USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 995 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 59 THR OG1 : rot -156:sc= 0.86 USER MOD Set 1.2: A 107 GLN : amide:sc= 0.978 K(o=2.8,f=1.4) USER MOD Set 1.3: A 109 LYS NZ :NH3+ 174:sc= 0.951 (180deg=0) USER MOD Set 2.1: A 17 SER OG : rot -77:sc= 0.983 USER MOD Set 2.2: A 98 MET CE :methyl 155:sc= -0.894 (180deg=-1.87) USER MOD Set 3.1: A 74 MET CE :methyl -132:sc= -0.206 (180deg=-0.835) USER MOD Set 3.2: A 77 SER OG : rot 45:sc= 0.0469 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0.144 USER MOD Set 4.2: A 31 GLN : amide:sc= -0.0688 X(o=0.075,f=0.13) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -2.01! K(o=-2!,f=-0.051) USER MOD Single : A 13 THR OG1 : rot 107:sc= 0.914 USER MOD Single : A 16 THR OG1 : rot -80:sc= -0.784 USER MOD Single : A 20 ASN : amide:sc= 0.0847 X(o=0.085,f=-0.14) USER MOD Single : A 26 ASN : amide:sc=-0.00482 X(o=-0.0048,f=0) USER MOD Single : A 29 SER OG : rot 180:sc=0.000848 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 164:sc= -0.754 (180deg=-1.4) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 136:sc= 1.68 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -150:sc= 0.0309 USER MOD Single : A 61 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.57) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.199 (180deg=-0.384) USER MOD Single : A 65 ASN : amide:sc= -5.03! K(o=-5!,f=-2.2) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.212 K(o=-0.21,f=-2.1!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0.0205 K(o=0.021,f=-5.8!) USER MOD Single : A 84 ASN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= 0.579 (180deg=0.541) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 104 ASN : amide:sc= -0.754 K(o=-0.75,f=-4.7!) USER MOD Single : A 105 SER OG : rot -100:sc= -0.753 USER MOD Single : A 112 SER OG : rot 118:sc= 0.119 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 116 THR OG1 : rot 93:sc= 1.45 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 100:sc= -0.432 USER MOD Single : A 121 GLN : amide:sc= 0.623 K(o=0.62,f=-1.6) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 4 -20.527 10.286 -0.319 1.00 0.00 N ATOM 34 CA ALA A 4 -19.740 9.091 -0.003 1.00 0.00 C ATOM 35 C ALA A 4 -19.386 8.312 -1.271 1.00 0.00 C ATOM 36 O ALA A 4 -19.668 7.114 -1.358 1.00 0.00 O ATOM 37 CB ALA A 4 -20.445 8.217 1.046 1.00 0.00 C ATOM 0 HA ALA A 4 -18.799 9.414 0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.835 7.339 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.586 8.790 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.415 7.901 0.663 1.00 0.00 H new ATOM 43 N LEU A 5 -18.810 8.987 -2.278 1.00 0.00 N ATOM 44 CA LEU A 5 -18.558 8.352 -3.575 1.00 0.00 C ATOM 45 C LEU A 5 -17.713 7.097 -3.354 1.00 0.00 C ATOM 46 O LEU A 5 -16.805 7.140 -2.516 1.00 0.00 O ATOM 47 CB LEU A 5 -17.766 9.250 -4.538 1.00 0.00 C ATOM 48 CG LEU A 5 -18.218 10.702 -4.665 1.00 0.00 C ATOM 49 CD1 LEU A 5 -17.200 11.513 -5.452 1.00 0.00 C ATOM 50 CD2 LEU A 5 -19.577 10.794 -5.345 1.00 0.00 C ATOM 0 H LEU A 5 -18.514 9.961 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.533 8.138 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.723 9.247 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.801 8.797 -5.529 1.00 0.00 H new ATOM 0 HG LEU A 5 -18.301 11.111 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.540 12.545 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.239 11.486 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.090 11.089 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -19.875 11.840 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.515 10.359 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -20.316 10.249 -4.757 1.00 0.00 H new ATOM 62 N PRO A 6 -17.932 6.022 -4.119 1.00 0.00 N ATOM 63 CA PRO A 6 -17.179 4.791 -3.988 1.00 0.00 C ATOM 64 C PRO A 6 -15.813 4.930 -4.662 1.00 0.00 C ATOM 65 O PRO A 6 -15.583 5.846 -5.450 1.00 0.00 O ATOM 66 CB PRO A 6 -18.063 3.746 -4.663 1.00 0.00 C ATOM 67 CG PRO A 6 -18.704 4.533 -5.803 1.00 0.00 C ATOM 68 CD PRO A 6 -18.889 5.931 -5.205 1.00 0.00 C ATOM 0 HA PRO A 6 -16.961 4.520 -2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.481 2.901 -5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.810 3.344 -3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -18.065 4.554 -6.686 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.655 4.097 -6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.708 6.704 -5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.907 6.070 -4.842 1.00 0.00 H new ATOM 76 N LEU A 7 -14.921 3.992 -4.355 1.00 0.00 N ATOM 77 CA LEU A 7 -13.506 3.948 -4.717 1.00 0.00 C ATOM 78 C LEU A 7 -13.208 4.303 -6.182 1.00 0.00 C ATOM 79 O LEU A 7 -13.227 3.430 -7.056 1.00 0.00 O ATOM 80 CB LEU A 7 -12.990 2.547 -4.382 1.00 0.00 C ATOM 81 CG LEU A 7 -11.482 2.354 -4.603 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.695 3.125 -3.543 1.00 0.00 C ATOM 83 CD2 LEU A 7 -11.176 0.855 -4.547 1.00 0.00 C ATOM 0 H LEU A 7 -15.190 3.178 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.991 4.719 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.223 2.327 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.529 1.820 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.185 2.743 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.627 2.982 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.934 4.186 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.962 2.757 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.109 0.695 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.464 0.461 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.737 0.340 -5.327 1.00 0.00 H new ATOM 95 N TYR A 8 -12.861 5.561 -6.456 1.00 0.00 N ATOM 96 CA TYR A 8 -12.454 5.985 -7.790 1.00 0.00 C ATOM 97 C TYR A 8 -10.964 5.759 -8.060 1.00 0.00 C ATOM 98 O TYR A 8 -10.590 5.695 -9.232 1.00 0.00 O ATOM 99 CB TYR A 8 -12.895 7.428 -8.094 1.00 0.00 C ATOM 100 CG TYR A 8 -12.764 8.469 -6.994 1.00 0.00 C ATOM 101 CD1 TYR A 8 -11.607 9.266 -6.889 1.00 0.00 C ATOM 102 CD2 TYR A 8 -13.862 8.724 -6.149 1.00 0.00 C ATOM 103 CE1 TYR A 8 -11.549 10.302 -5.937 1.00 0.00 C ATOM 104 CE2 TYR A 8 -13.811 9.754 -5.193 1.00 0.00 C ATOM 105 CZ TYR A 8 -12.645 10.545 -5.079 1.00 0.00 C ATOM 106 OH TYR A 8 -12.575 11.550 -4.163 1.00 0.00 O ATOM 0 H TYR A 8 -12.855 6.308 -5.762 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.982 5.339 -8.491 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.321 7.777 -8.952 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -13.941 7.398 -8.401 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.764 9.082 -7.539 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.754 8.121 -6.236 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.662 10.914 -5.862 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.658 9.940 -4.549 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.411 11.586 -3.652 1.00 0.00 H new ATOM 116 N TYR A 9 -10.113 5.598 -7.038 1.00 0.00 N ATOM 117 CA TYR A 9 -8.660 5.488 -7.209 1.00 0.00 C ATOM 118 C TYR A 9 -8.053 4.589 -6.138 1.00 0.00 C ATOM 119 O TYR A 9 -8.369 4.757 -4.957 1.00 0.00 O ATOM 120 CB TYR A 9 -8.059 6.877 -7.105 1.00 0.00 C ATOM 121 CG TYR A 9 -6.555 6.984 -7.274 1.00 0.00 C ATOM 122 CD1 TYR A 9 -6.012 7.102 -8.565 1.00 0.00 C ATOM 123 CD2 TYR A 9 -5.710 7.069 -6.150 1.00 0.00 C ATOM 124 CE1 TYR A 9 -4.653 7.399 -8.742 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.363 7.440 -6.315 1.00 0.00 C ATOM 126 CZ TYR A 9 -3.835 7.628 -7.614 1.00 0.00 C ATOM 127 OH TYR A 9 -2.545 8.028 -7.789 1.00 0.00 O ATOM 0 H TYR A 9 -10.415 5.540 -6.066 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.445 5.048 -8.183 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.532 7.509 -7.857 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.322 7.289 -6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.647 6.963 -9.428 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.095 6.850 -5.165 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.234 7.452 -9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.732 7.581 -5.450 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.117 8.143 -6.915 1.00 0.00 H new ATOM 137 N LEU A 10 -7.151 3.687 -6.542 1.00 0.00 N ATOM 138 CA LEU A 10 -6.460 2.740 -5.674 1.00 0.00 C ATOM 139 C LEU A 10 -4.992 2.685 -6.074 1.00 0.00 C ATOM 140 O LEU A 10 -4.631 1.973 -7.012 1.00 0.00 O ATOM 141 CB LEU A 10 -7.105 1.352 -5.807 1.00 0.00 C ATOM 142 CG LEU A 10 -6.442 0.169 -5.115 1.00 0.00 C ATOM 143 CD1 LEU A 10 -5.628 0.434 -3.849 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.451 -0.903 -4.759 1.00 0.00 C ATOM 0 H LEU A 10 -6.875 3.597 -7.520 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.538 3.060 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.126 1.425 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.171 1.119 -6.870 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.727 -0.136 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.221 -0.505 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.811 1.118 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.271 0.878 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.943 -1.732 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.202 -0.487 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.936 -1.262 -5.667 1.00 0.00 H new ATOM 156 N GLN A 11 -4.114 3.392 -5.369 1.00 0.00 N ATOM 157 CA GLN A 11 -2.685 3.382 -5.664 1.00 0.00 C ATOM 158 C GLN A 11 -1.900 3.222 -4.380 1.00 0.00 C ATOM 159 O GLN A 11 -2.405 3.530 -3.310 1.00 0.00 O ATOM 160 CB GLN A 11 -2.303 4.668 -6.413 1.00 0.00 C ATOM 161 CG GLN A 11 -1.397 4.453 -7.639 1.00 0.00 C ATOM 162 CD GLN A 11 -2.087 3.848 -8.872 1.00 0.00 C ATOM 163 OE1 GLN A 11 -2.164 4.456 -9.933 1.00 0.00 O ATOM 164 NE2 GLN A 11 -2.589 2.626 -8.803 1.00 0.00 N ATOM 0 H GLN A 11 -4.371 3.986 -4.580 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.442 2.537 -6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.216 5.169 -6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.799 5.340 -5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.963 5.412 -7.921 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.572 3.802 -7.350 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.536 2.101 -7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.029 2.208 -9.623 1.00 0.00 H new ATOM 173 N ILE A 12 -0.680 2.700 -4.486 1.00 0.00 N ATOM 174 CA ILE A 12 0.095 2.373 -3.299 1.00 0.00 C ATOM 175 C ILE A 12 0.760 3.595 -2.644 1.00 0.00 C ATOM 176 O ILE A 12 0.960 3.550 -1.437 1.00 0.00 O ATOM 177 CB ILE A 12 1.041 1.185 -3.574 1.00 0.00 C ATOM 178 CG1 ILE A 12 0.275 -0.050 -4.105 1.00 0.00 C ATOM 179 CG2 ILE A 12 1.727 0.795 -2.263 1.00 0.00 C ATOM 180 CD1 ILE A 12 -0.977 -0.442 -3.306 1.00 0.00 C ATOM 0 H ILE A 12 -0.214 2.498 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.599 2.035 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 12 1.762 1.495 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.019 0.142 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.957 -0.900 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.400 -0.044 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.297 1.643 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.974 0.508 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.439 -1.318 -3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.696 -0.672 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.686 0.386 -3.311 1.00 0.00 H new ATOM 192 N THR A 13 0.999 4.698 -3.366 1.00 0.00 N ATOM 193 CA THR A 13 1.357 6.029 -2.845 1.00 0.00 C ATOM 194 C THR A 13 2.738 6.130 -2.203 1.00 0.00 C ATOM 195 O THR A 13 3.535 6.970 -2.616 1.00 0.00 O ATOM 196 CB THR A 13 0.312 6.601 -1.864 1.00 0.00 C