 215 CG LEU A 13 2.473 5.772 -0.990 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.404 4.688 -1.015 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.441 5.547 0.166 1.00 0.00 C ATOM 0 H LEU A 13 2.293 8.102 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 13 4.846 7.107 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.501 5.756 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.853 4.923 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 13 1.983 6.734 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.878 4.673 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.695 4.895 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.873 3.719 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.887 5.522 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.961 4.599 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.168 6.359 0.195 1.00 0.00 H new ATOM 229 N LEU A 14 4.181 7.306 -4.965 1.00 0.00 N ATOM 230 CA LEU A 14 4.776 7.244 -6.303 1.00 0.00 C ATOM 231 C LEU A 14 5.584 8.509 -6.630 1.00 0.00 C ATOM 232 O LEU A 14 6.355 8.521 -7.590 1.00 0.00 O ATOM 233 CB LEU A 14 3.682 7.053 -7.359 1.00 0.00 C ATOM 234 CG LEU A 14 3.321 5.599 -7.676 1.00 0.00 C ATOM 235 CD1 LEU A 14 1.861 5.325 -7.340 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.601 5.290 -9.142 1.00 0.00 C ATOM 0 H LEU A 14 3.224 7.658 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 14 5.458 6.393 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.782 7.568 -7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.002 7.539 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 14 3.941 4.947 -7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.623 4.287 -7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.691 5.508 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.222 5.984 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.339 4.253 -9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.005 5.949 -9.773 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.659 5.447 -9.351 1.00 0.00 H new ATOM 248 N SER A 15 5.391 9.573 -5.843 1.00 0.00 N ATOM 249 CA SER A 15 6.088 10.844 -6.064 1.00 0.00 C ATOM 250 C SER A 15 7.610 10.664 -6.105 1.00 0.00 C ATOM 251 O SER A 15 8.214 10.697 -7.179 1.00 0.00 O ATOM 252 CB SER A 15 5.702 11.853 -4.976 1.00 0.00 C ATOM 253 OG SER A 15 6.570 12.975 -4.979 1.00 0.00 O ATOM 0 H SER A 15 4.756 9.578 -5.045 1.00 0.00 H new ATOM 0 HA SER A 15 5.778 11.225 -7.037 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.676 12.185 -5.133 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.735 11.368 -4.000 1.00 0.00 H new ATOM 0 HG SER A 15 6.298 13.601 -4.276 1.00 0.00 H new ATOM 259 N LYS A 16 8.222 10.480 -4.934 1.00 0.00 N ATOM 260 CA LYS A 16 9.673 10.299 -4.838 1.00 0.00 C ATOM 261 C LYS A 16 10.104 10.056 -3.392 1.00 0.00 C ATOM 262 O LYS A 16 10.914 9.169 -3.124 1.00 0.00 O ATOM 263 CB LYS A 16 10.421 11.511 -5.411 1.00 0.00 C ATOM 264 CG LYS A 16 10.016 12.842 -4.793 1.00 0.00 C ATOM 265 CD LYS A 16 10.061 13.968 -5.813 1.00 0.00 C ATOM 266 CE LYS A 16 11.456 14.571 -5.927 1.00 0.00 C ATOM 267 NZ LYS A 16 12.337 13.791 -6.845 1.00 0.00 N ATOM 0 H LYS A 16 7.736 10.452 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 16 9.930 9.420 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.491 11.366 -5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.249 11.555 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.009 12.762 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.682 13.076 -3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.747 13.590 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.351 14.745 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.378 15.597 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.913 14.614 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.233 14.301 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.531 12.857 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.862 13.670 -7.762 1.00 0.00 H new ATOM 281 N LYS A 17 9.553 10.843 -2.462 1.00 0.00 N ATOM 282 CA LYS A 17 9.878 10.700 -1.043 1.00 0.00 C ATOM 283 C LYS A 17 9.630 9.268 -0.568 1.00 0.00 C ATOM 284 O LYS A 17 10.426 8.713 0.190 1.00 0.00 O ATOM 285 CB LYS A 17 9.052 11.677 -0.204 1.00 0.00 C ATOM 286 CG LYS A 17 9.540 13.114 -0.284 1.00 0.00 C ATOM 287 CD LYS A 17 9.112 13.914 0.937 1.00 0.00 C ATOM 288 CE LYS A 17 8.030 14.928 0.593 1.00 0.00 C ATOM 289 NZ LYS A 17 6.720 14.277 0.290 1.00 0.00 N ATOM 0 H LYS A 17 8.882 11.583 -2.668 1.00 0.00 H new ATOM 0 HA LYS A 17 10.936 10.929 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.013 11.636 -0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.070 11.354 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.627 13.127 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.146 13.584 -1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.744 13.235 1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.976 14.431 1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.905 15.620 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.348 15.518 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.015 15.006 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.830 13.636 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.402 13.735 1.119 1.00 0.00 H new ATOM 303 N HIS A 18 8.526 8.674 -1.027 1.00 0.00 N ATOM 304 CA HIS A 18 8.178 7.303 -0.658 1.00 0.00 C ATOM 305 C HIS A 18 8.389 6.330 -1.825 1.00 0.00 C ATOM 306 O HIS A 18 8.005 5.160 -1.741 1.00 0.00 O ATOM 307 CB HIS A 18 6.727 7.238 -0.182 1.00 0.00 C ATOM 308 CG HIS A 18 6.585 7.399 1.297 1.00 0.00 C ATOM 309 ND1 HIS A 18 6.150 8.566 1.889 1.00 0.00 N ATOM 310 CD2 HIS A 18 6.829 6.533 2.308 1.00 0.00 C ATOM 311 CE1 HIS A 18 6.133 8.410 3.201 1.00 0.00 C ATOM 312 NE2 HIS A 18 6.541 7.185 3.480 1.00 0.00 N ATOM 0 H HIS A 18 7.859 9.122 -1.655 1.00 0.00 H new ATOM 0 HA HIS A 18 8.841 7.001 0.153 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.152 8.017 -0.683 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.296 6.282 -0.480 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.883 9.416 1.392 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.184 5.518 2.210 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.836 9.157 3.922 1.00 0.00 H new ATOM 321 N ALA A 19 9.008 6.810 -2.907 1.00 0.00 N ATOM 322 CA ALA A 19 9.272 5.975 -4.076 1.00 0.00 C ATOM 323 C ALA A 19 10.320 4.907 -3.769 1.00 0.00 C ATOM 324 O ALA A 19 10.286 3.819 -4.344 1.00 0.00 O ATOM 325 CB ALA A 19 9.726 6.830 -5.250 1.00 0.00 C ATOM 0 H ALA A 19 9.335 7.772 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 19 8.342 5.472 -4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.918 6.192 -6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.947 7.550 -5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.639 7.362 -4.981 1.00 0.00 H new ATOM 331 N ALA A 20 11.248 5.226 -2.859 1.00 0.00 N ATOM 332 CA ALA A 20 12.309 4.294 -2.471 1.00 0.00 C ATOM 333 C ALA A 20 11.744 2.926 -2.086 1.00 0.00 C ATOM 334 O ALA A 20 12.308 1.893 -2.446 1.00 0.00 O ATOM 335 CB ALA A 20 13.131 4.869 -1.326 1.00 0.00 C ATOM 0 H ALA A 20 11.284 6.125 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 20 12.957 4.154 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.915 4.163 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.584 5.810 -1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.484 5.046 -0.467 1.00 0.00 H new ATOM 341 N TYR A 21 10.626 2.927 -1.361 1.00 0.00 N ATOM 342 CA TYR A 21 9.982 1.682 -0.940 1.00 0.00 C ATOM 343 C TYR A 21 8.808 1.324 -1.865 1.00 0.00 C ATOM 344 O TYR A 21 8.170 0.282 -1.695 1.00 0.00 O ATOM 345 CB TYR A 21 9.486 1.790 0.510 1.00 0.00 C ATOM 346 CG TYR A 21 10.351 2.656 1.403 1.00 0.00 C ATOM 347 CD1 TYR A 21 11.735 2.527 1.404 1.00 0.00 C ATOM 348 CD2 TYR A 21 9.781 3.603 2.244 1.00 0.00 C ATOM 349 CE1 TYR A 21 12.525 3.316 2.217 1.00 0.00 C ATOM 350 CE2 TYR A 21 10.563 4.396 3.060 1.00 0.00 C ATOM 351 CZ TYR A 21 11.935 4.249 3.044 1.00 0.00 C ATOM 352 OH TYR A 21 12.721 5.038 3.854 1.00 0.00 O ATOM 0 H TYR A 21 10.148 3.774 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 21 10.727 0.889 -1.003 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.473 2.192 0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.431 0.789 0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.201 1.797 0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.708 3.721 2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.599 3.203 2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 21 10.103 5.128 3.708 1.00 0.00 H new ATOM 0 HH TYR A 21 12.151 5.643 4.373 1.00 0.00 H new ATOM 362 N ALA A 22 8.527 2.192 -2.845 1.00 0.00 N ATOM 363 CA ALA A 22 7.435 1.969 -3.789 1.00 0.00 C ATOM 364 C ALA A 22 7.861 1.077 -4.955 1.00 0.00 C ATOM 365 O ALA A 22 7.157 0.128 -5.293 1.00 0.00 O ATOM 366 CB ALA A 22 6.909 3.298 -4.312 1.00 0.00 C ATOM 0 H ALA A 22 9.045 3.057 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 22 6.640 1.452 -3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.096 3.116 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.542 3.897 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.712 3.834 -4.818 1.00 0.00 H new ATOM 372 N TRP A 23 9.008 1.386 -5.573 1.00 0.00 N ATOM 373 CA TRP A 23 9.498 0.597 -6.708 1.00 0.00 C ATOM 374 C TRP A 23 9.736 -0.876 -6.339 1.00 0.00 C ATOM 375 O TRP A 23 9.504 -1.757 -7.169 1.00 0.00 O ATOM 376 CB TRP A 23 10.770 1.211 -7.320 1.00 0.00 C ATOM 377 CG TRP A 23 11.934 1.308 -6.380 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.360 2.422 -5.719 1.00 0.00 C ATOM 379 CD2 TRP A 23 12.830 0.253 -6.006 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.454 2.125 -4.947 1.00 0.00 N ATOM 381 CE2 TRP A 23 13.764 0.800 -5.107 1.00 0.00 C ATOM 382 CE3 TRP A 23 12.929 -1.101 -6.339 1.00 0.00 C ATOM 383 CZ2 TRP A 23 14.784 0.040 -4.538 1.00 0.00 C ATOM 384 CZ3 TRP A 23 13.941 -1.854 -5.774 1.00 0.00 C ATOM 385 CH2 TRP A 23 14.856 -1.282 -4.883 1.00 0.00 C ATOM 0 H TRP A 23 9.608 2.168 -5.309 1.00 0.00 H new ATOM 0 HA TRP A 23 8.709 0.623 -7.460 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.066 0.614 -8.183 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.534 2.209 -7.689 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.902 3.397 -5.793 1.00 0.00 H new ATOM 0 HE1 TRP A 23 13.955 2.783 -4.351 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.227 -1.551 -7.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.492 0.478 -3.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.027 -2.901 -6.024 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.636 -1.897 -4.459 1.00 0.00 H new ATOM 396 N PRO A 24 10.188 -1.183 -5.097 1.00 0.00 N ATOM 397 CA PRO A 24 10.428 -2.566 -4.673 1.00 0.00 C ATOM 398 C PRO A 24 9.125 -3.339 -4.502 1.00 0.00 C ATOM 399 O PRO A 24 8.993 -4.462 -4.989 1.00 0.00 O ATOM 400 CB PRO A 24 11.150 -2.433 -3.323 1.00 0.00 C ATOM 401 CG PRO A 24 11.481 -0.985 -3.177 1.00 0.00 C ATOM 402 CD PRO A 24 10.487 -0.238 -4.015 1.00 0.00 C ATOM 0 HA PRO A 24 11.007 -3.118 -5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.515 -2.773 -2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.052 -3.044 -3.301 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.420 -0.676 -2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.499 -0.784 -3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.593 0.020 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.902 0.695 -4.397 1.00 0.00 H new ATOM 410 N PHE A 25 8.160 -2.726 -3.812 1.00 0.00 N ATOM 411 CA PHE A 25 6.862 -3.358 -3.584 1.00 0.00 C ATOM 412 C PHE A 25 5.928 -3.199 -4.793 1.00 0.00 C ATOM 413 O PHE A 25 4.803 -3.702 -4.780 1.00 0.00 O ATOM 414 CB PHE A 25 6.204 -2.775 -2.331 1.00 0.00 C ATOM 415 CG PHE A 25 6.753 -3.339 -1.048 1.00 0.00 C ATOM 416 CD1 PHE A 25 6.230 -4.503 -0.509 1.00 0.00 C ATOM 417 CD2 PHE A 25 7.793 -2.705 -0.384 1.00 0.00 C ATOM 418 CE1 PHE A 25 6.733 -5.026 0.668 1.00 0.00 C ATOM 419 CE2 PHE A 25 8.299 -3.224 0.793 1.00 0.00 C ATOM 420 CZ PHE A 25 7.768 -4.385 1.320 1.00 0.00 C ATOM 0 H PHE A 25 8.254 -1.796 -3.404 1.00 0.00 H new ATOM 0 HA PHE A 25 7.036 -4.424 -3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.338 -1.693 -2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.131 -2.964 -2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.420 -5.008 -1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.212 -1.796 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.317 -5.935 1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.109 -2.722 1.300 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.161 -4.791 2.240 1.00 0.00 H new ATOM 430 N TYR A 26 6.397 -2.504 -5.835 1.00 0.00 N ATOM 431 CA TYR A 26 5.599 -2.294 -7.039 1.00 0.00 C ATOM 432 C TYR A 26 5.515 -3.574 -7.868 1.00 0.00 C ATOM 433 O TYR A 26 4.426 -4.006 -8.247 1.00 0.00 O ATOM 434 CB TYR A 26 6.197 -1.166 -7.885 1.00 0.00 C ATOM 435 CG TYR A 26 5.167 -0.208 -8.442 1.00 0.00 C ATOM 436 CD1 TYR A 26 4.245 -0.625 -9.395 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.119 1.115 -8.017 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.307 0.248 -9.910 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.182 1.994 -8.527 1.00 0.00 C ATOM 440 CZ TYR A 26 3.279 1.555 -9.473 1.00 0.00 C ATOM 441 OH TYR A 26 2.345 2.427 -9.985 1.00 0.00 O ATOM 0 H TYR A 26 7.324 -2.080 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 26 4.592 -2.014 -6.730 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.908 -0.607 -7.277 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.758 -1.603 -8.711 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.262 -1.649 -9.738 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.825 1.461 -7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.599 -0.092 -10.651 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.157 3.019 -8.187 1.00 0.00 H new ATOM 0 HH TYR A 26 1.822 2.814 -9.252 1.00 0.00 H new ATOM 451 N LYS A 27 6.674 -4.173 -8.147 1.00 0.00 N ATOM 452 CA LYS A 27 6.736 -5.402 -8.934 1.00 0.00 C ATOM 453 C LYS A 27 6.460 -6.627 -8.064 1.00 0.00 C ATOM 454 O LYS A 27 7.080 -6.804 -7.013 1.00 0.00 O ATOM 455 CB LYS A 27 8.107 -5.542 -9.601 1.00 0.00 C ATOM 456 CG LYS A 27 8.154 -4.997 -11.019 1.00 0.00 C ATOM 457 CD LYS A 27 9.497 -5.277 -11.675 1.00 0.00 C ATOM 458 CE LYS A 27 9.723 -4.394 -12.893 1.00 0.00 C ATOM 459 NZ LYS A 27 10.540 -3.190 -12.569 1.00 0.00 N ATOM 0 H LYS A 27 7.582 -3.825 -7.839 1.00 0.00 H new ATOM 0 HA LYS A 27 5.967 -5.343 -9.704 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.850 -5.022 -8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.388 -6.595 -9.616 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.357 -5.448 -11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.971 -3.923 -11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.296 -5.112 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.546 -6.325 -11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.222 -4.971 -13.671 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.760 -4.080 -13.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.669 -2.617 -13.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.053 -2.624 -11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.469 -3.488 -12.208 1.00 0.00 H new ATOM 473 N PRO A 28 5.525 -7.494 -8.498 1.00 0.00 N ATOM 474 CA PRO A 28 5.170 -8.711 -7.760 1.00 0.00 C ATOM 475 C PRO A 28 6.217 -9.811 -7.904 1.00 0.00 C ATOM 476 O PRO A 28 7.295 -9.593 -8.463 1.00 0.00 O ATOM 477 CB PRO A 28 3.862 -9.148 -8.415 1.00 0.00 C ATOM 478 CG PRO A 28 3.943 -8.631 -9.809 1.00 0.00 C ATOM 479 CD PRO A 28 4.743 -7.357 -9.744 1.00 0.00 C ATOM 0 HA PRO A 28 5.095 -8.526 -6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.756 -10.233 -8.401 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.000 -8.736 -7.890 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.422 -9.357 -10.465 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.948 -8.445 -10.213 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.392 -7.247 -10.613 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.097 -6.480 -9.716 1.00 0.00 H new ATOM 487 N VAL A 29 5.882 -10.999 -7.407 1.00 0.00 N ATOM 488 CA VAL A 29 6.775 -12.145 -7.488 1.00 0.00 C ATOM 489 C VAL A 29 6.111 -13.276 -8.266 1.00 0.00 C ATOM 490 O VAL A 29 5.434 -14.129 -7.687 1.00 0.00 O ATOM 491 CB VAL A 29 7.184 -12.653 -6.089 1.00 0.00 C ATOM 492 CG1 VAL A 29 8.271 -13.714 -6.203 1.00 0.00 C ATOM 493 CG2 VAL A 29 7.645 -11.495 -5.212 1.00 0.00 C ATOM 0 H VAL A 29 4.994 -11.191 -6.943 1.00 0.00 H new ATOM 0 HA VAL A 29 7.676 -11.819 -8.007 1.00 0.00 H new ATOM 0 HB VAL A 29 6.313 -13.108 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.547 -14.061 -5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.899 -14.554 -6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.146 -13.287 -6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.929 -11.873 -4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.503 -11.007 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.833 -10.776 -5.103 1.00 0.00 H new ATOM 503 N ASP A 30 6.303 -13.271 -9.585 1.00 0.00 N ATOM 504 CA ASP A 30 5.722 -14.294 -10.446 1.00 0.00 C ATOM 505 C ASP A 30 6.392 -15.638 -10.196 1.00 0.00 C ATOM 506 O ASP A 30 7.330 -16.020 -10.894 1.00 0.00 O ATOM 507 CB ASP A 30 5.850 -13.895 -11.919 1.00 0.00 C ATOM 508 CG ASP A 30 5.161 -14.865 -12.869 1.00 0.00 C ATOM 509 OD1 ASP A 30 4.521 -15.829 -12.393 1.00 0.00 O ATOM 510 OD2 ASP A 30 5.265 -14.662 -14.095 1.00 0.00 O ATOM 0 H ASP A 30 6.856 -12.570 -10.078 1.00 0.00 H new ATOM 0 HA ASP A 30 4.662 -14.385 -10.208 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.426 -12.900 -12.057 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.906 -13.831 -12.180 1.00 0.00 H new ATOM 515 N ALA A 31 5.897 -16.339 -9.185 1.00 0.00 N ATOM 516 CA ALA A 31 6.432 -17.646 -8.808 1.00 0.00 C ATOM 517 C ALA A 31 6.394 -18.639 -9.971 1.00 0.00 C ATOM 518 O ALA A 31 7.215 -19.555 -10.033 1.00 0.00 O ATOM 519 CB ALA A 31 5.662 -18.207 -7.623 1.00 0.00 C ATOM 0 H ALA A 31 5.119 -16.023 -8.605 1.00 0.00 H new ATOM 0 HA ALA A 31 7.476 -17.502 -8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.070 -19.181 -7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.752 -17.527 -6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.611 -18.316 -7.891 1.00 0.00 H new ATOM 525 N SER A 32 5.435 -18.458 -10.883 1.00 0.00 N ATOM 526 CA SER A 32 5.291 -19.348 -12.036 1.00 0.00 C ATOM 527 C SER A 32 6.438 -19.178 -13.034 1.00 0.00 C ATOM 528 O SER A 32 6.807 -20.129 -13.725 1.00 0.00 O ATOM 529 CB SER A 32 3.952 -19.102 -12.738 1.00 0.00 C ATOM 530 OG SER A 32 2.940 -19.942 -12.209 1.00 0.00 O ATOM 0 H SER A 32 4.749 -17.705 -10.845 1.00 0.00 H new ATOM 0 HA SER A 32 5.321 -20.371 -11.661 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.662 -18.058 -12.620 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.059 -19.284 -13.807 1.00 0.00 H new ATOM 0 HG SER A 32 2.094 -19.766 -12.671 1.00 0.00 H new ATOM 536 N ALA A 33 6.992 -17.967 -13.113 1.00 0.00 N ATOM 537 CA ALA A 33 8.090 -17.683 -14.035 1.00 0.00 C ATOM 538 C ALA A 33 9.425 -17.543 -13.297 1.00 0.00 C ATOM 539 O ALA A 33 10.405 -18.202 -13.648 1.00 0.00 O ATOM 540 CB ALA A 33 7.787 -16.424 -14.834 1.00 0.00 C ATOM 0 H ALA A 33 6.698 -17.169 -12.550 1.00 0.00 H new ATOM 0 HA ALA A 33 8.182 -18.527 -14.719 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.611 -16.220 -15.518 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.869 -16.567 -15.404 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.664 -15.582 -14.153 1.00 0.00 H new ATOM 546 N LEU A 34 9.456 -16.681 -12.277 1.00 0.00 N ATOM 547 CA LEU A 34 10.670 -16.448 -11.486 1.00 0.00 C ATOM 548 C LEU A 34 11.214 -17.754 -10.903 1.00 0.00 C ATOM 549 O LEU A 34 12.374 -18.107 -11.126 1.00 0.00 O ATOM 550 CB LEU A 34 10.381 -15.451 -10.354 1.00 0.00 C ATOM 551 CG LEU A 34 11.490 -14.433 -10.060 1.00 0.00 C ATOM 552 CD1 LEU A 34 12.818 -15.132 -9.806 1.00 0.00 C ATOM 553 CD2 LEU A 34 11.616 -13.434 -11.202 1.00 0.00 C ATOM 0 H LEU A 34 8.651 -16.130 -11.978 1.00 0.00 H new ATOM 0 HA LEU A 34 11.427 -16.031 -12.150 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.470 -14.906 -10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.180 -16.014 -9.442 1.00 0.00 H new ATOM 0 HG LEU A 34 11.219 -13.888 -9.156 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.587 -14.388 -9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.720 -15.799 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.099 -15.710 -10.686 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.408 -12.720 -10.975 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.858 -13.963 -12.124 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.673 -12.902 -11.326 1.00 0.00 H new ATOM 565 N GLY A 35 10.368 -18.465 -10.156 1.00 0.00 N ATOM 566 CA GLY A 35 10.774 -19.723 -9.547 1.00 0.00 C ATOM 567 C GLY A 35 10.599 -19.725 -8.038 1.00 0.00 C ATOM 568 O GLY A 35 11.506 -20.122 -7.304 1.00 0.00 O ATOM 0 H GLY A 35 9.405 -18.190 -9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.190 -20.536 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.819 -19.919 -9.788 1.00 0.00 H new ATOM 572 N LEU A 36 9.427 -19.288 -7.576 1.00 0.00 N ATOM 573 CA LEU A 36 9.130 -19.248 -6.146 1.00 0.00 C ATOM 574 C LEU A 36 8.037 -20.258 -5.802 1.00 0.00 C ATOM 575 O LEU A 36 6.870 -19.900 -5.635 1.00 0.00 O ATOM 576 CB LEU A 36 8.709 -17.835 -5.725 1.00 0.00 C ATOM 577 CG LEU A 36 9.731 -17.074 -4.874 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.003 -17.811 -3.570 1.00 0.00 C ATOM 579 CD2 LEU A 36 11.023 -16.863 -5.652 1.00 0.00 C ATOM 0 H LEU A 36 8.669 -18.957 -8.172 1.00 0.00 H new ATOM 0 HA LEU A 36 10.033 -19.515 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.503 -17.252 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.775 -17.903 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 36 9.313 -16.097 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.731 -17.253 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.076 -17.905 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.397 -18.804 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.737 -16.321 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.443 -17.830 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.815 -16.287 -6.554 1.00 0.00 H new ATOM 591 N HIS A 37 8.428 -21.525 -5.705 1.00 0.00 N ATOM 592 CA HIS A 37 7.489 -22.601 -5.390 1.00 0.00 C ATOM 593 C HIS A 37 6.985 -22.502 -3.949 1.00 0.00 C ATOM 594 O HIS A 37 5.877 -22.944 -3.645 1.00 0.00 O ATOM 595 CB HIS A 37 8.145 -23.965 -5.624 1.00 0.00 C ATOM 596 CG HIS A 37 8.634 -24.161 -7.028 1.00 0.00 C ATOM 597 ND1 HIS A 37 8.070 -25.064 -7.903 1.00 0.00 N ATOM 598 CD2 HIS A 37 9.641 -23.560 -7.708 1.00 0.00 C ATOM 599 CE1 HIS A 37 8.708 -25.011 -9.059 1.00 0.00 C ATOM 600 NE2 HIS A 37 9.665 -24.105 -8.967 1.00 0.00 N ATOM 0 H HIS A 37 9.391 -21.834 -5.840 1.00 0.00 H new ATOM 0 HA HIS A 37 6.631 -22.497 -6.054 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.983 -24.079 -4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.428 -24.750 -5.385 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.302 -22.794 -7.329 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.485 -25.607 -9.931 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.316 -23.852 -9.711 1.00 0.00 H new ATOM 609 N ASP A 38 7.799 -21.917 -3.065 1.00 0.00 N ATOM 610 CA ASP A 38 7.422 -21.764 -1.660 1.00 0.00 C ATOM 611 C ASP A 38 6.700 -20.432 -1.397 1.00 0.00 C ATOM 612 O ASP A 38 6.527 -20.036 -0.244 1.00 0.00 O ATOM 613 CB ASP A 38 8.665 -21.871 -0.767 1.00 0.00 C ATOM 614 CG ASP A 38 8.375 -22.538 0.566 1.00 0.00 C ATOM 615 OD1 ASP A 38 7.597 -23.516 0.589 1.00 0.00 O ATOM 616 OD2 