ATOM 197 OG1 THR A 13 -0.853 5.830 -1.771 1.00 0.00 O ATOM 198 CG2 THR A 13 -0.098 8.005 -2.275 1.00 0.00 C ATOM 0 H THR A 13 0.946 4.688 -4.385 1.00 0.00 H new ATOM 0 HA THR A 13 1.377 6.632 -3.753 1.00 0.00 H new ATOM 0 HB THR A 13 0.804 6.598 -0.891 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.865 5.357 -0.913 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.835 8.390 -1.570 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.777 8.654 -2.275 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.531 7.980 -3.275 1.00 0.00 H new ATOM 206 N GLY A 14 3.012 5.330 -1.180 1.00 0.00 N ATOM 207 CA GLY A 14 4.298 5.185 -0.525 1.00 0.00 C ATOM 208 C GLY A 14 4.387 3.840 0.182 1.00 0.00 C ATOM 209 O GLY A 14 3.377 3.175 0.444 1.00 0.00 O ATOM 0 H GLY A 14 2.298 4.732 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.099 5.270 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.439 5.991 0.195 1.00 0.00 H new ATOM 213 N ILE A 15 5.612 3.447 0.499 1.00 0.00 N ATOM 214 CA ILE A 15 5.986 2.135 0.998 1.00 0.00 C ATOM 215 C ILE A 15 7.206 2.333 1.893 1.00 0.00 C ATOM 216 O ILE A 15 7.980 3.255 1.662 1.00 0.00 O ATOM 217 CB ILE A 15 6.281 1.226 -0.220 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.498 -0.244 0.194 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.466 1.745 -1.068 1.00 0.00 C ATOM 220 CD1 ILE A 15 6.516 -1.180 -1.019 1.00 0.00 C ATOM 0 H ILE A 15 6.414 4.070 0.409 1.00 0.00 H new ATOM 0 HA ILE A 15 5.200 1.656 1.582 1.00 0.00 H new ATOM 0 HB ILE A 15 5.392 1.264 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.439 -0.334 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.706 -0.550 0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.633 1.073 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.237 2.743 -1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.364 1.785 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.671 -2.206 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.565 -1.110 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.325 -0.891 -1.690 1.00 0.00 H new ATOM 232 N THR A 16 7.404 1.464 2.875 1.00 0.00 N ATOM 233 CA THR A 16 8.650 1.353 3.615 1.00 0.00 C ATOM 234 C THR A 16 8.686 -0.054 4.226 1.00 0.00 C ATOM 235 O THR A 16 7.699 -0.791 4.196 1.00 0.00 O ATOM 236 CB THR A 16 8.778 2.533 4.618 1.00 0.00 C ATOM 237 OG1 THR A 16 9.944 2.442 5.406 1.00 0.00 O ATOM 238 CG2 THR A 16 7.625 2.695 5.614 1.00 0.00 C ATOM 0 H THR A 16 6.689 0.805 3.184 1.00 0.00 H new ATOM 0 HA THR A 16 9.535 1.449 2.986 1.00 0.00 H new ATOM 0 HB THR A 16 8.788 3.391 3.945 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.796 1.807 6.137 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.822 3.548 6.263 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.695 2.860 5.070 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.537 1.792 6.219 1.00 0.00 H new ATOM 246 N SER A 17 9.807 -0.421 4.830 1.00 0.00 N ATOM 247 CA SER A 17 9.954 -1.608 5.655 1.00 0.00 C ATOM 248 C SER A 17 10.619 -1.187 6.958 1.00 0.00 C ATOM 249 O SER A 17 11.014 -0.027 7.117 1.00 0.00 O ATOM 250 CB SER A 17 10.720 -2.681 4.886 1.00 0.00 C ATOM 251 OG SER A 17 9.796 -3.313 4.033 1.00 0.00 O ATOM 0 H SER A 17 10.669 0.120 4.755 1.00 0.00 H new ATOM 0 HA SER A 17 8.992 -2.057 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.534 -2.238 4.312 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.168 -3.401 5.571 1.00 0.00 H new ATOM 0 HG SER A 17 9.242 -3.932 4.552 1.00 0.00 H new ATOM 257 N ASP A 18 10.723 -2.116 7.902 1.00 0.00 N ATOM 258 CA ASP A 18 11.447 -1.881 9.143 1.00 0.00 C ATOM 259 C ASP A 18 12.954 -1.695 8.881 1.00 0.00 C ATOM 260 O ASP A 18 13.592 -0.863 9.520 1.00 0.00 O ATOM 261 CB ASP A 18 11.174 -3.023 10.118 1.00 0.00 C ATOM 262 CG ASP A 18 11.972 -2.811 11.397 1.00 0.00 C ATOM 263 OD1 ASP A 18 11.536 -1.995 12.235 1.00 0.00 O ATOM 264 OD2 ASP A 18 13.021 -3.483 11.539 1.00 0.00 O ATOM 0 H ASP A 18 10.311 -3.046 7.829 1.00 0.00 H new ATOM 0 HA ASP A 18 11.092 -0.954 9.594 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.109 -3.072 10.347 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.446 -3.975 9.662 1.00 0.00 H new ATOM 269 N GLY A 19 13.523 -2.376 7.875 1.00 0.00 N ATOM 270 CA GLY A 19 14.881 -2.140 7.386 1.00 0.00 C ATOM 271 C GLY A 19 14.916 -0.991 6.373 1.00 0.00 C ATOM 272 O GLY A 19 15.477 -1.101 5.277 1.00 0.00 O ATOM 0 H GLY A 19 13.039 -3.120 7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.537 -1.908 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.266 -3.048 6.922 1.00 0.00 H new ATOM 276 N ASN A 20 14.232 0.107 6.676 1.00 0.00 N ATOM 277 CA ASN A 20 14.149 1.260 5.788 1.00 0.00 C ATOM 278 C ASN A 20 14.088 2.595 6.515 1.00 0.00 C ATOM 279 O ASN A 20 13.896 3.615 5.859 1.00 0.00 O ATOM 280 CB ASN A 20 12.952 1.090 4.841 1.00 0.00 C ATOM 281 CG ASN A 20 13.370 1.111 3.394 1.00 0.00 C ATOM 282 OD1 ASN A 20 12.861 1.875 2.592 1.00 0.00 O ATOM 283 ND2 ASN A 20 14.276 0.227 3.020 1.00 0.00 N ATOM 0 H ASN A 20 13.717 0.222 7.549 1.00 0.00 H new ATOM 0 HA ASN A 20 15.076 1.289 5.216 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.448 0.148 5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.231 1.887 5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.563 0.173 2.043 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.689 -0.403 3.708 1.00 0.00 H new ATOM 290 N ASP A 21 14.254 2.629 7.840 1.00 0.00 N ATOM 291 CA ASP A 21 14.254 3.883 8.616 1.00 0.00 C ATOM 292 C ASP A 21 12.950 4.675 8.406 1.00 0.00 C ATOM 293 O ASP A 21 12.931 5.904 8.407 1.00 0.00 O ATOM 294 CB ASP A 21 15.517 4.707 8.293 1.00 0.00 C ATOM 295 CG ASP A 21 16.159 5.305 9.542 1.00 0.00 C ATOM 296 OD1 ASP A 21 15.452 5.844 10.418 1.00 0.00 O ATOM 297 OD2 ASP A 21 17.399 5.158 9.673 1.00 0.00 O ATOM 0 H ASP A 21 14.392 1.793 8.408 1.00 0.00 H new ATOM 0 HA ASP A 21 14.288 3.642 9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.242 4.071 7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.257 5.509 7.602 1.00 0.00 H new ATOM 302 N PHE A 22 11.855 3.949 8.146 1.00 0.00 N ATOM 303 CA PHE A 22 10.538 4.479 7.808 1.00 0.00 C ATOM 304 C PHE A 22 10.571 5.497 6.648 1.00 0.00 C ATOM 305 O PHE A 22 9.752 6.419 6.615 1.00 0.00 O ATOM 306 CB PHE A 22 9.815 4.966 9.075 1.00 0.00 C ATOM 307 CG PHE A 22 9.349 3.855 10.001 1.00 0.00 C ATOM 308 CD1 PHE A 22 10.273 3.119 10.768 1.00 0.00 C ATOM 309 CD2 PHE A 22 7.975 3.576 10.126 1.00 0.00 C ATOM 310 CE1 PHE A 22 9.825 2.151 11.682 1.00 0.00 C ATOM 311 CE2 PHE A 22 7.529 2.635 11.068 1.00 0.00 C ATOM 312 CZ PHE A 22 8.450 1.919 11.847 1.00 0.00 C ATOM 0 H PHE A 22 11.869 2.929 8.168 1.00 0.00 H new ATOM 0 HA PHE A 22 9.936 3.665 7.404 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.483 5.626 9.628 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.951 5.561 8.779 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.332 3.300 10.653 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.262 4.087 9.496 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.540 1.584 12.259 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.470 2.461 11.194 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.104 1.194 12.569 1.00 0.00 H new ATOM 322 N ALA A 23 11.504 5.356 5.698 1.00 0.00 N ATOM 323 CA ALA A 23 11.568 6.121 4.457 1.00 0.00 C ATOM 324 C ALA A 23 10.365 5.790 3.559 1.00 0.00 C ATOM 325 O ALA A 23 10.443 4.898 2.724 1.00 0.00 O ATOM 326 CB ALA A 23 12.894 5.813 3.748 1.00 0.00 C ATOM 0 H ALA A 23 12.262 4.678 5.781 1.00 0.00 H new ATOM 0 HA ALA A 23 11.525 7.187 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.950 6.381 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.726 6.092 4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.949 4.747 3.526 1.00 0.00 H new ATOM 332 N TRP A 24 9.251 6.508 3.721 1.00 0.00 N ATOM 333 CA TRP A 24 7.958 6.232 3.093 1.00 0.00 C ATOM 334 C TRP A 24 7.898 6.373 1.569 1.00 0.00 C ATOM 335 O TRP A 24 6.850 6.068 0.997 1.00 0.00 O ATOM 336 CB TRP A 24 6.905 7.147 3.736 1.00 0.00 C ATOM 337 CG TRP A 24 6.251 6.548 4.931 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.367 6.963 6.210 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.399 5.374 4.962 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.603 6.152 7.023 1.00 0.00 N ATOM 341 CE2 TRP A 24 4.987 5.146 6.305 1.00 0.00 C ATOM 342 CE3 TRP A 24 4.965 4.461 3.979 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.150 4.074 6.647 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.163 3.361 4.319 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.744 3.174 5.647 1.00 0.00 C ATOM 0 H TRP A 24 9.225 7.333 4.320 1.00 0.00 H new ATOM 0 HA TRP A 24 7.766 5.174 3.271 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.377 8.087 4.022 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.142 7.387 2.995 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.964 7.799 6.544 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.505 6.280 8.030 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.254 4.611 2.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.821 3.942 7.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.867 2.655 3.557 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.109 2.338 5.900 1.00 0.00 H new ATOM 356 N ASP A 25 8.927 6.946 0.948 1.00 0.00 N ATOM 357 CA ASP A 25 9.273 6.844 -0.476 1.00 0.00 C ATOM 358 C ASP A 25 8.070 6.947 -1.429 1.00 0.00 C ATOM 359 O ASP A 25 7.479 5.941 -1.832 1.00 0.00 O ATOM 360 CB ASP A 25 10.182 5.651 -0.794 1.00 0.00 C ATOM 361 CG ASP A 25 11.523 6.101 -1.373 1.00 0.00 C ATOM 362 OD1 ASP A 25 11.558 6.670 -2.488 1.00 0.00 O ATOM 363 OD2 ASP A 25 12.585 5.904 -0.745 1.00 0.00 O ATOM 0 H ASP A 25 9.588 7.534 1.456 1.00 0.00 H new ATOM 0 HA ASP A 25 9.865 7.738 -0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.353 5.072 0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.682 4.991 -1.503 1.00 0.00 H new ATOM 368 N ASN A 26 7.673 8.171 -1.774 1.00 0.00 N ATOM 369 CA ASN A 26 6.482 8.427 -2.581 1.00 0.00 C ATOM 370 C ASN A 26 6.578 7.791 -3.964 1.00 0.00 C ATOM 371 O ASN A 26 7.272 8.286 -4.856 1.00 0.00 O ATOM 372 CB ASN A 26 6.133 9.917 -2.693 1.00 0.00 C ATOM 373 CG ASN A 26 5.211 10.333 -1.561 1.00 0.00 C ATOM 374 OD1 ASN A 26 5.602 11.062 -0.651 1.00 0.00 O ATOM 375 ND2 ASN A 26 3.991 9.825 -1.550 1.00 0.00 N ATOM 0 H ASN A 26 8.172 9.017 -1.500 1.00 0.00 H new ATOM 0 HA ASN A 26 5.663 7.950 -2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.045 10.513 -2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.653 10.113 -3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.358 10.036 -0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.683 9.222 -2.313 1.00 0.00 H new ATOM 382 N LEU A 27 5.851 6.695 -4.145 1.00 0.00 N ATOM 383 CA LEU A 27 5.747 5.952 -5.381 1.00 0.00 C ATOM 384 C LEU A 27 5.000 6.797 -6.389 1.00 0.00 C ATOM 385 O LEU A 27 3.881 7.262 -6.137 1.00 0.00 O ATOM 386 CB LEU A 27 5.022 4.617 -5.170 1.00 0.00 C ATOM 387 CG LEU A 27 5.680 3.722 -4.111 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.874 2.431 -3.997 1.00 0.00 C ATOM 389 CD2 LEU A 27 7.145 3.416 -4.425 1.00 0.00 C ATOM 0 H LEU A 27 5.294 6.286 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 27 6.749 5.726 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.991 4.815 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.986 4.079 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 27 5.679 4.257 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.329 1.783 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.851 2.665 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.865 1.921 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.559 2.780 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.212 2.903 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.709 4.347 -4.472 