ASP A 38 8.930 -22.083 1.588 1.00 0.00 O ATOM 0 H ASP A 38 8.719 -21.544 -3.298 1.00 0.00 H new ATOM 0 HA ASP A 38 6.727 -22.568 -1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.436 -22.436 -1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.066 -20.873 -0.589 1.00 0.00 H new ATOM 621 N TYR A 39 6.277 -19.746 -2.464 1.00 0.00 N ATOM 622 CA TYR A 39 5.575 -18.469 -2.327 1.00 0.00 C ATOM 623 C TYR A 39 4.060 -18.667 -2.362 1.00 0.00 C ATOM 624 O TYR A 39 3.327 -18.038 -1.597 1.00 0.00 O ATOM 625 CB TYR A 39 6.006 -17.511 -3.442 1.00 0.00 C ATOM 626 CG TYR A 39 5.379 -16.135 -3.354 1.00 0.00 C ATOM 627 CD1 TYR A 39 4.151 -15.870 -3.949 1.00 0.00 C ATOM 628 CD2 TYR A 39 6.019 -15.101 -2.683 1.00 0.00 C ATOM 629 CE1 TYR A 39 3.581 -14.615 -3.877 1.00 0.00 C ATOM 630 CE2 TYR A 39 5.455 -13.842 -2.608 1.00 0.00 C ATOM 631 CZ TYR A 39 4.236 -13.604 -3.207 1.00 0.00 C ATOM 632 OH TYR A 39 3.671 -12.351 -3.138 1.00 0.00 O ATOM 0 H TYR A 39 6.409 -20.053 -3.428 1.00 0.00 H new ATOM 0 HA TYR A 39 5.839 -18.038 -1.361 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.091 -17.406 -3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.751 -17.954 -4.405 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.635 -16.659 -4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.973 -15.284 -2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.626 -14.426 -4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.966 -13.049 -2.083 1.00 0.00 H new ATOM 0 HH TYR A 39 4.259 -11.754 -2.630 1.00 0.00 H new ATOM 642 N HIS A 40 3.598 -19.545 -3.252 1.00 0.00 N ATOM 643 CA HIS A 40 2.169 -19.827 -3.385 1.00 0.00 C ATOM 644 C HIS A 40 1.676 -20.797 -2.301 1.00 0.00 C ATOM 645 O HIS A 40 0.476 -21.064 -2.205 1.00 0.00 O ATOM 646 CB HIS A 40 1.873 -20.398 -4.774 1.00 0.00 C ATOM 647 CG HIS A 40 0.463 -20.172 -5.227 1.00 0.00 C ATOM 648 ND1 HIS A 40 -0.491 -21.167 -5.243 1.00 0.00 N ATOM 649 CD2 HIS A 40 -0.152 -19.057 -5.689 1.00 0.00 C ATOM 650 CE1 HIS A 40 -1.631 -20.675 -5.696 1.00 0.00 C ATOM 651 NE2 HIS A 40 -1.452 -19.396 -5.972 1.00 0.00 N ATOM 0 H HIS A 40 4.192 -20.073 -3.891 1.00 0.00 H new ATOM 0 HA HIS A 40 1.633 -18.887 -3.257 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.554 -19.947 -5.496 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.077 -21.469 -4.769 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.297 -18.082 -5.812 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.552 -21.225 -5.819 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.164 -18.763 -6.336 1.00 0.00 H new ATOM 660 N ASP A 41 2.599 -21.321 -1.487 1.00 0.00 N ATOM 661 CA ASP A 41 2.238 -22.253 -0.421 1.00 0.00 C ATOM 662 C ASP A 41 1.720 -21.508 0.807 1.00 0.00 C ATOM 663 O ASP A 41 0.610 -21.767 1.275 1.00 0.00 O ATOM 664 CB ASP A 41 3.443 -23.121 -0.038 1.00 0.00 C ATOM 665 CG ASP A 41 3.602 -24.327 -0.946 1.00 0.00 C ATOM 666 OD1 ASP A 41 3.646 -24.140 -2.181 1.00 0.00 O ATOM 667 OD2 ASP A 41 3.679 -25.458 -0.423 1.00 0.00 O ATOM 0 H ASP A 41 3.596 -21.115 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 41 1.441 -22.896 -0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.350 -22.517 -0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.331 -23.458 0.992 1.00 0.00 H new ATOM 672 N ILE A 42 2.530 -20.583 1.323 1.00 0.00 N ATOM 673 CA ILE A 42 2.151 -19.801 2.499 1.00 0.00 C ATOM 674 C ILE A 42 1.277 -18.609 2.113 1.00 0.00 C ATOM 675 O ILE A 42 0.193 -18.420 2.669 1.00 0.00 O ATOM 676 CB ILE A 42 3.389 -19.286 3.269 1.00 0.00 C ATOM 677 CG1 ILE A 42 4.372 -20.430 3.539 1.00 0.00 C ATOM 678 CG2 ILE A 42 2.965 -18.629 4.577 1.00 0.00 C ATOM 679 CD1 ILE A 42 5.819 -20.046 3.323 1.00 0.00 C ATOM 0 H ILE A 42 3.451 -20.358 0.946 1.00 0.00 H new ATOM 0 HA ILE A 42 1.586 -20.471 3.147 1.00 0.00 H new ATOM 0 HB ILE A 42 3.892 -18.541 2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.245 -20.773 4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.127 -21.270 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.848 -18.272 5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.304 -17.789 4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.439 -19.356 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.458 -20.904 3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.961 -19.731 2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.082 -19.226 3.992 1.00 0.00 H new ATOM 691 N ILE A 43 1.753 -17.807 1.161 1.00 0.00 N ATOM 692 CA ILE A 43 1.011 -16.634 0.709 1.00 0.00 C ATOM 693 C ILE A 43 -0.171 -17.037 -0.173 1.00 0.00 C ATOM 694 O ILE A 43 -1.327 -16.883 0.224 1.00 0.00 O ATOM 695 CB ILE A 43 1.920 -15.642 -0.059 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.201 -15.355 0.735 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.173 -14.346 -0.353 1.00 0.00 C ATOM 698 CD1 ILE A 43 2.951 -14.815 2.130 1.00 0.00 C ATOM 0 H ILE A 43 2.647 -17.949 0.690 1.00 0.00 H new ATOM 0 HA ILE A 43 0.634 -16.135 1.602 1.00 0.00 H new ATOM 0 HB ILE A 43 2.199 -16.101 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.783 -16.273 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.807 -14.638 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.829 -13.663 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.294 -14.562 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.861 -13.885 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.904 -14.637 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.396 -13.879 2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.372 -15.540 2.703 1.00 0.00 H new ATOM 710 N LYS A 44 0.128 -17.548 -1.374 1.00 0.00 N ATOM 711 CA LYS A 44 -0.898 -17.979 -2.332 1.00 0.00 C ATOM 712 C LYS A 44 -1.555 -16.796 -3.061 1.00 0.00 C ATOM 713 O LYS A 44 -2.080 -16.966 -4.164 1.00 0.00 O ATOM 714 CB LYS A 44 -1.966 -18.825 -1.637 1.00 0.00 C ATOM 715 CG LYS A 44 -2.665 -19.804 -2.569 1.00 0.00 C ATOM 716 CD LYS A 44 -3.920 -20.384 -1.935 1.00 0.00 C ATOM 717 CE LYS A 44 -3.642 -21.720 -1.261 1.00 0.00 C ATOM 718 NZ LYS A 44 -3.133 -21.556 0.131 1.00 0.00 N ATOM 0 H LYS A 44 1.084 -17.674 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.391 -18.585 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.504 -19.380 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.710 -18.164 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.927 -19.298 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.981 -20.612 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.316 -19.681 -1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.687 -20.514 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.556 -22.313 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.912 -22.276 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.198 -22.464 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.141 -21.246 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.705 -20.843 0.628 1.00 0.00 H new ATOM 732 N HIS A 45 -1.528 -15.608 -2.451 1.00 0.00 N ATOM 733 CA HIS A 45 -2.121 -14.415 -3.053 1.00 0.00 C ATOM 734 C HIS A 45 -1.050 -13.359 -3.328 1.00 0.00 C ATOM 735 O HIS A 45 -0.839 -12.457 -2.514 1.00 0.00 O ATOM 736 CB HIS A 45 -3.198 -13.841 -2.126 1.00 0.00 C ATOM 737 CG HIS A 45 -4.167 -12.918 -2.806 1.00 0.00 C ATOM 738 ND1 HIS A 45 -3.776 -11.869 -3.615 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.522 -12.886 -2.785 1.00 0.00 C ATOM 740 CE1 HIS A 45 -4.847 -11.234 -4.059 1.00 0.00 C ATOM 741 NE2 HIS A 45 -5.917 -11.831 -3.570 1.00 0.00 N ATOM 0 H HIS A 45 -1.100 -15.449 -1.539 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.578 -14.697 -4.001 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.752 -14.665 -1.678 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.712 -13.304 -1.312 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.170 -13.564 -2.250 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.846 -10.373 -4.711 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.882 -11.553 -3.747 1.00 0.00 H new ATOM 750 N PRO A 46 -0.356 -13.456 -4.481 1.00 0.00 N ATOM 751 CA PRO A 46 0.697 -12.503 -4.859 1.00 0.00 C ATOM 752 C PRO A 46 0.170 -11.069 -4.939 1.00 0.00 C ATOM 753 O PRO A 46 -0.288 -10.619 -5.991 1.00 0.00 O ATOM 754 CB PRO A 46 1.157 -12.996 -6.239 1.00 0.00 C ATOM 755 CG PRO A 46 0.726 -14.421 -6.303 1.00 0.00 C ATOM 756 CD PRO A 46 -0.540 -14.503 -5.503 1.00 0.00 C ATOM 0 HA PRO A 46 1.502 -12.469 -4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.704 -12.410 -7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.237 -12.905 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.558 -14.732 -7.334 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.491 -15.080 -5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.419 -14.315 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.670 -15.487 -5.053 1.00 0.00 H new ATOM 764 N MET A 47 0.229 -10.363 -3.809 1.00 0.00 N ATOM 765 CA MET A 47 -0.248 -8.986 -3.736 1.00 0.00 C ATOM 766 C MET A 47 0.908 -7.998 -3.893 1.00 0.00 C ATOM 767 O MET A 47 1.955 -8.148 -3.259 1.00 0.00 O ATOM 768 CB MET A 47 -0.980 -8.748 -2.410 1.00 0.00 C ATOM 769 CG MET A 47 -2.256 -7.935 -2.557 1.00 0.00 C ATOM 770 SD MET A 47 -1.978 -6.164 -2.361 1.00 0.00 S ATOM 771 CE MET A 47 -3.442 -5.502 -3.153 1.00 0.00 C ATOM 0 H MET A 47 0.603 -10.725 -2.932 1.00 0.00 H new ATOM 0 HA MET A 47 -0.946 -8.822 -4.557 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.222 -9.711 -1.960 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.309 -8.234 -1.721 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.692 -8.124 -3.538 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.982 -8.269 -1.816 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.760 -4.598 -2.633 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.217 -5.263 -4.192 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.242 -6.242 -3.116 1.00 0.00 H new ATOM 781 N ASP A 48 0.710 -6.995 -4.750 1.00 0.00 N ATOM 782 CA ASP A 48 1.732 -5.981 -5.011 1.00 0.00 C ATOM 783 C ASP A 48 1.101 -4.608 -5.244 1.00 0.00 C ATOM 784 O ASP A 48 -0.112 -4.495 -5.433 1.00 0.00 O ATOM 785 CB ASP A 48 2.574 -6.379 -6.231 1.00 0.00 C ATOM 786 CG ASP A 48 1.722 -6.707 -7.444 1.00 0.00 C ATOM 787 OD1 ASP A 48 1.110 -7.796 -7.464 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.665 -5.875 -8.371 1.00 0.00 O ATOM 0 H ASP A 48 -0.153 -6.863 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 48 2.375 -5.919 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.255 -5.565 -6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.188 -7.243 -5.978 1.00 0.00 H new ATOM 793 N LEU A 49 1.935 -3.566 -5.232 1.00 0.00 N ATOM 794 CA LEU A 49 1.461 -2.197 -5.444 1.00 0.00 C ATOM 795 C LEU A 49 0.892 -2.012 -6.853 1.00 0.00 C ATOM 796 O LEU A 49 -0.054 -1.247 -7.045 1.00 0.00 O ATOM 797 CB LEU A 49 2.589 -1.191 -5.201 1.00 0.00 C ATOM 798 CG LEU A 49 2.460 -0.373 -3.913 1.00 0.00 C ATOM 799 CD1 LEU A 49 3.426 -0.887 -2.855 1.00 0.00 C ATOM 800 CD2 LEU A 49 2.701 1.105 -4.189 1.00 0.00 C ATOM 0 H LEU A 49 2.940 -3.644 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 49 0.660 -2.015 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.537 -1.729 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.632 -0.505 -6.047 1.00 0.00 H new ATOM 0 HG LEU A 49 1.444 -0.487 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.320 -0.294 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.203 -1.931 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.448 -0.805 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.605 1.669 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.704 1.241 -4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.967 1.465 -4.910 1.00 0.00 H new ATOM 812 N SER A 50 1.468 -2.714 -7.836 1.00 0.00 N ATOM 813 CA SER A 50 1.002 -2.614 -9.221 1.00 0.00 C ATOM 814 C SER A 50 -0.460 -3.045 -9.340 1.00 0.00 C ATOM 815 O SER A 50 -1.239 -2.424 -10.064 1.00 0.00 O ATOM 816 CB SER A 50 1.870 -3.463 -10.156 