1.00 0.00 H new ATOM 401 N THR A 28 5.635 6.982 -7.534 1.00 0.00 N ATOM 402 CA THR A 28 5.154 7.819 -8.612 1.00 0.00 C ATOM 403 C THR A 28 3.805 7.327 -9.157 1.00 0.00 C ATOM 404 O THR A 28 3.414 6.166 -8.973 1.00 0.00 O ATOM 405 CB THR A 28 6.250 7.937 -9.698 1.00 0.00 C ATOM 406 OG1 THR A 28 7.402 7.167 -9.416 1.00 0.00 O ATOM 407 CG2 THR A 28 6.689 9.392 -9.798 1.00 0.00 C ATOM 0 H THR A 28 6.529 6.537 -7.742 1.00 0.00 H new ATOM 0 HA THR A 28 4.956 8.821 -8.232 1.00 0.00 H new ATOM 0 HB THR A 28 5.812 7.566 -10.625 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.056 7.281 -10.137 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.462 9.487 -10.561 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.834 10.012 -10.068 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.086 9.719 -8.837 1.00 0.00 H new ATOM 415 N SER A 29 3.093 8.230 -9.834 1.00 0.00 N ATOM 416 CA SER A 29 1.694 8.075 -10.215 1.00 0.00 C ATOM 417 C SER A 29 1.447 6.916 -11.180 1.00 0.00 C ATOM 418 O SER A 29 0.302 6.499 -11.327 1.00 0.00 O ATOM 419 CB SER A 29 1.199 9.376 -10.852 1.00 0.00 C ATOM 420 OG SER A 29 1.564 10.502 -10.072 1.00 0.00 O ATOM 0 H SER A 29 3.491 9.118 -10.141 1.00 0.00 H new ATOM 0 HA SER A 29 1.144 7.846 -9.303 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.616 9.474 -11.854 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.115 9.341 -10.960 1.00 0.00 H new ATOM 0 HG SER A 29 1.237 11.319 -10.503 1.00 0.00 H new ATOM 426 N SER A 30 2.485 6.394 -11.835 1.00 0.00 N ATOM 427 CA SER A 30 2.394 5.248 -12.732 1.00 0.00 C ATOM 428 C SER A 30 3.568 4.280 -12.532 1.00 0.00 C ATOM 429 O SER A 30 3.800 3.443 -13.401 1.00 0.00 O ATOM 430 CB SER A 30 2.289 5.756 -14.175 1.00 0.00 C ATOM 431 OG SER A 30 1.330 6.796 -14.279 1.00 0.00 O ATOM 0 H SER A 30 3.431 6.766 -11.753 1.00 0.00 H new ATOM 0 HA SER A 30 1.497 4.673 -12.501 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.261 6.118 -14.508 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.012 4.934 -14.835 1.00 0.00 H new ATOM 0 HG SER A 30 1.282 7.105 -15.208 1.00 0.00 H new ATOM 437 N GLN A 31 4.305 4.405 -11.416 1.00 0.00 N ATOM 438 CA GLN A 31 5.467 3.594 -11.047 1.00 0.00 C ATOM 439 C GLN A 31 5.168 2.100 -11.238 1.00 0.00 C ATOM 440 O GLN A 31 4.042 1.657 -11.010 1.00 0.00 O ATOM 441 CB GLN A 31 5.818 3.890 -9.577 1.00 0.00 C ATOM 442 CG GLN A 31 7.132 3.286 -9.065 1.00 0.00 C ATOM 443 CD GLN A 31 8.266 4.280 -8.851 1.00 0.00 C ATOM 444 OE1 GLN A 31 8.970 4.659 -9.786 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.482 4.702 -7.612 1.00 0.00 N ATOM 0 H GLN A 31 4.091 5.113 -10.713 1.00 0.00 H new ATOM 0 HA GLN A 31 6.311 3.846 -11.689 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.862 4.971 -9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.005 3.526 -8.949 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.935 2.776 -8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.465 2.528 -9.774 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.887 4.375 -6.851 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.244 5.353 -7.420 1.00 0.00 H new ATOM 454 N THR A 32 6.194 1.320 -11.578 1.00 0.00 N ATOM 455 CA THR A 32 6.094 -0.124 -11.765 1.00 0.00 C ATOM 456 C THR A 32 7.220 -0.888 -11.047 1.00 0.00 C ATOM 457 O THR A 32 7.292 -2.113 -11.128 1.00 0.00 O ATOM 458 CB THR A 32 6.072 -0.412 -13.270 1.00 0.00 C ATOM 459 OG1 THR A 32 7.236 0.129 -13.866 1.00 0.00 O ATOM 460 CG2 THR A 32 4.849 0.188 -13.965 1.00 0.00 C ATOM 0 H THR A 32 7.135 1.683 -11.734 1.00 0.00 H new ATOM 0 HA THR A 32 5.171 -0.482 -11.310 1.00 0.00 H new ATOM 0 HB THR A 32 6.030 -1.495 -13.390 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.226 -0.055 -14.829 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.884 -0.046 -15.029 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.941 -0.231 -13.531 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.849 1.270 -13.831 1.00 0.00 H new ATOM 468 N LYS A 33 8.133 -0.202 -10.348 1.00 0.00 N ATOM 469 CA LYS A 33 9.193 -0.829 -9.554 1.00 0.00 C ATOM 470 C LYS A 33 9.486 0.067 -8.358 1.00 0.00 C ATOM 471 O LYS A 33 9.217 1.266 -8.385 1.00 0.00 O ATOM 472 CB LYS A 33 10.445 -1.063 -10.425 1.00 0.00 C ATOM 473 CG LYS A 33 11.172 -2.373 -10.070 1.00 0.00 C ATOM 474 CD LYS A 33 12.328 -2.277 -9.058 1.00 0.00 C ATOM 475 CE LYS A 33 13.698 -2.033 -9.709 1.00 0.00 C ATOM 476 NZ LYS A 33 14.003 -0.602 -9.911 1.00 0.00 N ATOM 0 H LYS A 33 8.155 0.817 -10.319 1.00 0.00 H new ATOM 0 HA LYS A 33 8.876 -1.807 -9.191 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.154 -1.085 -11.475 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.131 -0.225 -10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.435 -3.074 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.563 -2.804 -10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.119 -1.469 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.370 -3.199 -8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.473 -2.478 -9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.731 -2.544 -10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.939 -0.506 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.283 -0.177 -10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.002 -0.114 -8.993 1.00 0.00 H new ATOM 490 N ALA A 34 9.980 -0.528 -7.284 1.00 0.00 N ATOM 491 CA ALA A 34 10.302 0.151 -6.045 1.00 0.00 C ATOM 492 C ALA A 34 11.478 1.097 -6.276 1.00 0.00 C ATOM 493 O ALA A 34 12.251 0.904 -7.223 1.00 0.00 O ATOM 494 CB ALA A 34 10.662 -0.894 -4.983 1.00 0.00 C ATOM 0 H ALA A 34 10.173 -1.529 -7.253 1.00 0.00 H new ATOM 0 HA ALA A 34 9.446 0.732 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.906 -0.392 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.814 -1.561 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.522 -1.473 -5.319 1.00 0.00 H new ATOM 500 N PRO A 35 11.670 2.080 -5.387 1.00 0.00 N ATOM 501 CA PRO A 35 12.844 2.923 -5.433 1.00 0.00 C ATOM 502 C PRO A 35 14.101 2.102 -5.141 1.00 0.00 C ATOM 503 O PRO A 35 15.013 2.081 -5.969 1.00 0.00 O ATOM 504 CB PRO A 35 12.608 4.027 -4.405 1.00 0.00 C ATOM 505 CG PRO A 35 11.583 3.426 -3.447 1.00 0.00 C ATOM 506 CD PRO A 35 10.775 2.479 -4.312 1.00 0.00 C ATOM 0 HA PRO A 35 13.003 3.360 -6.419 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.529 4.294 -3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.231 4.936 -4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.067 2.899 -2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.952 4.197 -3.004 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.438 1.615 -3.740 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.884 2.969 -4.704 1.00 0.00 H new ATOM 514 N ASN A 36 14.150 1.398 -4.004 1.00 0.00 N ATOM 515 CA ASN A 36 15.350 0.748 -3.495 1.00 0.00 C ATOM 516 C ASN A 36 14.945 -0.535 -2.762 1.00 0.00 C ATOM 517 O ASN A 36 13.760 -0.860 -2.639 1.00 0.00 O ATOM 518 CB ASN A 36 16.107 1.685 -2.530 1.00 0.00 C ATOM 519 CG ASN A 36 16.442 3.055 -3.088 1.00 0.00 C ATOM 520 OD1 ASN A 36 15.875 4.065 -2.670 1.00 0.00 O ATOM 521 ND2 ASN A 36 17.352 3.122 -4.035 1.00 0.00 N ATOM 0 H ASN A 36 13.336 1.265 -3.404 1.00 0.00 H new ATOM 0 HA ASN A 36 16.011 0.509 -4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.507 1.814 -1.629 1.00 0.00 H new ATOM 0 HB3 ASN A 36 17.034 1.197 -2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.602 4.024 -4.439 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.808 2.271 -4.365 1.00 0.00 H new ATOM 528 N VAL A 37 15.942 -1.262 -2.265 1.00 0.00 N ATOM 529 CA VAL A 37 15.788 -2.492 -1.508 1.00 0.00 C ATOM 530 C VAL A 37 15.389 -2.276 -0.048 1.00 0.00 C ATOM 531 O VAL A 37 16.188 -1.908 0.816 1.00 0.00 O ATOM 532 CB VAL A 37 16.928 -3.466 -1.801 1.00 0.00 C ATOM 533 CG1 VAL A 37 18.309 -2.885 -1.861 1.00 0.00 C ATOM 534 CG2 VAL A 37 16.984 -4.666 -0.860 1.00 0.00 C ATOM 0 H VAL A 37 16.919 -0.995 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 37 14.904 -3.016 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 37 16.651 -3.779 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 37 19.028 -3.676 -2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.353 -2.132 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.552 -2.424 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.821 -5.307 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.116 -4.319 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.055 -5.231 -0.935 1.00 0.00 H new ATOM 544 N LEU A 38 14.114 -2.565 0.196 1.00 0.00 N ATOM 545 CA LEU A 38 13.491 -2.815 1.486 1.00 0.00 C ATOM 546 C LEU A 38 14.237 -3.922 2.244 1.00 0.00 C ATOM 547 O LEU A 38 14.072 -5.104 1.940 1.00 0.00 O ATOM 548 CB LEU A 38 12.013 -3.190 1.264 1.00 0.00 C ATOM 549 CG LEU A 38 11.170 -2.169 0.478 1.00 0.00 C ATOM 550 CD1 LEU A 38 9.713 -2.631 0.404 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.230 -0.757 1.066 1.00 0.00 C ATOM 0 H LEU A 38 13.439 -2.635 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 38 13.542 -1.914 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.976 -4.144 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.547 -3.344 2.237 1.00 0.00 H new ATOM 0 HG LEU A 38 11.602 -2.119 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.128 -1.900 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.663 -3.597 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.310 -2.725 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.615 -0.086 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.856 -0.773 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.261 -0.405 1.062 1.00 0.00 H new ATOM 563 N LYS A 39 15.072 -3.572 3.224 1.00 0.00 N ATOM 564 CA LYS A 39 15.640 -4.560 4.145 1.00 0.00 C ATOM 565 C LYS A 39 14.600 -4.930 5.206 1.00 0.00 C ATOM 566 O LYS A 39 13.573 -4.258 5.354 1.00 0.00 O ATOM 567 CB LYS A 39 16.951 -4.025 4.755 1.00 0.00 C ATOM 568 CG LYS A 39 18.105 -4.033 3.734 1.00 0.00 C ATOM 569 CD LYS A 39 19.025 -2.805 3.790 1.00 0.00 C ATOM 570 CE LYS A 39 18.600 -1.745 2.764 1.00 0.00 C ATOM 571 NZ LYS A 39 19.665 -0.745 2.543 1.00 0.00 N ATOM 0 H LYS A 39 15.370 -2.613 3.401 1.00 0.00 H new ATOM 0 HA LYS A 39 15.894 -5.473 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.794 -3.009 5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.225 -4.633 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.707 -4.928 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.684 -4.108 2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.002 -2.375 4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.054 -3.109 3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.354 -2.230 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.696 -1.244 3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.344 -0.045 1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.882 -0.265 3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.520 -1.220 2.189 1.00 0.00 H new ATOM 585 N GLY A 40 14.891 -5.957 6.008 1.00 0.00 N ATOM 586 CA GLY A 40 13.988 -6.435 7.044 1.00 0.00 C ATOM 587 C GLY A 40 13.046 -7.507 6.507 1.00 0.00 C ATOM 588 O GLY A 40 13.315 -8.104 5.464 1.00 0.00 O ATOM 0 H GLY A 40 15.765 -6.479 5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.566 -6.839 7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.407 -5.600 7.436 1.00 0.00 H new ATOM 592 N ASN A 41 11.976 -7.788 7.257 1.00 0.00 N ATOM 593 CA ASN A 41 10.920 -8.745 6.904 1.00 0.00 C ATOM 594 C ASN A 41 9.534 -8.109 6.879 1.00 0.00 C ATOM 595 O ASN A 41 8.613 -8.678 6.291 1.00 0.00 O ATOM 596 CB ASN A 41 10.856 -9.892 7.922 1.00 0.00 C ATOM 597 CG ASN A 41 9.879 -10.982 7.480 1.00 0.00 C ATOM 598 OD1 ASN A 41 10.175 -11.769 6.589 1.00 0.00 O ATOM 599 ND2 ASN A 41 8.693 -11.057 8.071 1.00 0.00 N ATOM 0 H ASN A 41 11.815 -7.340 8.159 1.00 0.00 H new ATOM 0 HA ASN A 41 11.179 -9.106 5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.849 -10.322 8.049 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.551 -9.501 8.893 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.024 -11.772 7.784 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.450 -10.400 8.812 1.00 0.00 H new ATOM 606 N LYS A 42 9.314 -6.999 7.596 1.00 0.00 N ATOM 607 CA LYS A 42 7.976 -6.451 7.671 1.00 0.00 C ATOM 608 C LYS A 42 7.807 -5.588 6.427 1.00 0.00 C ATOM 609 O LYS A 42 8.791 -5.040 5.917 1.00 0.00 O ATOM 610 CB LYS A 42 7.745 -5.705 8.996 1.00 0.00 C ATOM 611 CG LYS A 42 7.632 -6.661 10.200 1.00 0.00 C ATOM 612 CD LYS A 42 8.953 -7.328 10.581 1.00 0.00 C ATOM 613 CE LYS A 42 9.039 -7.587 12.091 1.00 0.00 C ATOM 614 NZ LYS A 42 10.384 -8.035 12.508 1.00 0.00 N ATOM 0 H LYS A 42 10.027 -6.485 8.113 1.00 0.00 H new ATOM 0 HA LYS A 42 7.211 -7.227 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.566 -5.009 9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.834 -5.111 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.254 -6.106 11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.898 -7.434 9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.054 -8.271 10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.784 -6.694 10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.779 -6.675 12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.304 -8.342 12.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.393 -8.197 13.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.623 -8.919 12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.084 -7.304 12.267 1.00 0.00 H new ATOM 628 N LEU A 43 6.572 -5.420 5.970 1.00 0.00 N ATOM 629 CA LEU A 43 6.241 -4.575 4.833 1.00 0.00 C ATOM 630 C LEU A 43 5.185 -3.562 5.280 1.00 0.00 C ATOM 631 O LEU A 43 4.088 -3.941 5.702 1.00 0.00 O ATOM 632 CB LEU A 43 5.746 -5.461 3.678 1.00 0.00 C ATOM 633 CG LEU A 43 6.035 -4.946 2.262 1.00 0.00 C ATOM 634 CD1 LEU A 43 5.981 -3.429 2.115 1.00 0.00 C ATOM 635 CD2 LEU A 43 7.378 -5.423 1.714 1.00 0.00 C ATOM 0 H LEU A 43 5.760 -5.875 6.387 1.00 0.00 H new ATOM 0 HA LEU A 43 7.112 -4.026 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.198 -6.447 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.669 -5.591 3.783 1.00 0.00 H new ATOM 0 HG LEU A 43 5.220 -5.377 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.198 -3.156 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.987 -3.073 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.720 -2.973 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.523 -5.025 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.181 -5.073 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.390 -6.512 1.678 1.00 0.00 H new ATOM 647 N TYR A 44 5.507 -2.269 5.229 1.00 0.00 N ATOM 648 CA TYR A 44 4.593 -1.177 5.550 1.00 0.00 C ATOM 649 C TYR A 44 4.181 -0.486 4.250 1.00 0.00 C ATOM 650 O TYR A 44 5.015 -0.107 3.434 1.00 0.00 O ATOM 651 CB TYR A 44 5.232 -0.162 6.519 1.00 0.00 C ATOM 652 CG TYR A 44 5.750 -0.708 7.842 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.918 -1.502 8.652 1.00 0.00 C ATOM 654 CD2 TYR A 44 7.075 -0.452 8.254 1.00 0.00 C ATOM 655 CE1 TYR A 44 5.396 -2.016 9.870 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.572 -1.002 9.456 1.00 0.00 C ATOM 657 CZ TYR A 44 6.714 -1.748 10.296 1.00 0.00 C ATOM 658 OH TYR A 44 7.164 -2.245 11.483 1.00 0.00 O ATOM 0 H TYR A 44 6.435 -1.946 4.956 1.00 0.00 H new ATOM 0 HA TYR A 44 3.717 -1.588 6.052 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.061 0.324 6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.495 0.611 6.736 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.908 -1.718 8.337 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.714 0.170 7.645 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.748 -2.622 10.486 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.605 -0.853 9.733 1.00 0.00 H new ATOM 0 HH TYR A 44 8.093 -1.967 11.623 1.00 0.00 H new ATOM 668 N VAL A 45 2.879 -0.310 4.053 1.00 0.00 N ATOM 669 CA VAL A 45 2.301 0.315 2.865 1.00 0.00 C ATOM 670 C VAL A 45 1.376 1.449 3.314 1.00 0.00 C ATOM 671 O VAL A 45 0.859 1.367 4.431 1.00 0.00 O ATOM 672 CB VAL A 45 1.579 -0.777 2.051 1.00 0.00 C ATOM 673 CG1 VAL A 45 1.057 -0.204 0.752 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.518 -1.934 1.687 1.00 0.00 C ATOM 0 H VAL A 45 2.177 -0.605 4.732 1.00 0.00 H new ATOM 0 HA VAL A 45 3.059 0.757 2.218 1.00 0.00 H new ATOM 0 HB VAL A 45 0.767 -1.145 2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.549 -0.986 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.356 0.602 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.889 0.185 0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.969 -2.681 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.347 -1.555 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.906 -2.389 2.599 1.00 0.00 H new ATOM 684 N LYS A 46 1.153 2.463 2.463 1.00 0.00 N ATOM 685 CA LYS A 46 0.278 3.617 2.699 1.00 0.00 C ATOM 686 C LYS A 46 -0.585 3.858 1.454 1.00 0.00 C ATOM 687 O LYS A 46 -0.397 4.829 0.721 1.00 0.00 O ATOM 688 CB LYS A 46 1.156 4.836 3.027 1.00 0.00 C ATOM 689 CG LYS A 46 0.329 6.067 3.439 1.00 0.00 C ATOM 690 CD LYS A 46 0.687 7.335 2.661 1.00 0.00 C ATOM 691 CE LYS A 46 2.146 7.761 2.869 1.00 0.00 C ATOM 692 NZ LYS A 46 2.399 9.110 2.320 1.00 0.00 N ATOM 0 H LYS A 46 1.601 2.500 1.547 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.392 3.436 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.843 4.578 3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.764 5.086 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.729 5.848 3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.473 6.251 4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.509 7.168 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.028 8.146 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.381 7.750 3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.809 7.041 2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.394 9.368 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.197 9.113 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.784 9.800 2.797 1.00 0.00 H new ATOM 706 N ALA A 47 -1.495 2.931 1.166 1.00 0.00 N ATOM 707 CA ALA A 47 -2.233 2.920 -0.090 1.00 0.00 C ATOM 708 C ALA A 47 -3.366 3.951 -0.078 1.00 0.00 C ATOM 709 O ALA A 47 -4.209 3.958 0.819 1.00 0.00 O ATOM 710 CB ALA A 47 -2.739 1.504 -0.368 1.00 0.00 C ATOM 0 H ALA A 47 -1.740 2.168 1.797 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.567 3.210 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.292 1.493 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.892 0.822 -0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.395 1.186 0.443 1.00 0.00 H new ATOM 716 N ARG A 48 -3.416 4.801 -1.103 1.00 0.00 N ATOM 717 CA ARG A 48 -4.431 5.811 -1.306 1.00 0.00 C ATOM 718 C ARG A 48 -5.687 5.104 -1.790 1.00 0.00 C ATOM 719 O ARG A 48 -5.675 4.544 -2.890 1.00 0.00 O ATOM 720 CB ARG A 48 -3.922 6.811 -2.360 1.00 0.00 C ATOM 721 CG ARG A 48 -4.782 8.075 -2.429 1.00 0.00 C ATOM 722 CD ARG A 48 -4.222 9.165 -1.516 1.00 0.00 C ATOM 723 NE ARG A 48 -3.030 9.818 -2.090 1.00 0.00 N ATOM 724 CZ ARG A 48 -2.760 11.124 -2.023 1.00 0.00 C ATOM 725 NH1 ARG A 48 -3.492 11.913 -1.246 1.00 0.00 N ATOM 726 NH2 ARG A 48 -1.765 11.637 -2.737 1.00 0.00 N ATOM 0 H ARG A 48 -2.714 4.797 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.650 6.357 -0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.893 7.087 -2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.910 6.329 -3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.820 8.439 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.805 7.840 -2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.992 9.915 -1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.966 8.730 -0.550 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.358 9.224 -2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.260 11.522 -0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.286 12.911 -1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.205 11.033 -3.339 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.561 12.635 -2.684 1.00 0.00 H new ATOM 740 N PHE A 49 -6.768 5.165 -1.016 1.00 0.00 N ATOM 741 CA PHE A 49 -8.091 4.744 -1.458 1.00 0.00 C ATOM 742 C PHE A 49 -8.963 5.990 -1.499 1.00 0.00 C ATOM 743 O PHE A 49 -9.457 6.419 -0.448 1.00 0.00 O ATOM 744 CB PHE A 49 -8.682 3.685 -0.524 1.00 0.00 C ATOM 745 CG PHE A 49 -7.960 2.357 -0.505 1.00 0.00 C ATOM 746 CD1 PHE A 49 -6.843 2.198 0.322 1.00 0.00 C ATOM 747 CD2 PHE A 49 -8.416 1.267 -1.271 1.00 0.00 C ATOM 748 CE1 PHE A 49 -6.186 0.961 0.399 1.00 0.00 C ATOM 749 CE2 PHE A 49 -7.769 0.023 -1.179 1.00 0.00 C ATOM 750 CZ PHE A 49 -6.652 -0.128 -0.348 1.00 0.00 C ATOM 0 H PHE A 49 -6.748 5.511 -0.057 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.034 4.282 -2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.695 4.086 0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.719 3.511 -0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.484 3.033 0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.263 1.387 -1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.320 0.848 1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.134 -0.818 -1.750 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.151 -1.083 -0.283 1.00 0.00 H new ATOM 760 N MET A 50 -9.082 6.607 -2.677 1.00 0.00 N ATOM 761 CA MET A 50 -9.904 7.797 -2.866 1.00 0.00 C ATOM 762 C MET A 50 -11.322 7.306 -3.121 1.00 0.00 C ATOM 763 O MET A 50 -11.557 6.571 -4.082 1.00 0.00 O ATOM 764 CB MET A 50 -9.438 8.690 -4.031 1.00 0.00 C ATOM 765 CG MET A 50 -7.923 8.902 -4.155 1.00 0.00 C ATOM 766 SD MET A 50 -7.218 10.434 -3.488 1.00 0.00 S ATOM 767 CE MET A 50 -7.801 10.321 -1.790 1.00 0.00 C ATOM 0 H MET A 50 -8.610 6.293 -3.525 1.00 0.00 H new ATOM 0 HA MET A 50 -9.831 8.423 -1.976 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.801 8.256 -4.963 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.914 9.665 -3.927 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.428 8.065 -3.663 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.664 8.848 -5.212 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.239 11.015 -1.165 1.00 0.00 H new ATOM 0 HE2 MET A 50 -8.861 10.574 -1.751 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.657 9.305 -1.423 1.00 0.00 H new ATOM 777 N GLY A 51 -12.243 7.674 -2.241 1.00 0.00 N ATOM 778 CA GLY A 51 -13.613 7.178 -2.236 1.00 0.00 C ATOM 779 C GLY A 51 -13.784 5.950 -1.345 1.00 0.00 C ATOM 780 O GLY A 51 -12.817 5.279 -0.973 1.00 0.00 O ATOM 0 H GLY A 51 -12.054 8.341 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.281 7.968 -1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.910 6.929 -3.255 1.00 0.00 H new ATOM 784 N TYR A 52 -15.028 5.651 -0.972 1.00 0.00 N ATOM 785 CA TYR A 52 -15.393 4.575 -0.068 1.00 0.00 C ATOM 786 C TYR A 52 -15.004 3.205 -0.625 1.00 0.00 C ATOM 787 O TYR A 52 -15.500 2.764 -1.663 1.00 0.00 O ATOM 788 CB TYR A 52 -16.892 4.660 0.278 1.00 0.00 C ATOM 789 CG TYR A 52 -17.132 5.187 1.675 1.00 0.00 C ATOM 790 CD1 TYR A 52 -17.026 4.333 2.791 1.00 0.00 C ATOM 791 CD2 TYR A 52 -17.456 6.540 1.856 1.00 0.00 C ATOM 792 CE1 TYR A 52 -17.276 4.836 4.080 1.00 0.00 C ATOM 793 CE2 TYR A 52 -17.728 7.046 3.136 1.00 0.00 C ATOM 794 CZ TYR A 52 -17.646 6.192 4.253 1.00 0.00 C ATOM 795 OH TYR A 52 -17.905 6.703 5.486 1.00 0.00 O ATOM 0 H TYR A 52 -15.836 6.175 -1.307 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.827 4.696 0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.392 5.307 -0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.341 3.671 0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -16.754 3.297 2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.496 