1.00 0.00 C ATOM 817 OG SER A 50 2.573 -2.651 -11.081 1.00 0.00 O ATOM 0 H SER A 50 2.252 -3.352 -7.698 1.00 0.00 H new ATOM 0 HA SER A 50 1.085 -1.569 -9.519 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.579 -4.047 -9.568 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.242 -4.173 -10.695 1.00 0.00 H new ATOM 0 HG SER A 50 2.851 -1.820 -10.642 1.00 0.00 H new ATOM 823 N THR A 51 -0.830 -4.107 -8.620 1.00 0.00 N ATOM 824 CA THR A 51 -2.203 -4.608 -8.647 1.00 0.00 C ATOM 825 C THR A 51 -3.173 -3.558 -8.108 1.00 0.00 C ATOM 826 O THR A 51 -4.282 -3.404 -8.623 1.00 0.00 O ATOM 827 CB THR A 51 -2.327 -5.899 -7.831 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.302 -6.816 -8.167 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.649 -6.607 -8.025 1.00 0.00 C ATOM 0 H THR A 51 -0.200 -4.633 -8.014 1.00 0.00 H new ATOM 0 HA THR A 51 -2.459 -4.823 -9.684 1.00 0.00 H new ATOM 0 HB THR A 51 -2.247 -5.582 -6.791 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.799 -7.054 -7.361 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.669 -7.512 -7.419 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.463 -5.948 -7.721 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.770 -6.871 -9.076 1.00 0.00 H new ATOM 837 N VAL A 52 -2.744 -2.832 -7.075 1.00 0.00 N ATOM 838 CA VAL A 52 -3.569 -1.788 -6.473 1.00 0.00 C ATOM 839 C VAL A 52 -3.962 -0.746 -7.521 1.00 0.00 C ATOM 840 O VAL A 52 -5.102 -0.279 -7.545 1.00 0.00 O ATOM 841 CB VAL A 52 -2.835 -1.088 -5.307 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.743 -0.071 -4.630 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.319 -2.108 -4.296 1.00 0.00 C ATOM 0 H VAL A 52 -1.829 -2.949 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.465 -2.268 -6.080 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.977 -0.558 -5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.205 0.409 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.049 0.683 -5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.625 -0.576 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.806 -1.590 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.157 -2.675 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.624 -2.789 -4.788 1.00 0.00 H new ATOM 853 N LYS A 53 -3.015 -0.399 -8.395 1.00 0.00 N ATOM 854 CA LYS A 53 -3.266 0.575 -9.457 1.00 0.00 C ATOM 855 C LYS A 53 -4.388 0.095 -10.379 1.00 0.00 C ATOM 856 O LYS A 53 -5.272 0.869 -10.742 1.00 0.00 O ATOM 857 CB LYS A 53 -1.989 0.819 -10.270 1.00 0.00 C ATOM 858 CG LYS A 53 -2.145 1.871 -11.361 1.00 0.00 C ATOM 859 CD LYS A 53 -1.682 3.242 -10.891 1.00 0.00 C ATOM 860 CE LYS A 53 -1.875 4.296 -11.972 1.00 0.00 C ATOM 861 NZ LYS A 53 -1.863 5.678 -11.415 1.00 0.00 N ATOM 0 H LYS A 53 -2.068 -0.778 -8.388 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.575 1.511 -8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.192 1.127 -9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.675 -0.120 -10.726 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.570 1.574 -12.238 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.190 1.925 -11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.238 3.529 -9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.630 3.196 -10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.086 4.199 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.821 4.120 -12.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.998 6.364 -12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.632 5.780 -10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.951 5.856 -10.948 1.00 0.00 H new ATOM 875 N ARG A 54 -4.344 -1.189 -10.750 1.00 0.00 N ATOM 876 CA ARG A 54 -5.358 -1.778 -11.630 1.00 0.00 C ATOM 877 C ARG A 54 -6.758 -1.663 -11.024 1.00 0.00 C ATOM 878 O ARG A 54 -7.724 -1.374 -11.729 1.00 0.00 O ATOM 879 CB ARG A 54 -5.037 -3.249 -11.918 1.00 0.00 C ATOM 880 CG ARG A 54 -3.709 -3.462 -12.631 1.00 0.00 C ATOM 881 CD ARG A 54 -3.855 -3.339 -14.141 1.00 0.00 C ATOM 882 NE ARG A 54 -3.864 -4.645 -14.802 1.00 0.00 N ATOM 883 CZ ARG A 54 -2.794 -5.439 -14.905 1.00 0.00 C ATOM 884 NH1 ARG A 54 -1.623 -5.066 -14.392 1.00 0.00 N ATOM 885 NH2 ARG A 54 -2.894 -6.612 -15.521 1.00 0.00 N ATOM 0 H ARG A 54 -3.617 -1.840 -10.454 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.342 -1.219 -12.566 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.025 -3.799 -10.977 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.837 -3.673 -12.525 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.983 -2.731 -12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.316 -4.448 -12.382 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.779 -2.809 -14.373 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.035 -2.739 -14.536 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.741 -4.969 -15.209 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.538 -4.168 -13.916 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.812 -5.678 -14.475 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.787 -6.906 -15.915 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.077 -7.218 -15.600 1.00 0.00 H new ATOM 899 N LYS A 55 -6.863 -1.887 -9.714 1.00 0.00 N ATOM 900 CA LYS A 55 -8.150 -1.800 -9.028 1.00 0.00 C ATOM 901 C LYS A 55 -8.599 -0.346 -8.899 1.00 0.00 C ATOM 902 O LYS A 55 -9.758 -0.023 -9.152 1.00 0.00 O ATOM 903 CB LYS A 55 -8.067 -2.447 -7.643 1.00 0.00 C ATOM 904 CG LYS A 55 -8.133 -3.966 -7.669 1.00 0.00 C ATOM 905 CD LYS A 55 -6.768 -4.588 -7.421 1.00 0.00 C ATOM 906 CE LYS A 55 -6.883 -5.901 -6.659 1.00 0.00 C ATOM 907 NZ LYS A 55 -6.680 -5.719 -5.192 1.00 0.00 N ATOM 0 H LYS A 55 -6.077 -2.129 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.886 -2.339 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.136 -2.141 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.882 -2.068 -7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.835 -4.314 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.515 -4.298 -8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.268 -4.762 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.147 -3.892 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.866 -6.338 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.146 -6.607 -7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.767 -6.638 -4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.733 -5.326 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.399 -5.066 -4.821 1.00 0.00 H new ATOM 921 N MET A 56 -7.675 0.527 -8.500 1.00 0.00 N ATOM 922 CA MET A 56 -7.979 1.950 -8.332 1.00 0.00 C ATOM 923 C MET A 56 -8.334 2.616 -9.664 1.00 0.00 C ATOM 924 O MET A 56 -9.195 3.494 -9.712 1.00 0.00 O ATOM 925 CB MET A 56 -6.795 2.674 -7.687 1.00 0.00 C ATOM 926 CG MET A 56 -6.571 2.299 -6.231 1.00 0.00 C ATOM 927 SD MET A 56 -6.052 3.702 -5.224 1.00 0.00 S ATOM 928 CE MET A 56 -7.623 4.514 -4.939 1.00 0.00 C ATOM 0 H MET A 56 -6.710 0.275 -8.287 1.00 0.00 H new ATOM 0 HA MET A 56 -8.848 2.024 -7.679 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.891 2.451 -8.254 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.957 3.750 -7.755 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.492 1.883 -5.821 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.815 1.516 -6.174 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.467 5.403 -4.328 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.062 4.802 -5.894 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.297 3.831 -4.421 1.00 0.00 H new ATOM 938 N GLU A 57 -7.670 2.193 -10.740 1.00 0.00 N ATOM 939 CA GLU A 57 -7.924 2.751 -12.070 1.00 0.00 C ATOM 940 C GLU A 57 -9.275 2.287 -12.614 1.00 0.00 C ATOM 941 O GLU A 57 -9.910 2.986 -13.405 1.00 0.00 O ATOM 942 CB GLU A 57 -6.805 2.365 -13.044 1.00 0.00 C ATOM 943 CG GLU A 57 -6.793 0.890 -13.421 1.00 0.00 C ATOM 944 CD GLU A 57 -5.760 0.566 -14.482 1.00 0.00 C ATOM 945 OE1 GLU A 57 -4.568 0.436 -14.129 1.00 0.00 O ATOM 946 OE2 GLU A 57 -6.141 0.442 -15.665 1.00 0.00 O ATOM 0 H GLU A 57 -6.954 1.467 -10.718 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.947 3.836 -11.974 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.906 2.960 -13.951 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.844 2.623 -12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.593 0.293 -12.531 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.781 0.603 -13.782 1.00 0.00 H new ATOM 953 N ASN A 58 -9.710 1.105 -12.179 1.00 0.00 N ATOM 954 CA ASN A 58 -10.982 0.544 -12.609 1.00 0.00 C ATOM 955 C ASN A 58 -12.069 0.796 -11.564 1.00 0.00 C ATOM 956 O ASN A 58 -13.221 0.401 -11.754 1.00 0.00 O ATOM 957 CB ASN A 58 -10.832 -0.960 -12.859 1.00 0.00 C ATOM 958 CG ASN A 58 -10.807 -1.299 -14.337 1.00 0.00 C ATOM 959 OD1 ASN A 58 -11.852 -1.478 -14.961 1.00 0.00 O ATOM 960 ND2 ASN A 58 -9.609 -1.384 -14.906 1.00 0.00 N ATOM 0 H ASN A 58 -9.193 0.517 -11.525 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.279 1.034 -13.536 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.913 -1.314 -12.392 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.656 -1.489 -12.381 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.530 -1.605 -15.899 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.768 -1.228 -14.350 1.00 0.00 H new ATOM 967 N ARG A 59 -11.697 1.452 -10.455 1.00 0.00 N ATOM 968 CA ARG A 59 -12.636 1.747 -9.386 1.00 0.00 C ATOM 969 C ARG A 59 -13.180 0.454 -8.781 1.00 0.00 C ATOM 970 O ARG A 59 -14.377 0.324 -8.521 1.00 0.00 O ATOM 971 CB ARG A 59 -13.770 2.620 -9.917 1.00 0.00 C ATOM 972 CG ARG A 59 -14.535 3.351 -8.828 1.00 0.00 C ATOM 973 CD ARG A 59 -15.318 4.528 -9.385 1.00 0.00 C ATOM 974 NE ARG A 59 -16.237 4.127 -10.451 1.00 0.00 N ATOM 975 CZ ARG A 59 -17.054 4.968 -11.089 1.00 0.00 C ATOM 976 NH1 ARG A 59 -17.070 6.261 -10.776 1.00 0.00 N ATOM 977 NH2 ARG A 59 -17.856 4.516 -12.048 1.00 0.00 N ATOM 0 H ARG A 59 -10.748 1.785 -10.284 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.117 2.294 -8.599 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.359 3.351 -10.614 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.464 1.997 -10.481 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.219 2.659 -8.336 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.838 3.704 -8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.882 5.000 -8.580 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.623 5.275 -9.769 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.254 3.144 -10.723 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.455 6.616 -10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.697 6.897 -11.268 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.847 3.527 -12.296 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.480 5.158 -12.536 1.00 0.00 H new ATOM 991 N ASP A 60 -12.277 -0.501 -8.561 1.00 0.00 N ATOM 992 CA ASP A 60 -12.639 -1.791 -7.984 1.00 0.00 C ATOM 993 C ASP A 60 -12.848 -1.676 -6.474 1.00 0.00 C ATOM 994 O ASP A 60 -13.678 -2.381 -5.899 1.00 0.00 O ATOM 995 CB ASP A 60 -11.547 -2.823 -8.281 1.00 0.00 C ATOM 996 CG ASP A 60 -11.899 -4.210 -7.780 1.00 0.00 C ATOM 997 OD1 ASP A 60 -12.857 -4.808 -8.313 1.00 0.00 O ATOM 998 OD2 ASP A 60 -11.216 -4.698 -6.855 1.00 0.00 O ATOM 0 H ASP A 60 -11.285 -0.403 -8.776 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.576 -2.116 -8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.374 -2.863 -9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.614 -2.501 -7.820 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.089 -0.782 -5.840 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.189 -0.572 -4.398 1.00 0.00 C ATOM 1005 C TYR A 61 -13.550 0.014 -4.024 1.00 0.00 C ATOM 1006 O TYR A 61 -14.375 -0.660 -3.408 1.00 0.00 O ATOM 1007 CB TYR A 61 -11.072 0.358 -3.914 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.699 -0.278 -3.915 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.245 -0.994 -2.816 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.855 -0.157 -5.013 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -7.991 -1.572 -2.808 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.599 -0.732 -5.013 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.173 -1.438 -3.909 1.00 0.00 C ATOM 1014 OH TYR A 61 -5.924 -2.015 -3.905 1.00 0.00 O ATOM 0 H TYR A 61 -11.398 -0.192 -6.304 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.083 -1.541 -3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -11.051 1.245 -4.548 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.305 0.694 -2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.884 -1.101 -1.952 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.187 0.395 -5.880 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.653 -2.126 -1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.955 -0.629 -5.873 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.910 -2.768 -4.531 1.00 0.00 H new ATOM 1024 N ARG A 62 -13.771 1.278 -4.399 1.00 0.00 N ATOM 1025 CA ARG A 62 -15.027 1.975 -4.107 1.00 0.00 C ATOM 1026 C ARG A 62 -15.251 2.144 -2.597 1.00 0.00 C ATOM 1027 O ARG A 62 -16.346 2.515 -2.167 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.215 1.231 -4.733 1.00 0.00 C ATOM 1029 CG ARG A 62 -15.943 0.712 -6.137 1.00 0.00 C ATOM 1030 CD ARG A 62 -17.212 0.202 -6.806 1.00 0.00 C ATOM 1031 NE ARG A 62 -17.402 0.772 -8.142 1.00 0.00 N ATOM 1032 CZ ARG A 62 -18.576 0.811 -8.780 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -19.668 0.296 -8.220 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -18.657 1.361 -9.986 1.00 0.00 N ATOM 0 H ARG A 62 -13.091 1.842 -4.909 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.953 2.969 -4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.485 0.392 -4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.075 1.899 -4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.508 1.508 -6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.208 -0.091 -6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.170 -0.885 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.072 0.447 -6.183 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.588 1.164 -8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.613 -0.133 -7.296 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -20.559 0.330 -8.715 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.824 1.753 -10.425 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.552 1.391 -10.474 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.213 1.878 -1.797 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.303 2.006 -0.345 1.00 0.00 C ATOM 1050 C ASP A 63 -12.927 2.261 0.268 1.00 0.00 C ATOM 1051 O ASP A 63 -11.906 1.840 -0.280 1.00 0.00 O ATOM 1052 CB ASP A 63 -14.907 0.738 0.269 1.00 0.00 C ATOM 1053 CG ASP A 63 -16.417 0.688 0.138 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -17.102 1.446 0.859 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -16.915 -0.108 -0.684 1.00 0.00 O ATOM 0 H ASP A 63 -13.300 1.572 -2.135 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.949 2.856 -0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.475 -0.137 -0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.636 0.685 1.323 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.909 2.940 1.416 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.661 3.237 2.114 1.00 0.00 C ATOM 1062 C ALA A 64 -11.159 2.005 2.861 1.00 0.00 C ATOM 1063 O ALA A 64 -9.967 1.696 2.840 1.00 0.00 O ATOM 1064 CB ALA A 64 -11.852 4.404 3.075 1.00 0.00 C ATOM 0 H ALA A 64 -13.745 3.294 1.881 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.912 3.519 1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.912 4.612 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.165 5.287 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.616 4.149 3.809 1.00 0.00 H new ATOM 1070 N GLN A 65 -12.084 1.298 3.515 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.744 0.090 4.263 1.00 0.00 C ATOM 1072 C GLN A 65 -11.133 -0.967 3.343 1.00 0.00 C ATOM 1073 O GLN A 65 -10.180 -1.648 3.722 1.00 0.00 O ATOM 1074 CB GLN A 65 -12.987 -0.477 4.954 1.00 0.00 C ATOM 1075 CG GLN A 65 -12.694 -1.128 6.297 1.00 0.00 C ATOM 1076 CD GLN A 65 -12.930 -0.190 7.467 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -12.003 0.145 8.203 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -14.175 0.240 7.644 1.00 0.00 N ATOM 0 H GLN A 65 -13.074 1.543 3.540 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.007 0.358 5.020 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.710 0.326 5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.454 -1.212 4.298 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.322 -2.011 6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.659 -1.469 6.313 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.914 -0.063 7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.391 0.873 8.414 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.683 -1.094 2.131 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.184 -2.066 1.157 1.00 0.00 C ATOM 1089 C GLU A 66 -9.716 -1.805 0.826 1.00 0.00 C ATOM 1090 O GLU A 66 -8.919 -2.739 0.733 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.021 -2.017 -0.126 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.310 -2.818 -0.047 1.00 0.00 C ATOM 1093 CD GLU A 66 -13.074 -4.310 -0.182 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -12.895 -4.782 -1.324 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -13.064 -5.006 0.856 1.00 0.00 O ATOM 0 H GLU A 66 -12.472 -0.537 1.803 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.269 -3.058 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.263 -0.978 -0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.421 -2.392 -0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.802 -2.616 0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.988 -2.488 -0.834 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.362 -0.530 0.658 1.00 0.00 N ATOM 1103 CA PHE A 67 -7.985 -0.150 0.348 1.00 0.00 C ATOM 1104 C PHE A 67 -7.065 -0.436 1.534 1.00 0.00 C ATOM 1105 O PHE A 67 -5.983 -1.002 1.367 1.00 0.00 O ATOM 1106 CB PHE A 67 -7.913 1.333 -0.029 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.555 1.770 -0.507 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -5.592 2.198 0.393 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -6.244 1.751 -1.858 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -4.345 2.599 -0.044 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.998 2.152 -2.300 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.047 2.576 -1.393 1.00 0.00 C ATOM 0 H PHE A 67 -10.009 0.255 0.731 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.650 -0.746 -0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.646 1.536 -0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.194 1.933 0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.820 2.218 1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.983 1.419 -2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.603 2.930 0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.768 2.134 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.072 2.889 -1.737 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.507 -0.045 2.731 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.729 -0.262 3.950 1.00 0.00 C ATOM 1124 C ALA A 68 -6.496 -1.752 4.197 1.00 0.00 C ATOM 1125 O ALA A 68 -5.410 -2.156 4.615 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.428 0.368 5.147 1.00 0.00 C ATOM 0 H ALA A 68 -8.400 0.424 2.881 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.758 0.216 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.835 0.197 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.536 1.440 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.413 -0.081 5.271 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.523 -2.563 3.932 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.433 -4.010 4.121 1.00 0.00 C ATOM 1134 C ALA A 69 -6.398 -4.629 3.187 1.00 0.00 C ATOM 1135 O ALA A 69 -5.663 -5.536 3.580 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.791 -4.663 3.905 1.00 0.00 C ATOM 0 H ALA A 69 -8.427 -2.240 3.586 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.113 -4.190 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.704 -5.740 4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.508 -4.257 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.135 -4.460 2.891 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.342 -4.135 1.948 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.391 -4.646 0.962 1.00 0.00 C ATOM 1144 C ASP A 70 -3.955 -4.396 1.415 1.00 0.00 C ATOM 1145 O ASP A 70 -3.079 -5.241 1.217 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.632 -3.996 -0.406 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.613 -4.782 -1.257 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -6.211 -5.817 -1.827 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -7.783 -4.363 -1.355 1.00 0.00 O ATOM 0 H ASP A 70 -6.942 -3.385 1.606 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.544 -5.721 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.010 -2.984 -0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.684 -3.910 -0.936 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.720 -3.242 2.039 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.389 -2.900 2.533 1.00 0.00 C ATOM 1156 C VAL A 71 -1.964 -3.858 3.647 1.00 0.00 C ATOM 1157 O VAL A 71 -0.810 -4.288 3.700 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.326 -1.449 3.058 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -0.892 -1.063 3.388 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -2.926 -0.479 2.046 1.00 0.00 C ATOM 0 H VAL A 71 -4.431 -2.532 2.213 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.704 -2.991 1.690 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.917 -1.391 3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.867 -0.037 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.502 -1.733 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.278 -1.141 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.870 0.536 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.369 -0.538 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.968 -0.741 1.864 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.907 -4.196 4.532 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.632 -5.111 5.641 1.00 0.00 C ATOM 1172 C ARG A 72 -2.169 -6.479 5.131 1.00 0.00 C ATOM 1173 O ARG A 72 -1.320 -7.120 5.751 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.875 -5.276 6.525 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.873 -4.386 7.761 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.209 -5.174 9.021 1.00 0.00 C ATOM 1177 NE ARG A 72 -3.879 -4.432 10.241 1.00 0.00 N ATOM 1178 CZ ARG A 72 -4.627 -3.445 10.746 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -5.758 -3.078 10.147 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -4.242 -2.824 11.856 1.00 0.00 N ATOM 0 H ARG A 72 -3.866 -3.850 4.501 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.828 -4.677 6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.763 -5.056 5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.951 -6.317 6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.894 -3.920 7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.596 -3.581 7.631 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.271 -5.419 9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.665 -6.118 9.013 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.024 -4.685 10.737 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.061 -3.551 9.295 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.322 -2.324 10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.377 -3.100 12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.811 -2.071 12.243 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.731 -6.921 4.001 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.368 -8.214 3.417 1.00 0.00 C ATOM 1196 C LEU A 73 -0.923 -8.209 2.917 1.00 0.00 C ATOM 1197 O LEU A 73 -0.177 -9.156 3.156 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.316 -8.573 2.266 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.195 -10.012 1.746 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -3.688 -11.004 2.791 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -3.966 -10.179 0.442 1.00 0.00 C ATOM 0 H LEU A 73 -3.436 -6.404 3.475 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.459 -8.967 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.342 -8.408 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.133 -7.888 1.438 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.143 -10.217 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.594 -12.018 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.090 -10.905 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.733 -10.800 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.868 -11.206 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.019 -9.952 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.564 -9.498 -0.308 1.00 0.00 H new ATOM 1213 N MET A 74 -0.537 -7.138 2.222 1.00 0.00 N ATOM 1214 CA MET A 74 0.821 -7.016 1.689 1.00 0.00 C ATOM 1215 C MET A 74 1.856 -6.964 2.814 1.00 0.00 C ATOM 1216 O MET A 74 2.931 -7.557 2.704 1.00 0.00 O ATOM 1217 CB MET A 74 0.941 -5.765 0.814 1.00 0.00 C ATOM 1218 CG MET A 74 2.137 -5.791 -0.126 1.00 0.00 C ATOM 1219 SD MET A 74 1.793 -5.013 -1.716 1.00 0.00 S ATOM 1220 CE MET A 74 1.298 -3.374 -1.194 1.00 0.00 C ATOM 0 H MET A 74 -1.144 -6.344 2.015 1.00 0.00 H new ATOM 0 HA MET A 74 1.020 -7.899 1.081 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.030 -5.654 0.226 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.014 -4.888 1.457 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.977 -5.283 0.348 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.442 -6.825 -0.291 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.139 -2.746 -2.070 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.373 -3.439 -0.621 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.080 -2.938 -0.573 1.00 0.00 H new ATOM 1230 N PHE A 75 1.527 -6.251 3.890 1.00 0.00 N ATOM 1231 CA PHE A 75 2.430 -6.118 5.031 1.00 0.00 C ATOM 1232 C PHE A 75 2.457 -7.400 5.863 1.00 0.00 C ATOM 1233 O PHE A 75 3.526 -7.869 6.256 1.00 0.00 O ATOM 1234 CB PHE A 75 2.015 -4.932 5.907 1.00 0.00 C ATOM 1235 CG PHE A 75 2.389 -3.595 5.326 1.00 0.00 C ATOM 1236 CD1 PHE A 75 2.031 -3.261 4.028 1.00 0.00 C ATOM 1237 CD2 PHE A 75 3.098 -2.673 6.077 1.00 0.00 C ATOM 1238 CE1 PHE A 75 2.374 -2.036 3.493 1.00 0.00 C ATOM 1239 CE2 PHE A 75 3.444 -1.446 5.546 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.082 -1.126 4.253 1.00 0.00 C ATOM 0 H PHE A 75 0.641 -5.756 3.995 1.00 0.00 H new ATOM 0 HA PHE A 75 3.433 -5.939 4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.936 -4.964 6.060 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.479 -5.035 6.888 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.477 -3.968 3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.384 -2.916 7.090 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.089 -1.789 2.481 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.998 -0.737 6.143 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.352 -0.167 3.837 1.00 0.00 H new ATOM 1250 N SER A 76 1.276 -7.964 6.124 1.00 0.00 N ATOM 1251 CA SER A 76 1.168 -9.196 6.906 1.00 0.00 C ATOM 1252 C SER A 76 1.792 -10.374 6.159 1.00 0.00 C ATOM 1253 O SER A 76 2.396 -11.255 6.774 1.00 0.00 O ATOM 1254 CB SER A 76 -0.299 -9.501 7.236 1.00 0.00 C ATOM 1255 OG SER A 76 -0.443 -10.796 7.800 1.00 0.00 O ATOM 0 H SER A 76 0.383 -7.588 5.806 1.00 0.00 H new ATOM 0 HA SER A 76 1.714 -9.049 7.838 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.680 -8.754 7.933 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.900 -9.428 6.330 1.00 0.00 H new ATOM 0 HG SER A 76 -1.388 -10.962 8.001 1.00 0.00 H new ATOM 1261 N ASN A 77 1.642 -10.385 4.832 1.00 0.00 N ATOM 1262 CA ASN A 77 2.192 -11.457 4.005 1.00 0.00 C ATOM 1263 C ASN A 77 3.709 -11.531 4.144 1.00 0.00 C ATOM 1264 O ASN A 77 4.265 -12.610 4.342 1.00 0.00 O ATOM 1265 CB ASN A 77 1.818 -11.248 2.533 1.00 0.00 C ATOM 1266 CG ASN A 77 0.458 -11.826 2.185 1.00 0.00 C ATOM 1267 OD1 ASN A 77 -0.238 -12.368 3.044 1.00 0.00 O ATOM 1268 ND2 ASN A 77 0.070 -11.713 0.919 1.00 0.00 N ATOM 0 H ASN A 77 1.145 -9.664 4.310 1.00 0.00 H new ATOM 0 HA ASN A 77 1.763 -12.397 4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.823 -10.181 2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.577 -11.709 1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.835 -12.083 0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.677 -11.256 0.238 1.00 0.00 H new ATOM 1275 N CYS A 78 4.371 -10.378 4.043 1.00 0.00 N ATOM 1276 CA CYS A 78 5.827 -10.317 4.162 1.00 0.00 C ATOM 1277 C CYS A 78 6.282 -10.734 5.559 1.00 0.00 C ATOM 1278 O CYS A 78 7.257 -11.471 5.705 1.00 0.00 O ATOM 1279 CB CYS A 78 6.332 -8.905 3.848 1.00 0.00 C ATOM 1280 SG CYS A 78 7.755 -8.862 2.734 1.00 0.00 S ATOM 0 H CYS A 78 3.923 -9.476 3.880 1.00 0.00 H new ATOM 0 HA CYS A 78 6.250 -11.015 3.440 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.519 -8.330 3.404 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.600 -8.410 4.782 1.00 0.00 H new ATOM 0 HG CYS A 78 8.107 -7.628 2.527 1.00 0.00 H new ATOM 1286 N TYR A 79 5.567 -10.262 6.582 1.00 0.00 N ATOM 1287 CA TYR A 79 5.897 -10.589 7.968 1.00 0.00 C ATOM 1288 C TYR A 79 5.863 -12.100 8.199 1.00 0.00 C ATOM 1289 O TYR A 79 6.772 -12.661 8.811 1.00 0.00 O ATOM 1290 CB TYR A 79 4.926 -9.892 8.926 1.00 0.00 C ATOM 1291 CG TYR A 79 5.576 -8.826 9.780 1.00 0.00 C ATOM 1292 CD1 TYR A 79 6.258 -9.159 10.944 1.00 0.00 C ATOM 1293 CD2 TYR A 79 5.505 -7.485 9.423 1.00 0.00 C ATOM 1294 CE1 TYR A 79 6.849 -8.187 11.728 1.00 0.00 C ATOM 1295 CE2 TYR A 79 6.093 -6.507 10.202 1.00 0.00 C ATOM 1296 CZ TYR A 79 6.764 -6.864 11.353 1.00 0.00 C ATOM 1297 OH TYR A 79 7.349 -5.892 12.133 1.00 0.00 O ATOM 0 H TYR A 79 4.756 -9.652 6.476 1.00 0.00 H new ATOM 0 HA TYR A 79 6.909 -10.234 8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.120 -9.440 8.348 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.472 -10.639 9.576 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.327 -10.195 11.241 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.981 -7.202 8.522 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.375 -8.463 12.630 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.028 -5.469 9.911 1.00 0.00 H new ATOM 0 HH TYR A 79 7.198 -5.013 11.728 1.00 0.00 H new ATOM 1307 N LYS A 80 4.811 -12.751 7.702 1.00 0.00 N ATOM 1308 CA LYS A 80 4.661 -14.199 7.852 1.00 0.00 C ATOM 1309 C LYS A 80 5.628 -14.954 6.937 1.00 0.00 C ATOM 1310 O LYS A 80 6.060 -16.060 7.260 1.00 0.00 O ATOM 1311 CB LYS A 80 3.220 -14.625 7.549 1.00 0.00 C ATOM 1312 CG LYS A 80 2.176 -13.924 8.405 1.00 0.00 C ATOM 1313 CD LYS A 80 1.964 -14.643 9.729 1.00 0.00 C ATOM 1314 CE LYS A 80 1.576 -13.672 10.835 1.00 0.00 C ATOM 1315 NZ LYS A 80 2.705 -13.407 11.773 1.00 0.00 N ATOM 0 H LYS A 80 4.051 -12.300 7.193 1.00 0.00 H new ATOM 0 HA LYS A 80 4.898 -14.450 8.886 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.006 -14.427 6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.132 -15.702 7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.489 -12.897 8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.232 -13.875 7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.184 -15.396 9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.877 -15.169 10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.246 -12.732 10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.731 -14.077 11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.396 -12.741 12.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.004 -14.299 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.503 -12.996 11.248 1.00 0.00 H new ATOM 1329 N TYR A 81 5.956 -14.354 5.791 1.00 0.00 N ATOM 1330 CA TYR A 81 6.864 -14.973 4.828 1.00 0.00 C ATOM 1331 C TYR A 81 8.302 -14.997 5.351 1.00 0.00 C ATOM 1332 O TYR A 81 8.869 -16.068 5.568 1.00 0.00 O ATOM 1333 CB TYR A 81 6.802 -14.233 3.489 1.00 0.00 C ATOM 1334 CG TYR A 81 7.135 -15.099 2.292 1.00 0.00 C ATOM 1335 CD1 TYR A 81 6.506 -16.322 2.095 1.00 0.00 C ATOM 1336 CD2 TYR A 81 8.080 -14.690 1.358 1.00 0.00 C ATOM 1337 CE1 TYR A 81 6.808 -17.112 1.004 1.00 0.00 C ATOM 1338 CE2 TYR A 81 8.387 -15.475 0.263 1.00 0.00 C ATOM 1339 CZ TYR A 81 7.749 -16.685 0.091 1.00 0.00 C ATOM 1340 OH TYR A 81 8.054 -17.469 -0.998 1.00 0.00 O ATOM 0 H TYR A 81 5.605 -13.439 5.508 1.00 0.00 H new ATOM 0 HA TYR A 81 6.543 -16.004 4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.801 -13.821 3.359 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.493 -13.390 3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 81 5.768 -16.660 2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 81 8.582 -13.743 1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.310 -18.060 0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.123 -15.142 -0.454 1.00 0.00 H new ATOM 0 HH TYR A 81 8.939 -17.870 -0.874 1.00 0.00 H new ATOM 1350 N ASN A 82 8.887 -13.813 5.548 1.00 0.00 N ATOM 1351 CA ASN A 82 10.260 -13.706 6.041 1.00 0.00 C ATOM 1352 C ASN A 82 10.330 -12.817 7.282 1.00 0.00 C ATOM 1353 O ASN A 82 9.638 -11.800 7.366 1.00 0.00 O ATOM 1354 CB ASN A 82 11.178 -13.152 4.945 1.00 0.00 C ATOM 1355 CG ASN A 82 11.915 -14.249 4.197 1.00 0.00 C ATOM 1356 OD1 ASN A 82 11.299 -15.166 3.655 1.00 0.00 O ATOM 1357 ND2 ASN A 82 13.241 -14.160 4.162 1.00 0.00 N ATOM 0 H ASN A 82 8.431 -12.917 5.374 1.00 0.00 H new ATOM 0 HA ASN A 82 10.598 -14.705 6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.586 -12.570 4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.902 -12.471 5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.787 -14.869 3.672 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.712 -13.383 4.625 1.00 0.00 H new ATOM 1364 N PRO A 83 11.172 -13.190 8.267 1.00 0.00 N ATOM 1365 CA PRO A 83 11.331 -12.422 9.509 1.00 0.00 C ATOM 1366 C PRO A 83 12.090 -11.112 9.290 1.00 0.00 C ATOM 1367 O PRO A 83 12.827 -10.970 8.311 1.00 0.00 O ATOM 1368 CB PRO A 83 12.132 -13.367 10.407 1.00 0.00 C ATOM 1369 CG PRO A 83 12.907 -14.217 9.462 1.00 0.00 C ATOM 1370 CD PRO A 83 12.036 -14.389 8.247 1.00 0.00 C ATOM 0 HA PRO A 83 10.372 -12.123 9.932 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.792 -12.814 11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.475 -13.969 11.034 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.854 -13.745 9.199 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.145 -15.181 9.911 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.628 -14.441 7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.450 -15.307 8.300 1.00 0.00 H new ATOM 1378 N PRO A 84 11.918 -10.134 10.201 1.00 0.00 N ATOM 1379 CA PRO A 84 12.586 -8.835 10.102 1.00 0.00 C ATOM 1380 C PRO A 84 14.082 -8.931 10.381 1.00 0.00 C ATOM 1381 O PRO A 84 14.505 -9.116 11.525 1.00 0.00 O ATOM 1382 CB PRO A 84 11.903 -7.972 11.169 1.00 0.00 C ATOM 1383 CG PRO A 84 10.742 -8.773 11.668 1.00 0.00 C ATOM 1384 CD PRO A 84 11.064 -10.214 11.391 1.00 0.00 C ATOM 0 HA PRO A 84 12.502 -8.424 9.096 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.592 -7.737 11.980 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.570 -7.023 10.749 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.588 -8.609 12.734 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.822 -8.478 11.163 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.581 -10.681 12.229 