7.199 1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -17.186 4.188 4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -17.999 8.084 3.264 1.00 0.00 H new ATOM 0 HH TYR A 52 -18.142 7.651 5.404 1.00 0.00 H new ATOM 805 N THR A 53 -14.141 2.511 0.115 1.00 0.00 N ATOM 806 CA THR A 53 -14.146 1.065 0.195 1.00 0.00 C ATOM 807 C THR A 53 -13.675 0.688 1.597 1.00 0.00 C ATOM 808 O THR A 53 -12.829 1.374 2.188 1.00 0.00 O ATOM 809 CB THR A 53 -13.263 0.438 -0.905 1.00 0.00 C ATOM 810 OG1 THR A 53 -13.454 -0.958 -0.937 1.00 0.00 O ATOM 811 CG2 THR A 53 -11.765 0.678 -0.694 1.00 0.00 C ATOM 0 H THR A 53 -13.413 2.949 0.680 1.00 0.00 H new ATOM 0 HA THR A 53 -15.149 0.673 0.024 1.00 0.00 H new ATOM 0 HB THR A 53 -13.567 0.919 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.539 -1.255 -1.867 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.204 0.210 -1.503 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.566 1.750 -0.686 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.458 0.245 0.258 1.00 0.00 H new ATOM 819 N LYS A 54 -14.161 -0.458 2.069 1.00 0.00 N ATOM 820 CA LYS A 54 -13.567 -1.280 3.112 1.00 0.00 C ATOM 821 C LYS A 54 -13.534 -2.735 2.611 1.00 0.00 C ATOM 822 O LYS A 54 -13.784 -3.680 3.364 1.00 0.00 O ATOM 823 CB LYS A 54 -14.325 -1.071 4.441 1.00 0.00 C ATOM 824 CG LYS A 54 -14.021 0.295 5.097 1.00 0.00 C ATOM 825 CD LYS A 54 -13.683 0.198 6.589 1.00 0.00 C ATOM 826 CE LYS A 54 -14.927 -0.108 7.425 1.00 0.00 C ATOM 827 NZ LYS A 54 -14.614 -0.242 8.863 1.00 0.00 N ATOM 0 H LYS A 54 -15.029 -0.857 1.711 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.537 -0.993 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.397 -1.151 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.059 -1.869 5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.187 0.762 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.883 0.949 4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.937 -0.582 6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.239 1.135 6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.660 0.687 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.385 -1.030 7.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.486 -0.449 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.935 -1.017 9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.201 0.646 9.213 1.00 0.00 H new ATOM 841 N LEU A 55 -13.275 -2.924 1.309 1.00 0.00 N ATOM 842 CA LEU A 55 -13.285 -4.214 0.616 1.00 0.00 C ATOM 843 C LEU A 55 -11.917 -4.492 -0.008 1.00 0.00 C ATOM 844 O LEU A 55 -11.812 -4.897 -1.166 1.00 0.00 O ATOM 845 CB LEU A 55 -14.407 -4.272 -0.430 1.00 0.00 C ATOM 846 CG LEU A 55 -15.825 -4.107 0.149 1.00 0.00 C ATOM 847 CD1 LEU A 55 -16.440 -2.770 -0.280 1.00 0.00 C ATOM 848 CD2 LEU A 55 -16.722 -5.259 -0.300 1.00 0.00 C ATOM 0 H LEU A 55 -13.044 -2.149 0.688 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.487 -4.998 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.237 -3.491 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.350 -5.226 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.747 -4.120 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -17.441 -2.678 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.818 -1.951 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.499 -2.729 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.720 -5.127 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.783 -5.270 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.304 -6.203 0.050 1.00 0.00 H new ATOM 860 N THR A 56 -10.855 -4.212 0.741 1.00 0.00 N ATOM 861 CA THR A 56 -9.484 -4.505 0.356 1.00 0.00 C ATOM 862 C THR A 56 -9.274 -6.019 0.316 1.00 0.00 C ATOM 863 O THR A 56 -9.897 -6.745 1.099 1.00 0.00 O ATOM 864 CB THR A 56 -8.525 -3.852 1.376 1.00 0.00 C ATOM 865 OG1 THR A 56 -9.008 -2.605 1.853 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.162 -3.606 0.740 1.00 0.00 C ATOM 0 H THR A 56 -10.929 -3.764 1.654 1.00 0.00 H new ATOM 0 HA THR A 56 -9.280 -4.101 -0.636 1.00 0.00 H new ATOM 0 HB THR A 56 -8.450 -4.547 2.212 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.251 -2.026 2.081 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.497 -3.146 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.738 -4.554 0.410 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.275 -2.942 -0.117 1.00 0.00 H new ATOM 874 N VAL A 57 -8.326 -6.508 -0.489 1.00 0.00 N ATOM 875 CA VAL A 57 -7.803 -7.837 -0.328 1.00 0.00 C ATOM 876 C VAL A 57 -6.292 -7.579 -0.481 1.00 0.00 C ATOM 877 O VAL A 57 -5.853 -6.571 -1.049 1.00 0.00 O ATOM 878 CB VAL A 57 -8.326 -8.751 -1.456 1.00 0.00 C ATOM 879 CG1 VAL A 57 -7.480 -8.855 -2.699 1.00 0.00 C ATOM 880 CG2 VAL A 57 -8.744 -10.148 -1.034 1.00 0.00 C ATOM 0 H VAL A 57 -7.912 -5.985 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.078 -8.331 0.604 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.219 -8.184 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.960 -9.527 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.371 -7.868 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.496 -9.245 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.094 -10.702 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.892 -10.665 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.547 -10.081 -0.300 1.00 0.00 H new ATOM 890 N ILE A 58 -5.486 -8.545 -0.090 1.00 0.00 N ATOM 891 CA ILE A 58 -4.093 -8.683 -0.478 1.00 0.00 C ATOM 892 C ILE A 58 -3.990 -10.190 -0.631 1.00 0.00 C ATOM 893 O ILE A 58 -4.090 -10.863 0.384 1.00 0.00 O ATOM 894 CB ILE A 58 -3.134 -8.110 0.599 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.533 -6.678 1.029 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.698 -8.154 0.047 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.700 -6.084 2.162 1.00 0.00 C ATOM 0 H ILE A 58 -5.796 -9.289 0.535 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.808 -8.132 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.200 -8.722 1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.459 -6.022 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.579 -6.686 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.010 -7.754 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.427 -9.185 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.639 -7.554 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.058 -5.080 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.792 -6.711 3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.654 -6.036 1.858 1.00 0.00 H new ATOM 909 N THR A 59 -3.985 -10.721 -1.849 1.00 0.00 N ATOM 910 CA THR A 59 -4.011 -12.141 -2.193 1.00 0.00 C ATOM 911 C THR A 59 -2.880 -12.903 -1.459 1.00 0.00 C ATOM 912 O THR A 59 -3.147 -13.571 -0.459 1.00 0.00 O ATOM 913 CB THR A 59 -3.970 -12.201 -3.738 1.00 0.00 C ATOM 914 OG1 THR A 59 -4.918 -11.293 -4.298 1.00 0.00 O ATOM 915 CG2 THR A 59 -4.148 -13.583 -4.360 1.00 0.00 C ATOM 0 H THR A 59 -3.961 -10.131 -2.681 1.00 0.00 H new ATOM 0 HA THR A 59 -4.912 -12.654 -1.856 1.00 0.00 H new ATOM 0 HB THR A 59 -2.950 -11.910 -3.989 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.162 -11.590 -5.200 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.102 -13.502 -5.446 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.355 -14.244 -4.011 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.115 -13.992 -4.068 1.00 0.00 H new ATOM 923 N GLY A 60 -1.634 -12.753 -1.913 1.00 0.00 N ATOM 924 CA GLY A 60 -0.389 -13.369 -1.437 1.00 0.00 C ATOM 925 C GLY A 60 -0.169 -14.748 -2.064 1.00 0.00 C ATOM 926 O GLY A 60 -1.001 -15.218 -2.848 1.00 0.00 O ATOM 0 H GLY A 60 -1.451 -12.135 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.454 -12.721 -1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.420 -13.463 -0.351 1.00 0.00 H new ATOM 930 N LYS A 61 0.970 -15.384 -1.763 1.00 0.00 N ATOM 931 CA LYS A 61 1.384 -16.650 -2.384 1.00 0.00 C ATOM 932 C LYS A 61 0.358 -17.755 -2.150 1.00 0.00 C ATOM 933 O LYS A 61 0.055 -18.550 -3.038 1.00 0.00 O ATOM 934 CB LYS A 61 2.784 -17.074 -1.898 1.00 0.00 C ATOM 935 CG LYS A 61 2.881 -17.470 -0.411 1.00 0.00 C ATOM 936 CD LYS A 61 4.285 -17.892 0.040 1.00 0.00 C ATOM 937 CE LYS A 61 5.358 -16.824 -0.176 1.00 0.00 C ATOM 938 NZ LYS A 61 6.675 -17.200 0.377 1.00 0.00 N ATOM 0 H LYS A 61 1.636 -15.032 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 61 1.439 -16.484 -3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.119 -17.917 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.477 -16.253 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.554 -16.628 0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.189 -18.290 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.253 -18.150 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.572 -18.795 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.461 -16.633 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.031 -15.892 0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.426 -16.717 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.725 -16.919 1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.803 -18.229 0.300 1.00 0.00 H new ATOM 952 N ASP A 62 -0.230 -17.714 -0.963 1.00 0.00 N ATOM 953 CA ASP A 62 -1.219 -18.640 -0.450 1.00 0.00 C ATOM 954 C ASP A 62 -2.539 -18.532 -1.220 1.00 0.00 C ATOM 955 O ASP A 62 -3.376 -19.427 -1.179 1.00 0.00 O ATOM 956 CB ASP A 62 -1.410 -18.258 1.015 1.00 0.00 C ATOM 957 CG ASP A 62 -1.759 -19.380 1.974 1.00 0.00 C ATOM 958 OD1 ASP A 62 -1.980 -20.538 1.567 1.00 0.00 O ATOM 959 OD2 ASP A 62 -1.758 -19.068 3.186 1.00 0.00 O ATOM 0 H ASP A 62 -0.010 -16.980 -0.289 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.892 -19.674 -0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.493 -17.785 1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.198 -17.506 1.070 1.00 0.00 H new ATOM 964 N GLY A 63 -2.735 -17.427 -1.956 1.00 0.00 N ATOM 965 CA GLY A 63 -3.874 -17.256 -2.843 1.00 0.00 C ATOM 966 C GLY A 63 -5.194 -17.073 -2.101 1.00 0.00 C ATOM 967 O GLY A 63 -6.261 -17.151 -2.723 1.00 0.00 O ATOM 0 H GLY A 63 -2.100 -16.629 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.701 -16.390 -3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.950 -18.125 -3.497 1.00 0.00 H new ATOM 971 N LYS A 64 -5.159 -16.803 -0.792 1.00 0.00 N ATOM 972 CA LYS A 64 -6.325 -16.888 0.086 1.00 0.00 C ATOM 973 C LYS A 64 -6.442 -15.699 1.024 1.00 0.00 C ATOM 974 O LYS A 64 -6.764 -15.864 2.198 1.00 0.00 O ATOM 975 CB LYS A 64 -6.454 -18.232 0.754 1.00 0.00 C ATOM 976 CG LYS A 64 -5.324 -18.656 1.673 1.00 0.00 C ATOM 977 CD LYS A 64 -5.511 -20.141 2.004 1.00 0.00 C ATOM 978 CE LYS A 64 -6.355 -20.486 3.251 1.00 0.00 C ATOM 979 NZ LYS A 64 -7.737 -19.947 3.222 1.00 0.00 N ATOM 0 H LYS A 64 -4.308 -16.516 -0.309 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.205 -16.817 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.379 -18.236 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.560 -18.988 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.360 -18.492 1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.331 -18.059 2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.970 -20.624 1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.524 -20.586 2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.403 -21.570 3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.847 -20.103 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.296 -20.384 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.711 -18.917 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.174 -20.162 2.303 1.00 0.00 H new ATOM 993 N ASN A 65 -6.165 -14.519 0.469 1.00 0.00 N ATOM 994 CA ASN A 65 -6.128 -13.201 1.080 1.00 0.00 C ATOM 995 C ASN A 65 -5.348 -13.169 2.408 1.00 0.00 C ATOM 996 O ASN A 65 -5.816 -13.615 3.443 