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.165 -10.801 11.204 1.00 0.00 H new ATOM 1392 N ASP A 85 14.872 -8.803 9.323 1.00 0.00 N ATOM 1393 CA ASP A 85 16.331 -8.872 9.427 1.00 0.00 C ATOM 1394 C ASP A 85 17.007 -8.485 8.104 1.00 0.00 C ATOM 1395 O ASP A 85 18.071 -9.008 7.769 1.00 0.00 O ATOM 1396 CB ASP A 85 16.765 -10.284 9.840 1.00 0.00 C ATOM 1397 CG ASP A 85 17.917 -10.276 10.829 1.00 0.00 C ATOM 1398 OD1 ASP A 85 18.975 -9.696 10.506 1.00 0.00 O ATOM 1399 OD2 ASP A 85 17.761 -10.854 11.925 1.00 0.00 O ATOM 0 H ASP A 85 14.528 -8.650 8.375 1.00 0.00 H new ATOM 0 HA ASP A 85 16.645 -8.158 10.189 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.916 -10.806 10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.058 -10.844 8.952 1.00 0.00 H new ATOM 1404 N HIS A 86 16.385 -7.565 7.361 1.00 0.00 N ATOM 1405 CA HIS A 86 16.925 -7.109 6.078 1.00 0.00 C ATOM 1406 C HIS A 86 16.277 -5.792 5.654 1.00 0.00 C ATOM 1407 O HIS A 86 15.381 -5.282 6.330 1.00 0.00 O ATOM 1408 CB HIS A 86 16.687 -8.159 4.984 1.00 0.00 C ATOM 1409 CG HIS A 86 17.721 -9.242 4.921 1.00 0.00 C ATOM 1410 ND1 HIS A 86 19.061 -9.031 5.175 1.00 0.00 N ATOM 1411 CD2 HIS A 86 17.601 -10.556 4.616 1.00 0.00 C ATOM 1412 CE1 HIS A 86 19.719 -10.168 5.026 1.00 0.00 C ATOM 1413 NE2 HIS A 86 18.855 -11.107 4.690 1.00 0.00 N ATOM 0 H HIS A 86 15.506 -7.121 7.627 1.00 0.00 H new ATOM 0 HA HIS A 86 17.997 -6.958 6.207 1.00 0.00 H new ATOM 0 HB2 HIS A 86 15.711 -8.616 5.144 1.00 0.00 H new ATOM 0 HB3 HIS A 86 16.648 -7.655 4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 86 16.688 -11.074 4.362 1.00 0.00 H new ATOM 0 HE1 HIS A 86 20.782 -10.305 5.157 1.00 0.00 H new ATOM 0 HE2 HIS A 86 19.083 -12.085 4.514 1.00 0.00 H new ATOM 1422 N ASP A 87 16.724 -5.254 4.518 1.00 0.00 N ATOM 1423 CA ASP A 87 16.177 -4.005 3.992 1.00 0.00 C ATOM 1424 C ASP A 87 14.751 -4.205 3.473 1.00 0.00 C ATOM 1425 O ASP A 87 13.931 -3.288 3.531 1.00 0.00 O ATOM 1426 CB ASP A 87 17.068 -3.458 2.873 1.00 0.00 C ATOM 1427 CG ASP A 87 16.751 -2.014 2.518 1.00 0.00 C ATOM 1428 OD1 ASP A 87 16.279 -1.266 3.403 1.00 0.00 O ATOM 1429 OD2 ASP A 87 16.976 -1.630 1.352 1.00 0.00 O ATOM 0 H ASP A 87 17.462 -5.664 3.946 1.00 0.00 H new ATOM 0 HA ASP A 87 16.149 -3.283 4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.112 -3.531 3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.951 -4.079 1.985 1.00 0.00 H new ATOM 1434 N VAL A 88 14.464 -5.407 2.965 1.00 0.00 N ATOM 1435 CA VAL A 88 13.138 -5.725 2.436 1.00 0.00 C ATOM 1436 C VAL A 88 12.055 -5.505 3.494 1.00 0.00 C ATOM 1437 O VAL A 88 11.135 -4.711 3.293 1.00 0.00 O ATOM 1438 CB VAL A 88 13.061 -7.183 1.925 1.00 0.00 C ATOM 1439 CG1 VAL A 88 11.721 -7.444 1.248 1.00 0.00 C ATOM 1440 CG2 VAL A 88 14.214 -7.483 0.975 1.00 0.00 C ATOM 0 H VAL A 88 15.133 -6.175 2.910 1.00 0.00 H new ATOM 0 HA VAL A 88 12.965 -5.051 1.597 1.00 0.00 H new ATOM 0 HB VAL A 88 13.146 -7.851 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.686 -8.475 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.914 -7.277 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.603 -6.767 0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.141 -8.514 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.167 -6.808 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.161 -7.343 1.496 1.00 0.00 H new ATOM 1450 N VAL A 89 12.173 -6.211 4.619 1.00 0.00 N ATOM 1451 CA VAL A 89 11.205 -6.088 5.708 1.00 0.00 C ATOM 1452 C VAL A 89 11.264 -4.696 6.342 1.00 0.00 C ATOM 1453 O VAL A 89 10.231 -4.128 6.704 1.00 0.00 O ATOM 1454 CB VAL A 89 11.431 -7.156 6.800 1.00 0.00 C ATOM 1455 CG1 VAL A 89 10.318 -7.102 7.837 1.00 0.00 C ATOM 1456 CG2 VAL A 89 11.529 -8.550 6.187 1.00 0.00 C ATOM 0 H VAL A 89 12.928 -6.873 4.799 1.00 0.00 H new ATOM 0 HA VAL A 89 10.219 -6.243 5.270 1.00 0.00 H new ATOM 0 HB VAL A 89 12.377 -6.939 7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.493 -7.861 8.599 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.303 -6.117 8.303 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.360 -7.289 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.688 -9.284 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.604 -8.781 5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.365 -8.582 5.488 1.00 0.00 H new ATOM 1466 N ALA A 90 12.477 -4.151 6.469 1.00 0.00 N ATOM 1467 CA ALA A 90 12.667 -2.824 7.053 1.00 0.00 C ATOM 1468 C ALA A 90 11.881 -1.767 6.281 1.00 0.00 C ATOM 1469 O ALA A 90 11.271 -0.879 6.879 1.00 0.00 O ATOM 1470 CB ALA A 90 14.146 -2.461 7.087 1.00 0.00 C ATOM 0 H ALA A 90 13.340 -4.609 6.175 1.00 0.00 H new ATOM 0 HA ALA A 90 12.289 -2.851 8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.267 -1.470 7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.686 -3.192 7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.544 -2.461 6.072 1.00 0.00 H new ATOM 1476 N MET A 91 11.895 -1.870 4.950 1.00 0.00 N ATOM 1477 CA MET A 91 11.178 -0.923 4.098 1.00 0.00 C ATOM 1478 C MET A 91 9.671 -0.984 4.361 1.00 0.00 C ATOM 1479 O MET A 91 8.995 0.045 4.366 1.00 0.00 O ATOM 1480 CB MET A 91 11.468 -1.203 2.619 1.00 0.00 C ATOM 1481 CG MET A 91 12.768 -0.585 2.127 1.00 0.00 C ATOM 1482 SD MET A 91 12.971 -0.716 0.340 1.00 0.00 S ATOM 1483 CE MET A 91 14.395 0.340 0.090 1.00 0.00 C ATOM 0 H MET A 91 12.395 -2.599 4.441 1.00 0.00 H new ATOM 0 HA MET A 91 11.529 0.080 4.340 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.505 -2.281 2.462 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.643 -0.822 2.017 1.00 0.00 H new ATOM 0 HG2 MET A 91 12.798 0.466 2.415 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.608 -1.075 2.620 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.249 0.941 -0.808 1.00 0.00 H new ATOM 0 HE2 MET A 91 14.516 0.997 0.951 1.00 0.00 H new ATOM 0 HE3 MET A 91 15.288 -0.274 -0.026 1.00 0.00 H new ATOM 1493 N ALA A 92 9.155 -2.196 4.586 1.00 0.00 N ATOM 1494 CA ALA A 92 7.731 -2.390 4.856 1.00 0.00 C ATOM 1495 C ALA A 92 7.327 -1.753 6.187 1.00 0.00 C ATOM 1496 O ALA A 92 6.300 -1.079 6.274 1.00 0.00 O ATOM 1497 CB ALA A 92 7.388 -3.875 4.851 1.00 0.00 C ATOM 0 H ALA A 92 9.704 -3.056 4.586 1.00 0.00 H new ATOM 0 HA ALA A 92 7.168 -1.896 4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.325 -4.004 5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.626 -4.300 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.968 -4.385 5.620 1.00 0.00 H new ATOM 1503 N ARG A 93 8.143 -1.970 7.224 1.00 0.00 N ATOM 1504 CA ARG A 93 7.866 -1.413 8.552 1.00 0.00 C ATOM 1505 C ARG A 93 7.783 0.112 8.510 1.00 0.00 C ATOM 1506 O ARG A 93 6.929 0.709 9.166 1.00 0.00 O ATOM 1507 CB ARG A 93 8.946 -1.840 9.552 1.00 0.00 C ATOM 1508 CG ARG A 93 8.422 -2.035 10.969 1.00 0.00 C ATOM 1509 CD ARG A 93 8.925 -0.947 11.910 1.00 0.00 C ATOM 1510 NE ARG A 93 9.163 -1.455 13.262 1.00 0.00 N ATOM 1511 CZ ARG A 93 10.181 -2.256 13.592 1.00 0.00 C ATOM 1512 NH1 ARG A 93 11.052 -2.659 12.670 1.00 0.00 N ATOM 1513 NH2 ARG A 93 10.325 -2.658 14.850 1.00 0.00 N ATOM 0 H ARG A 93 8.997 -2.525 7.170 1.00 0.00 H new ATOM 0 HA ARG A 93 6.901 -1.804 8.875 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.399 -2.771 9.210 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.735 -1.088 9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.332 -2.031 10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.734 -3.011 11.341 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.849 -0.525 11.514 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.196 -0.138 11.950 1.00 0.00 H new ATOM 0 HE ARG A 93 8.512 -1.181 13.998 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.946 -2.357 11.702 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.826 -3.270 12.932 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.660 -2.355 15.561 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.101 -3.269 15.104 1.00 0.00 H new ATOM 1527 N LYS A 94 8.672 0.734 7.732 1.00 0.00 N ATOM 1528 CA LYS A 94 8.697 2.189 7.598 1.00 0.00 C ATOM 1529 C LYS A 94 7.388 2.711 6.999 1.00 0.00 C ATOM 1530 O LYS A 94 6.918 3.788 7.364 1.00 0.00 O ATOM 1531 CB LYS A 94 9.885 2.614 6.729 1.00 0.00 C ATOM 1532 CG LYS A 94 11.171 2.818 7.517 1.00 0.00 C ATOM 1533 CD LYS A 94 12.368 3.029 6.601 1.00 0.00 C ATOM 1534 CE LYS A 94 13.681 2.727 7.313 1.00 0.00 C ATOM 1535 NZ LYS A 94 14.403 3.970 7.712 1.00 0.00 N ATOM 0 H LYS A 94 9.384 0.250 7.185 1.00 0.00 H new ATOM 0 HA LYS A 94 8.808 2.622 8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.054 1.857 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.634 3.540 6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.061 3.680 8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.349 1.951 8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.273 2.388 5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.376 4.059 6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.482 2.124 8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.319 2.132 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.290 3.717 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.617 4.534 6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.806 4.526 8.357 1.00 0.00 H new ATOM 1549 N LEU A 95 6.800 1.940 6.084 1.00 0.00 N ATOM 1550 CA LEU A 95 5.541 2.327 5.447 1.00 0.00 C ATOM 1551 C LEU A 95 4.348 2.111 6.387 1.00 0.00 C ATOM 1552 O LEU A 95 3.317 2.770 6.246 1.00 0.00 O ATOM 1553 CB LEU A 95 5.335 1.531 4.157 1.00 0.00 C ATOM 1554 CG LEU A 95 6.387 1.766 3.071 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.694 0.471 2.334 1.00 0.00 C ATOM 1556 CD2 LEU A 95 5.915 2.840 2.100 1.00 0.00 C ATOM 0 H LEU A 95 7.174 1.045 5.768 1.00 0.00 H new ATOM 0 HA LEU A 95 5.600 3.390 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.321 0.469 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.354 1.777 3.750 1.00 0.00 H new ATOM 0 HG LEU A 95 7.305 2.112 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.444 0.659 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.074 -0.268 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.784 0.093 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.674 2.996 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.984 2.522 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.749 3.772 2.641 1.00 0.00 H new ATOM 1568 N GLN A 96 4.487 1.180 7.336 1.00 0.00 N ATOM 1569 CA GLN A 96 3.414 0.874 8.284 1.00 0.00 C ATOM 1570 C GLN A 96 3.082 2.074 9.175 1.00 0.00 C ATOM 1571 O GLN A 96 1.910 2.410 9.356 1.00 0.00 O ATOM 1572 CB GLN A 96 3.794 -0.330 9.152 1.00 0.00 C ATOM 1573 CG GLN A 96 2.602 -1.184 9.559 1.00 0.00 C ATOM 1574 CD GLN A 96 2.189 -0.979 11.007 1.00 0.00 C ATOM 1575 OE1 GLN A 96 2.705 -0.101 11.697 1.00 0.00 O ATOM 1576 NE2 GLN A 96 1.251 -1.797 11.476 1.00 0.00 N ATOM 0 H GLN A 96 5.333 0.626 7.467 1.00 0.00 H new ATOM 0 HA GLN A 96 2.525 0.633 7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.506 -0.950 8.608 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.301 0.024 10.050 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.758 -0.952 8.910 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.845 -2.235 9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.849 -2.512 10.870 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.934 -1.709 12.441 1.00 0.00 H new ATOM 1585 N ASP A 97 4.114 2.716 9.729 1.00 0.00 N ATOM 1586 CA ASP A 97 3.920 3.877 10.600 1.00 0.00 C ATOM 1587 C ASP A 97 3.313 5.046 9.824 1.00 0.00 C ATOM 1588 O ASP A 97 2.514 5.810 10.367 1.00 0.00 O ATOM 1589 CB ASP A 97 5.244 4.297 11.260 1.00 0.00 C ATOM 1590 CG ASP A 97 6.386 4.443 10.269 1.00 0.00 C ATOM 1591 OD1 ASP A 97 6.502 5.521 9.648 1.00 0.00 O ATOM 1592 OD2 ASP A 97 7.166 3.480 10.117 1.00 0.00 O ATOM 0 H ASP A 97 5.089 2.452 9.590 1.00 0.00 H new ATOM 0 HA ASP A 97 3.223 3.591 11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.099 5.244 11.780 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.517 3.558 