1.00 0.00 O ATOM 997 CB ASN A 65 -7.549 -12.610 1.122 1.00 0.00 C ATOM 998 CG ASN A 65 -7.705 -11.263 1.820 1.00 0.00 C ATOM 999 OD1 ASN A 65 -8.734 -10.925 2.370 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -6.708 -10.412 1.792 1.00 0.00 N ATOM 0 H ASN A 65 -5.938 -14.463 -0.524 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.538 -12.531 0.454 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.906 -12.507 0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.203 -13.328 1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.809 -9.494 2.225 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.832 -10.668 1.337 1.00 0.00 H new ATOM 1007 N LEU A 66 -4.134 -12.616 2.409 1.00 0.00 N ATOM 1008 CA LEU A 66 -3.290 -12.421 3.598 1.00 0.00 C ATOM 1009 C LEU A 66 -4.036 -11.761 4.759 1.00 0.00 C ATOM 1010 O LEU A 66 -3.794 -12.116 5.914 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.051 -11.568 3.255 1.00 0.00 C ATOM 1012 CG LEU A 66 -1.125 -12.170 2.185 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.083 -11.268 1.938 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.632 -13.549 2.604 1.00 0.00 C ATOM 0 H LEU A 66 -3.692 -12.278 1.554 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.987 -13.419 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.386 -10.588 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.474 -11.409 4.166 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.706 -12.257 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.722 -11.716 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.257 -10.290 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.647 -11.153 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.021 -13.953 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.079 -13.469 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.485 -14.214 2.742 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.944 -10.823 4.463 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.809 -10.207 5.454 1.00 0.00 C ATOM 1028 C LEU A 67 -6.744 -11.250 6.066 1.00 0.00 C ATOM 1029 O LEU A 67 -6.985 -11.228 7.267 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.663 -9.083 4.838 1.00 0.00 C ATOM 1031 CG LEU A 67 -5.950 -7.942 4.094 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -6.990 -7.033 3.421 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -5.101 -7.088 5.031 1.00 0.00 C ATOM 0 H LEU A 67 -5.094 -10.473 3.517 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.165 -9.782 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.365 -9.544 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.253 -8.638 5.639 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.295 -8.401 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.481 -6.225 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.577 -7.615 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.650 -6.612 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.616 -6.295 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.737 -6.647 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.342 -7.711 5.504 1.00 0.00 H new ATOM 1045 N TYR A 68 -7.292 -12.134 5.232 1.00 0.00 N ATOM 1046 CA TYR A 68 -8.274 -13.138 5.591 1.00 0.00 C ATOM 1047 C TYR A 68 -7.685 -14.220 6.496 1.00 0.00 C ATOM 1048 O TYR A 68 -8.402 -14.766 7.333 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.830 -13.745 4.294 1.00 0.00 C ATOM 1050 CG TYR A 68 -10.052 -14.637 4.445 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -11.076 -14.321 5.359 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -10.153 -15.818 3.682 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -12.163 -15.190 5.541 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -11.259 -16.675 3.832 1.00 0.00 C ATOM 1055 CZ TYR A 68 -12.263 -16.374 4.781 1.00 0.00 C ATOM 1056 OH TYR A 68 -13.336 -17.201 4.929 1.00 0.00 O ATOM 0 H TYR A 68 -7.047 -12.165 4.242 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.075 -12.669 6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.081 -12.931 3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.038 -14.325 3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.024 -13.402 5.925 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.375 -16.067 2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.927 -14.951 6.266 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.341 -17.563 3.222 1.00 0.00 H new ATOM 0 HH TYR A 68 -13.243 -17.969 4.327 1.00 0.00 H new ATOM 1066 N ASN A 69 -6.394 -14.539 6.352 1.00 0.00 N ATOM 1067 CA ASN A 69 -5.679 -15.312 7.368 1.00 0.00 C ATOM 1068 C ASN A 69 -5.468 -14.408 8.578 1.00 0.00 C ATOM 1069 O ASN A 69 -6.117 -14.607 9.607 1.00 0.00 O ATOM 1070 CB ASN A 69 -4.355 -15.900 6.845 1.00 0.00 C ATOM 1071 CG ASN A 69 -4.498 -17.317 6.292 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -5.519 -17.986 6.451 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -3.494 -17.810 5.604 1.00 0.00 N ATOM 0 H ASN A 69 -5.827 -14.275 5.546 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.276 -16.179 7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.961 -15.251 6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.624 -15.905 7.653 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.561 -18.745 5.203 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.647 -17.258 5.471 1.00 0.00 H new ATOM 1080 N GLY A 70 -4.621 -13.380 8.447 1.00 0.00 N ATOM 1081 CA GLY A 70 -4.452 -12.372 9.484 1.00 0.00 C ATOM 1082 C GLY A 70 -3.027 -11.883 9.698 1.00 0.00 C ATOM 1083 O GLY A 70 -2.840 -11.084 10.614 1.00 0.00 O ATOM 0 H GLY A 70 -4.040 -13.230 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.078 -11.515 9.238 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.823 -12.778 10.425 1.00 0.00 H new ATOM 1087 N THR A 71 -2.032 -12.339 8.927 1.00 0.00 N ATOM 1088 CA THR A 71 -0.683 -11.783 9.028 1.00 0.00 C ATOM 1089 C THR A 71 -0.751 -10.293 8.699 1.00 0.00 C ATOM 1090 O THR A 71 -0.328 -9.448 9.482 1.00 0.00 O ATOM 1091 CB THR A 71 0.297 -12.484 8.065 1.00 0.00 C ATOM 1092 OG1 THR A 71 -0.096 -13.798 7.740 1.00 0.00 O ATOM 1093 CG2 THR A 71 1.718 -12.485 8.631 1.00 0.00 C ATOM 0 H THR A 71 -2.136 -13.082 8.236 1.00 0.00 H new ATOM 0 HA THR A 71 -0.313 -11.940 10.041 1.00 0.00 H new ATOM 0 HB THR A 71 0.279 -11.905 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.559 -14.193 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.388 -12.985 7.932 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.051 -11.458 8.780 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.729 -13.012 9.585 1.00 0.00 H new ATOM 1101 N ALA A 72 -1.313 -9.990 7.523 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.572 -8.633 7.113 1.00 0.00 C ATOM 1103 C ALA A 72 -2.832 -8.158 7.802 1.00 0.00 C ATOM 1104 O ALA A 72 -3.838 -8.867 7.901 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.693 -8.569 5.589 1.00 0.00 C ATOM 0 H ALA A 72 -1.596 -10.691 6.838 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.751 -7.976 7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.889 -7.542 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.763 -8.912 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.513 -9.208 5.262 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.781 -6.910 8.237 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.865 -6.285 8.950 1.00 0.00 C ATOM 1113 C LYS A 73 -3.844 -4.813 8.629 1.00 0.00 C ATOM 1114 O LYS A 73 -2.772 -4.213 8.508 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.658 -6.597 10.434 1.00 0.00 C ATOM 1116 CG LYS A 73 -4.665 -5.929 11.368 1.00 0.00 C ATOM 1117 CD LYS A 73 -5.326 -6.957 12.298 1.00 0.00 C ATOM 1118 CE LYS A 73 -6.280 -6.315 13.311 1.00 0.00 C ATOM 1119 NZ LYS A 73 -7.179 -7.322 13.910 1.00 0.00 N ATOM 0 H LYS A 73 -1.974 -6.302 8.100 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.850 -6.655 8.665 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.710 -7.676 10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.654 -6.286 10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.163 -5.166 11.963 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.430 -5.422 10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.875 -7.683 11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.552 -7.507 12.833 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.705 -5.824 14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.871 -5.543 12.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.814 -6.859 14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.744 -7.772 13.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.614 -8.045 14.399 1.00 0.00 H new ATOM 1133 N MET A 74 -5.031 -4.238 8.480 1.00 0.00 N ATOM 1134 CA MET A 74 -5.193 -2.813 8.590 1.00 0.00 C ATOM 1135 C MET A 74 -5.045 -2.496 10.077 1.00 0.00 C ATOM 1136 O MET A 74 -5.849 -2.988 10.881 1.00 0.00 O ATOM 1137 CB MET A 74 -6.578 -2.403 8.078 1.00 0.00 C ATOM 1138 CG MET A 74 -6.565 -0.911 7.794 1.00 0.00 C ATOM 1139 SD MET A 74 -6.642 0.080 9.298 1.00 0.00 S ATOM 1140 CE MET A 74 -8.394 -0.204 9.529 1.00 0.00 C ATOM 0 H MET A 74 -5.892 -4.748 8.282 1.00 0.00 H new ATOM 0 HA MET A 74 -4.460 -2.268 7.995 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.827 -2.958 7.174 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.341 -2.641 8.819 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.660 -0.658 7.242 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.410 -0.659 7.153 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.893 0.744 9.728 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.812 -0.652 8.627 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.545 -0.878 10.372 1.00 0.00 H new ATOM 1150 N PHE A 75 -4.032 -1.715 10.450 1.00 0.00 N ATOM 1151 CA PHE A 75 -3.745 -1.407 11.849 1.00 0.00 C ATOM 1152 C PHE A 75 -3.756 0.091 12.156 1.00 0.00 C ATOM 1153 O PHE A 75 -3.746 0.447 13.333 1.00 0.00 O ATOM 1154 CB PHE A 75 -2.432 -2.079 12.269 1.00 0.00 C ATOM 1155 CG PHE A 75 -1.165 -1.456 11.709 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.767 -1.708 10.381 1.00 0.00 C ATOM 1157 CD2 PHE A 75 -0.352 -0.667 12.544 1.00 0.00 C ATOM 1158 CE1 PHE A 75 0.451 -1.195 9.903 1.00 0.00 C ATOM 1159 CE2 PHE A 75 0.873 -0.172 12.067 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.282 -0.451 10.754 1.00 0.00 C ATOM 0 H PHE A 75 -3.388 -1.278 9.791 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.556 -1.818 12.450 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.371 -2.067 13.357 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.466 -3.125 11.964 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.398 -2.295 9.730 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.670 -0.442 13.551 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.747 -1.374 8.880 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.501 0.424 12.712 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.237 -0.093 10.398 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.845 0.973 11.156 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.704 2.423 11.287 1.00 0.00 C ATOM 1172 C LYS A 76 -4.441 3.007 10.084 1.00 0.00 C ATOM 1173 O LYS A 76 -4.281 2.475 8.986 1.00 0.00 O ATOM 1174 CB LYS A 76 -2.190 2.721 11.291 1.00 0.00 C ATOM 1175 CG LYS A 76 -1.760 4.191 11.165 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.243 4.243 10.905 1.00 0.00 C ATOM 1177 CE LYS A 76 0.278 5.641 10.554 1.00 0.00 C ATOM 1178 NZ LYS A 76 0.477 6.497 11.736 1.00 0.00 N ATOM 0 H LYS A 76 -4.025 0.683 10.195 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.122 2.855 12.196 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.771 2.325 12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.735 2.165 10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.299 4.674 10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.006 4.736 12.077 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.280 3.882 11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.000 3.560 10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.223 5.546 10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.426 6.125 9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.830 7.428 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.427 6.614 12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.169 6.054 12.373 1.00 0.00 H new ATOM 1192 N SER A 77 -5.286 4.023 10.243 1.00 0.00 N ATOM 1193 CA SER A 77 -6.160 4.533 9.186 1.00 0.00 C ATOM 1194 C SER A 77 -6.381 6.029 9.414 1.00 0.00 C ATOM 1195 O SER A 77 -7.065 6.387 10.375 1.00 0.00 O ATOM 1196 CB SER A 77 -7.488 3.754 9.187 1.00 0.00 C ATOM 1197 OG SER A 77 -8.033 3.554 10.487 1.00 0.00 O ATOM 0 H SER A 77 -5.385 4.525 11.125 1.00 0.00 H new ATOM 0 HA SER A 77 -5.700 4.394 8.208 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.214 4.291 8.577 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.330 2.784 8.716 1.00 0.00 H new ATOM 0 HG SER A 77 -7.981 4.390 10.996 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.826 6.909 8.581 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.923 8.360 8.767 1.00 0.00 C ATOM 1205 C ASP A 78 -6.835 8.928 7.696 1.00 0.00 C ATOM 1206 O ASP A 78 -7.104 8.276 6.685 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.538 9.022 8.665 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.409 10.235 9.585 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.321 11.086 9.599 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -3.372 10.363 10.273 1.00 0.00 O ATOM 0 H ASP A 78 -5.294 6.636 7.754 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.326 8.564 9.759 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.769 8.292 8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.359 9.329 7.635 1.00 0.00 H new ATOM 1215 N ALA A 79 -7.312 10.144 7.910 1.00 0.00 N ATOM 1216 CA ALA A 79 -8.061 10.896 6.932 1.00 0.00 C ATOM 1217 C ALA A 79 -7.100 11.526 5.928 1.00 0.00 C ATOM 1218 O ALA A 79 -5.951 11.849 6.244 1.00 0.00 O ATOM 1219 CB ALA A 79 -8.865 11.957 7.685 1.00 0.00 C ATOM 0 H ALA A 79 -7.183 10.642 8.791 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.742 10.256 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.445 12.546 6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.540 11.470 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.184 12.612 8.229 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.607 11.766 4.725 1.00 0.00 N ATOM 1226 CA ILE A 80 -6.977 12.607 3.724 1.00 0.00 C ATOM 1227 C ILE A 80 -7.955 13.749 3.528 1.00 0.00 C ATOM 1228 O ILE A 80 -8.952 13.593 2.818 1.00 0.00 O ATOM 1229 CB ILE A 80 -6.697 11.843 2.419 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -5.951 10.522 2.692 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -5.914 12.751 1.449 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -5.694 9.732 1.413 1.00 0.00 C ATOM 0 H ILE A 80 -8.493 11.368 4.414 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.995 12.961 4.039 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.646 11.575 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.001 10.737 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.534 9.913 3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.715 12.210 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.503 13.642 1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.970 13.044 1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.166 8.809 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.644 9.492 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.087 10.329 0.732 1.00 0.00 H new ATOM 1244 N LEU A 81 -7.701 14.866 4.204 1.00 0.00 N ATOM 1245 CA LEU A 81 -8.425 16.090 3.913 1.00 0.00 C ATOM 1246 C LEU A 81 -7.850 16.644 2.617 1.00 0.00 C ATOM 1247 O LEU A 81 -6.630 16.650 2.441 1.00 0.00 O ATOM 1248 CB LEU A 81 -8.315 17.127 5.039 1.00 0.00 C ATOM 1249 CG LEU A 81 -8.752 16.644 6.437 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -8.985 17.865 7.331 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -10.028 15.791 6.430 1.00 0.00 C ATOM 0 H LEU A 81 -7.007 14.945 4.947 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.488 15.870 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.280 17.464 5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.918 17.994 4.770 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.950 16.008 6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.295 17.536 8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.062 18.439 7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.765 18.491 6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.270 15.490 7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.852 16.373 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.869 14.903 5.818 1.00 0.00 H new ATOM 1263 N GLY A 82 -8.707 17.117 1.718 1.00 0.00 N ATOM 1264 CA GLY A 82 -8.315 17.907 0.561 1.00 0.00 C ATOM 1265 C GLY A 82 -7.996 19.333 1.006 1.00 0.00 C ATOM 1266 O GLY A 82 -7.303 19.541 1.999 1.00 0.00 O ATOM 0 H GLY A 82 -9.713 16.958 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.445 17.461 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.117 17.915 -0.177 1.00 0.00 H new ATOM 1270 N GLN A 83 -8.529 20.321 0.290 1.00 0.00 N ATOM 1271 CA GLN A 83 -8.314 21.745 0.539 1.00 0.00 C ATOM 1272 C GLN A 83 -9.593 22.454 1.027 1.00 0.00 C ATOM 1273 O GLN A 83 -9.606 23.676 1.173 1.00 0.00 O ATOM 1274 CB GLN A 83 -7.662 22.405 -0.697 1.00 0.00 C ATOM 1275 CG GLN A 83 -8.504 22.436 -1.989 1.00 0.00 C ATOM 1276 CD GLN A 83 -8.337 21.223 -2.913 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -8.364 20.064 -2.493 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -8.239 21.450 -4.208 1.00 0.00 N ATOM 0 H GLN A 83 -9.143 20.147 -0.506 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.612 21.856 1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.400 23.430 -0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.730 21.882 -0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.556 22.521 -1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.247 23.336 -2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.217 22.408 -4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.186 20.668 -4.860 1.00 0.00 H new ATOM 1287 N ASN A 84 -10.677 21.704 1.267 1.00 0.00 N ATOM 1288 CA ASN A 84 -11.942 22.196 1.828 1.00 0.00 C ATOM 1289 C ASN A 84 -12.467 21.193 2.870 1.00 0.00 C ATOM 1290 O ASN A 84 -13.650 20.841 2.858 1.00 0.00 O ATOM 1291 CB ASN A 84 -12.998 22.453 0.730 1.00 0.00 C ATOM 1292 CG ASN A 84 -12.571 23.457 -0.328 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -12.713 24.659 -0.158 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -12.084 22.992 -1.466 1.00 0.00 N ATOM 0 H ASN A 84 -10.698 20.704 1.069 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.751 23.153 2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.235 21.508 0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -13.915 22.807 1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.823 23.638 -2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.969 21.987 -1.599 1.00 0.00 H new ATOM 1301 N LYS A 85 -11.577 20.645 3.711 1.00 0.00 N ATOM 1302 CA LYS A 85 -11.827 19.606 4.729 1.00 0.00 C ATOM 1303 C LYS A 85 -12.437 18.315 4.166 1.00 0.00 C ATOM 1304 O LYS A 85 -12.904 17.461 4.913 1.00 0.00 O ATOM 1305 CB LYS A 85 -12.654 20.170 5.899 1.00 0.00 C ATOM 1306 CG LYS A 85 -11.985 21.390 6.559 1.00 0.00 C ATOM 1307 CD LYS A 85 -12.792 22.002 7.709 1.00 0.00 C ATOM 1308 CE LYS A 85 -14.179 22.415 7.206 1.00 0.00 C ATOM 1309 NZ LYS A 85 -14.973 23.140 8.212 1.00 0.00 N ATOM 0 H LYS A 85 -10.598 20.933 3.700 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.848 19.313 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.643 20.453 5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.799 19.390 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.005 21.094 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.818 22.154 5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.889 21.282 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.268 22.869 8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -14.065 23.043 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.725 21.524 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.899 23.390 7.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.111 22.536 9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.471 24.007 8.491 1.00 0.00 H new ATOM 1323 N VAL A 86 -12.434 18.163 2.845 1.00 0.00 N ATOM 1324 CA VAL A 86 -13.057 17.068 2.125 1.00 0.00 C ATOM 1325 C VAL A 86 -12.287 15.802 2.469 1.00 0.00 C ATOM 1326 O VAL A 86 -11.120 15.719 2.093 1.00 0.00 O ATOM 1327 CB VAL A 86 -13.026 17.331 0.600 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -14.068 16.461 -0.113 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -13.230 18.802 0.231 1.00 0.00 C ATOM 0 H VAL A 86 -11.976 18.831 2.225 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.103 16.967 2.413 1.00 0.00 H new ATOM 0 HB VAL A 86 -12.025 17.062 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -14.034 16.657 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -13.850 15.409 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -15.062 16.698 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -13.197 18.913 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.198 19.139 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.440 19.403 0.682 1.00 0.00 H new ATOM 1339 N VAL A 87 -12.893 14.835 3.157 1.00 0.00 N ATOM 1340 CA VAL A 87 -12.309 13.510 3.325 1.00 0.00 C ATOM 1341 C VAL A 87 -12.353 12.819 1.952 1.00 0.00 C ATOM 1342 O VAL A 87 -13.298 12.086 1.642 1.00 0.00 O ATOM 1343 CB VAL A 87 -13.035 12.731 4.441 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -12.325 11.403 4.723 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -13.092 13.512 5.763 1.00 0.00 C ATOM 0 H VAL A 87 -13.799 14.950 3.611 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.271 13.562 3.653 1.00 0.00 H new ATOM 0 HB VAL A 87 -14.049 12.565 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.853 10.869 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -12.316 10.796 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -11.300 11.598 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.613 12.918 6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.079 13.722 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -13.625 14.450 5.609 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.373 13.094 1.090 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.295 12.535 -0.261 1.00 0.00 C ATOM 1357 C ILE A 88 -10.935 11.050 -0.228 1.00 0.00 C ATOM 1358 O ILE A 88 -11.253 10.308 -1.155 1.00 0.00 O ATOM 1359 CB ILE A 88 -10.311 13.338 -1.142 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -8.911 13.537 -0.516 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -10.945 14.698 -1.449 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -7.863 14.029 -1.524 1.00 0.00 C ATOM 0 H ILE A 88 -10.600 13.720 1.314 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.283 12.620 -0.713 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.141 12.756 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.984 14.254 0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.576 12.594 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -10.267 15.283 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.886 14.549 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.133 15.230 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.903 14.149 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.763 13.301 