12.014 1.00 0.00 H new ATOM 1597 N VAL A 98 3.683 5.166 8.548 1.00 0.00 N ATOM 1598 CA VAL A 98 3.157 6.231 7.694 1.00 0.00 C ATOM 1599 C VAL A 98 1.666 6.020 7.429 1.00 0.00 C ATOM 1600 O VAL A 98 0.900 6.981 7.355 1.00 0.00 O ATOM 1601 CB VAL A 98 3.909 6.315 6.343 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.452 7.533 5.550 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.417 6.354 6.561 1.00 0.00 C ATOM 0 H VAL A 98 4.343 4.541 8.085 1.00 0.00 H new ATOM 0 HA VAL A 98 3.307 7.169 8.228 1.00 0.00 H new ATOM 0 HB VAL A 98 3.672 5.420 5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.992 7.575 4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.382 7.459 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.655 8.438 6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.923 6.413 5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.676 7.227 7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.733 5.450 7.082 1.00 0.00 H new ATOM 1613 N PHE A 99 1.261 4.754 7.291 1.00 0.00 N ATOM 1614 CA PHE A 99 -0.138 4.417 7.040 1.00 0.00 C ATOM 1615 C PHE A 99 -1.012 4.767 8.243 1.00 0.00 C ATOM 1616 O PHE A 99 -2.059 5.394 8.089 1.00 0.00 O ATOM 1617 CB PHE A 99 -0.282 2.929 6.707 1.00 0.00 C ATOM 1618 CG PHE A 99 -1.454 2.627 5.814 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -1.372 2.842 4.447 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -2.637 2.131 6.341 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -2.447 2.571 3.623 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -3.715 1.857 5.520 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.620 2.077 4.160 1.00 0.00 C ATOM 0 H PHE A 99 1.884 3.948 7.349 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.474 5.006 6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.632 2.582 6.224 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.386 2.365 7.634 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.457 3.226 4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.717 1.957 7.404 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.371 2.745 2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.631 1.471 5.942 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.461 1.863 3.517 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.577 4.360 9.439 1.00 0.00 N ATOM 1634 CA GLU A 100 -1.330 4.637 10.666 1.00 0.00 C ATOM 1635 C GLU A 100 -1.528 6.140 10.863 1.00 0.00 C ATOM 1636 O GLU A 100 -2.615 6.586 11.233 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.619 4.038 11.888 1.00 0.00 C ATOM 1638 CG GLU A 100 -1.553 3.305 12.841 1.00 0.00 C ATOM 1639 CD GLU A 100 -2.673 4.188 13.359 1.00 0.00 C ATOM 1640 OE1 GLU A 100 -2.418 4.991 14.281 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -3.804 4.078 12.841 1.00 0.00 O ATOM 0 H GLU A 100 0.288 3.840 9.584 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.310 4.170 10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.152 3.348 11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.114 4.837 12.431 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.982 2.443 12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.978 2.923 13.684 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.471 6.917 10.613 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.533 8.371 10.765 1.00 0.00 C ATOM 1650 C PHE A 101 -1.522 8.991 9.776 1.00 0.00 C ATOM 1651 O PHE A 101 -2.249 9.924 10.119 1.00 0.00 O ATOM 1652 CB PHE A 101 0.854 8.987 10.563 1.00 0.00 C ATOM 1653 CG PHE A 101 1.167 10.097 11.528 1.00 0.00 C ATOM 1654 CD1 PHE A 101 0.473 11.297 11.477 1.00 0.00 C ATOM 1655 CD2 PHE A 101 2.154 9.940 12.488 1.00 0.00 C ATOM 1656 CE1 PHE A 101 0.759 12.318 12.364 1.00 0.00 C ATOM 1657 CE2 PHE A 101 2.445 10.957 13.377 1.00 0.00 C ATOM 1658 CZ PHE A 101 1.746 12.147 13.315 1.00 0.00 C ATOM 0 H PHE A 101 0.435 6.564 10.305 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.879 8.584 11.776 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.607 8.206 10.664 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.927 9.370 9.545 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.300 11.435 10.736 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.703 9.011 12.542 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.212 13.248 12.313 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.218 10.822 14.119 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.971 12.943 14.009 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.550 8.463 8.551 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.457 8.967 7.520 1.00 0.00 C ATOM 1670 C ARG A 102 -3.880 8.454 7.748 1.00 0.00 C ATOM 1671 O ARG A 102 -4.851 9.166 7.492 1.00 0.00 O ATOM 1672 CB ARG A 102 -1.970 8.563 6.123 1.00 0.00 C ATOM 1673 CG ARG A 102 -0.757 9.348 5.643 1.00 0.00 C ATOM 1674 CD ARG A 102 -1.125 10.778 5.277 1.00 0.00 C ATOM 1675 NE ARG A 102 0.055 11.627 5.118 1.00 0.00 N ATOM 1676 CZ ARG A 102 0.018 12.963 5.070 1.00 0.00 C ATOM 1677 NH1 ARG A 102 -1.141 13.612 5.169 1.00 0.00 N ATOM 1678 NH2 ARG A 102 1.143 13.652 4.923 1.00 0.00 N ATOM 0 H ARG A 102 -0.957 7.689 8.250 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.466 10.055 7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.725 7.501 6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.784 8.700 5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.004 9.356 6.423 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.321 8.851 4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.699 10.778 4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.769 11.195 6.051 1.00 0.00 H new ATOM 0 HE ARG A 102 0.964 11.171 5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.010 13.090 5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.160 14.631 5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.035 13.162 4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.116 14.671 4.886 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.995 7.216 8.237 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.297 6.609 8.506 1.00 0.00 C ATOM 1694 C TYR A 103 -6.063 7.382 9.583 1.00 0.00 C ATOM 1695 O TYR A 103 -7.289 7.307 9.647 1.00 0.00 O ATOM 1696 CB TYR A 103 -5.134 5.148 8.934 1.00 0.00 C ATOM 1697 CG TYR A 103 -6.293 4.260 8.526 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.608 4.064 7.186 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -7.070 3.617 9.483 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.661 3.252 6.812 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -8.127 2.804 9.115 1.00 0.00 C ATOM 1702 CZ TYR A 103 -8.418 2.624 7.779 1.00 0.00 C ATOM 1703 OH TYR A 103 -9.467 1.812 7.407 1.00 0.00 O ATOM 0 H TYR A 103 -3.200 6.616 8.454 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.872 6.648 7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.215 4.752 8.501 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.020 5.107 10.017 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -6.020 4.555 6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.845 3.754 10.530 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -7.891 3.109 5.766 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.722 2.312 9.871 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.897 1.445 8.208 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.340 8.128 10.425 1.00 0.00 N ATOM 1714 CA ALA A 104 -5.968 8.913 11.486 1.00 0.00 C ATOM 1715 C ALA A 104 -6.740 10.097 10.902 1.00 0.00 C ATOM 1716 O ALA A 104 -7.848 10.401 11.343 1.00 0.00 O ATOM 1717 CB ALA A 104 -4.924 9.400 12.481 1.00 0.00 C ATOM 0 H ALA A 104 -4.323 8.203 10.391 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.674 8.269 12.011 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.411 9.982 13.263 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.419 8.543 12.927 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.193 10.024 11.966 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.148 10.756 9.904 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.783 11.902 9.252 1.00 0.00 C ATOM 1725 C LYS A 105 -7.813 11.455 8.208 1.00 0.00 C ATOM 1726 O LYS A 105 -8.649 12.251 7.779 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.727 12.796 8.590 1.00 0.00 C ATOM 1728 CG LYS A 105 -5.069 13.780 9.547 1.00 0.00 C ATOM 1729 CD LYS A 105 -5.817 15.105 9.592 1.00 0.00 C ATOM 1730 CE LYS A 105 -5.106 16.178 8.780 1.00 0.00 C ATOM 1731 NZ LYS A 105 -5.598 17.547 9.107 1.00 0.00 N ATOM 0 H LYS A 105 -5.230 10.515 9.530 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.304 12.470 10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.957 12.165 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.193 13.351 7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.034 13.347 10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.038 13.954 9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.827 14.966 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.913 15.434 10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.034 16.124 8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.253 15.985 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.087 18.246 8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.616 17.608 8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.435 17.743 10.115 1.00 0.00 H new ATOM 1745 N MET A 106 -7.746 10.184 7.796 1.00 0.00 N ATOM 1746 CA MET A 106 -8.673 9.644 6.799 1.00 0.00 C ATOM 1747 C MET A 106 -10.135 9.902 7.184 1.00 0.00 C ATOM 1748 O MET A 106 -10.871 10.537 6.429 1.00 0.00 O ATOM 1749 CB MET A 106 -8.440 8.140 6.605 1.00 0.00 C ATOM 1750 CG MET A 106 -7.321 7.813 5.629 1.00 0.00 C ATOM 1751 SD MET A 106 -7.640 8.427 3.963 1.00 0.00 S ATOM 1752 CE MET A 106 -9.245 7.704 3.628 1.00 0.00 C ATOM 0 H MET A 106 -7.059 9.512 8.138 1.00 0.00 H new ATOM 0 HA MET A 106 -8.477 10.161 5.860 1.00 0.00 H new ATOM 0 HB2 MET A 106 -8.210 7.690 7.571 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.363 7.681 6.251 1.00 0.00 H new ATOM 0 HG2 MET A 106 -6.389 8.242 5.996 1.00 0.00 H new ATOM 0 HG3 MET A 106 -7.182 6.733 5.592 1.00 0.00 H new ATOM 0 HE1 MET A 106 -9.359 7.554 2.554 1.00 0.00 H new ATOM 0 HE2 MET A 106 -9.326 6.745 4.139 1.00 0.00 H new ATOM 0 HE3 MET A 106 -10.027 8.373 3.986 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.582 9.405 8.360 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.965 9.581 8.828 1.00 0.00 C ATOM 1764 C PRO A 107 -12.421 11.042 8.811 1.00 0.00 C ATOM 1765 O PRO A 107 -11.707 11.932 9.279 1.00 0.00 O ATOM 1766 CB PRO A 107 -11.942 9.047 10.269 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.501 8.877 10.616 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.788 8.629 9.322 1.00 0.00 C ATOM 0 HA PRO A 107 -12.668 9.060 8.178 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.429 9.743 10.952 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.477 8.100 10.344 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.112 9.767 11.111 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.362 8.043 11.304 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.753 8.968 9.359 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.767 7.569 9.068 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.618 11.276 8.266 1.00 0.00 N ATOM 1777 CA ASP A 108 -14.187 12.621 8.181 1.00 0.00 C ATOM 1778 C ASP A 108 -15.647 12.566 7.730 1.00 0.00 C ATOM 1779 O ASP A 108 -15.978 11.885 6.758 1.00 0.00 O ATOM 1780 CB ASP A 108 -13.375 13.486 7.210 1.00 0.00 C ATOM 1781 CG ASP A 108 -13.208 14.913 7.699 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -14.217 15.522 8.116 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -12.068 15.422 7.663 1.00 0.00 O ATOM 0 H ASP A 108 -14.214 10.546 7.875 1.00 0.00 H new ATOM 0 HA ASP A 108 -14.146 13.068 9.174 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.392 13.038 7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.868 13.494 6.238 1.00 0.00 H new