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.178 14.987 -1.938 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.288 10.603 0.842 1.00 0.00 N ATOM 1375 CA GLY A 89 -9.917 9.220 1.033 1.00 0.00 C ATOM 1376 C GLY A 89 -9.377 9.033 2.433 1.00 0.00 C ATOM 1377 O GLY A 89 -9.418 9.949 3.262 1.00 0.00 O ATOM 0 H GLY A 89 -10.005 11.209 1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.782 8.575 0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.165 8.929 0.300 1.00 0.00 H new ATOM 1381 N TRP A 90 -8.844 7.842 2.663 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.087 7.494 3.847 1.00 0.00 C ATOM 1383 C TRP A 90 -6.828 6.804 3.336 1.00 0.00 C ATOM 1384 O TRP A 90 -6.885 6.085 2.332 1.00 0.00 O ATOM 1385 CB TRP A 90 -8.936 6.618 4.772 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.232 7.230 5.192 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.430 8.042 6.252 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.505 7.169 4.492 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -11.740 8.485 6.257 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.449 7.968 5.192 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -11.927 6.554 3.298 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -13.763 8.138 4.733 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.244 6.708 2.829 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.164 7.494 3.547 1.00 0.00 C ATOM 0 H TRP A 90 -8.932 7.068 2.005 1.00 0.00 H new ATOM 0 HA TRP A 90 -7.810 8.358 4.451 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.142 5.674 4.268 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.354 6.384 5.663 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -9.681 8.305 6.984 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.132 9.114 6.958 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.228 5.954 2.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.459 8.755 5.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.550 6.221 1.915 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.177 7.603 3.189 1.00 0.00 H new ATOM 1405 N ASP A 91 -5.693 7.067 3.974 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.367 6.768 3.421 1.00 0.00 C ATOM 1407 C ASP A 91 -3.902 5.414 3.965 1.00 0.00 C ATOM 1408 O ASP A 91 -2.971 5.303 4.764 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.403 7.949 3.677 1.00 0.00 C ATOM 1410 CG ASP A 91 -2.679 8.501 2.439 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -2.657 7.840 1.383 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -2.148 9.638 2.537 1.00 0.00 O ATOM 0 H ASP A 91 -5.662 7.498 4.898 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.396 6.667 2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.967 8.761 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.653 7.631 4.402 1.00 0.00 H new ATOM 1417 N LYS A 92 -4.705 4.398 3.668 1.00 0.00 N ATOM 1418 CA LYS A 92 -4.808 3.156 4.432 1.00 0.00 C ATOM 1419 C LYS A 92 -3.439 2.498 4.614 1.00 0.00 C ATOM 1420 O LYS A 92 -2.789 2.119 3.634 1.00 0.00 O ATOM 1421 CB LYS A 92 -5.724 2.128 3.734 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.230 2.019 4.040 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.075 3.283 3.872 1.00 0.00 C ATOM 1424 CE LYS A 92 -9.582 2.966 4.030 1.00 0.00 C ATOM 1425 NZ LYS A 92 -10.242 2.473 2.792 1.00 0.00 N ATOM 0 H LYS A 92 -5.326 4.416 2.859 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.228 3.434 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.636 2.309 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.294 1.145 3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.649 1.245 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.341 1.674 5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.776 4.026 4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.892 3.719 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.703 2.218 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.096 3.866 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.195 2.126 3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.312 3.249 2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.681 1.698 2.384 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.055 2.277 5.869 1.00 0.00 N ATOM 1440 CA TYR A 93 -1.858 1.547 6.221 1.00 0.00 C ATOM 1441 C TYR A 93 -2.201 0.072 6.412 1.00 0.00 C ATOM 1442 O TYR A 93 -3.259 -0.254 6.964 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.248 2.140 7.492 1.00 0.00 C ATOM 1444 CG TYR A 93 -0.891 3.611 7.391 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -1.859 4.593 7.673 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.415 4.004 7.046 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.508 5.953 7.665 1.00 0.00 C ATOM 1448 CE2 TYR A 93 0.758 5.366 6.976 1.00 0.00 C ATOM 1449 CZ TYR A 93 -0.213 6.350 7.264 1.00 0.00 C ATOM 1450 OH TYR A 93 0.101 7.671 7.156 1.00 0.00 O ATOM 0 H TYR A 93 -3.581 2.609 6.677 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.123 1.630 5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.951 2.005 8.314 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.349 1.578 7.745 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.874 4.300 7.896 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.161 3.253 6.833 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.230 6.697 7.966 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.761 5.659 6.703 1.00 0.00 H new ATOM 0 HH TYR A 93 1.034 7.763 6.870 1.00 0.00 H new ATOM 1460 N PHE A 94 -1.291 -0.813 5.998 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.366 -2.261 6.174 1.00 0.00 C ATOM 1462 C PHE A 94 0.004 -2.795 6.588 1.00 0.00 C ATOM 1463 O PHE A 94 1.011 -2.207 6.176 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.789 -2.922 4.855 1.00 0.00 C ATOM 1465 CG PHE A 94 -3.257 -2.736 4.525 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -4.209 -3.597 5.104 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -3.679 -1.704 3.667 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -5.576 -3.440 4.818 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -5.048 -1.546 3.386 1.00 0.00 C ATOM 1470 CZ PHE A 94 -5.997 -2.401 3.972 1.00 0.00 C ATOM 0 H PHE A 94 -0.444 -0.524 5.509 1.00 0.00 H new ATOM 0 HA PHE A 94 -2.099 -2.491 6.947 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.188 -2.511 4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.569 -3.988 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.887 -4.382 5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.954 -1.036 3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.300 -4.116 5.247 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.372 -0.763 2.716 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.049 -2.259 3.772 1.00 0.00 H new ATOM 1480 N GLU A 95 0.044 -3.900 7.345 1.00 0.00 N ATOM 1481 CA GLU A 95 1.292 -4.556 7.757 1.00 0.00 C ATOM 1482 C GLU A 95 1.468 -5.914 7.084 1.00 0.00 C ATOM 1483 O GLU A 95 1.118 -6.930 7.668 1.00 0.00 O ATOM 1484 CB GLU A 95 1.309 -4.737 9.278 1.00 0.00 C ATOM 1485 CG GLU A 95 2.759 -4.982 9.731 1.00 0.00 C ATOM 1486 CD GLU A 95 2.962 -4.870 11.236 1.00 0.00 C ATOM 1487 OE1 GLU A 95 1.974 -4.817 12.000 1.00 0.00 O ATOM 1488 OE2 GLU A 95 4.130 -4.777 11.672 1.00 0.00 O ATOM 0 H GLU A 95 -0.794 -4.367 7.691 1.00 0.00 H new ATOM 0 HA GLU A 95 2.117 -3.915 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.905 -3.851 9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.677 -5.577 9.565 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.068 -5.975 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.411 -4.265 9.232 1.00 0.00 H new ATOM 1495 N ILE A 96 1.946 -5.967 5.848 1.00 0.00 N ATOM 1496 CA ILE A 96 2.030 -7.246 5.158 1.00 0.00 C ATOM 1497 C ILE A 96 3.325 -7.949 5.624 1.00 0.00 C ATOM 1498 O ILE A 96 4.343 -7.275 5.804 1.00 0.00 O ATOM 1499 CB ILE A 96 1.898 -7.071 3.621 1.00 0.00 C ATOM 1500 CG1 ILE A 96 0.814 -6.046 3.202 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.473 -8.392 2.964 1.00 0.00 C ATOM 1502 CD1 ILE A 96 1.320 -4.610 3.099 1.00 0.00 C ATOM 0 H ILE A 96 2.274 -5.162 5.314 1.00 0.00 H new ATOM 0 HA ILE A 96 1.192 -7.893 5.417 1.00 0.00 H new ATOM 0 HB ILE A 96 2.881 -6.727 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.401 -6.344 2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.002 -6.081 3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.385 -8.251 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.221 -9.158 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.511 -8.706 3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.501 -3.956 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.706 -4.290 4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.115 -4.557 2.355 1.00 0.00 H new ATOM 1514 N PRO A 97 3.334 -9.282 5.812 1.00 0.00 N ATOM 1515 CA PRO A 97 4.566 -10.055 5.818 1.00 0.00 C ATOM 1516 C PRO A 97 5.269 -9.893 4.472 1.00 0.00 C ATOM 1517 O PRO A 97 4.633 -9.620 3.453 1.00 0.00 O ATOM 1518 CB PRO A 97 4.133 -11.514 6.001 1.00 0.00 C ATOM 1519 CG PRO A 97 2.730 -11.535 5.420 1.00 0.00 C ATOM 1520 CD PRO A 97 2.199 -10.182 5.859 1.00 0.00 C ATOM 0 HA PRO A 97 5.251 -9.733 6.602 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.797 -12.200 5.475 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.139 -11.807 7.051 1.00 0.00 H new ATOM 0 HG2 PRO A 97 2.737 -11.640 4.335 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.134 -12.357 5.816 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.401 -9.841 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.781 -10.233 6.864 1.00 0.00 H new ATOM 1528 N MET A 98 6.562 -10.177 4.445 1.00 0.00 N ATOM 1529 CA MET A 98 7.265 -10.435 3.194 1.00 0.00 C ATOM 1530 C MET A 98 7.100 -11.914 2.812 1.00 0.00 C ATOM 1531 O MET A 98 6.759 -12.207 1.670 1.00 0.00 O ATOM 1532 CB MET A 98 8.746 -10.038 3.283 1.00 0.00 C ATOM 1533 CG MET A 98 8.939 -8.519 3.160 1.00 0.00 C ATOM 1534 SD MET A 98 10.632 -7.987 3.514 1.00 0.00 S ATOM 1535 CE MET A 98 10.449 -6.194 3.381 1.00 0.00 C ATOM 0 H MET A 98 7.149 -10.235 5.277 1.00 0.00 H new ATOM 0 HA MET A 98 6.826 -9.817 2.411 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.158 -10.381 4.232 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.305 -10.540 2.493 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.669 -8.205 2.152 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.256 -8.015 3.844 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.221 -5.704 3.975 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.550 -5.894 2.338 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.466 -5.900 3.750 1.00 0.00 H new ATOM 1545 N ASP A 99 7.263 -12.859 3.751 1.00 0.00 N ATOM 1546 CA ASP A 99 7.384 -14.303 3.467 1.00 0.00 C ATOM 1547 C ASP A 99 6.071 -14.984 3.048 1.00 0.00 C ATOM 1548 O ASP A 99 6.027 -16.196 2.854 1.00 0.00 O ATOM 1549 CB ASP A 99 8.000 -15.031 4.677 1.00 0.00 C ATOM 1550 CG ASP A 99 8.615 -16.402 4.345 1.00 0.00 C ATOM 1551 OD1 ASP A 99 8.914 -16.697 3.162 1.00 0.00 O ATOM 1552 OD2 ASP A 99 8.933 -17.160 5.290 1.00 0.00 O ATOM 0 H ASP A 99 7.316 -12.641 4.746 1.00 0.00 H new ATOM 0 HA ASP A 99 8.042 -14.380 2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.771 -14.396 5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 99 7.229 -15.166 5.436 1.00 0.00 H new ATOM 1557 N ALA A 100 4.987 -14.222 2.883 1.00 0.00 N ATOM 1558 CA ALA A 100 3.722 -14.700 2.325 1.00 0.00 C ATOM 1559 C ALA A 100 3.345 -13.957 1.031 1.00 0.00 C ATOM 1560 O ALA A 100 2.254 -14.158 0.489 1.00 0.00 O ATOM 1561 CB ALA A 100 2.621 -14.642 3.388 1.00 0.00 C ATOM 0 H ALA A 100 4.965 -13.235 3.139 1.00 0.00 H new ATOM 0 HA ALA A 100 3.844 -15.744 2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.684 -15.000 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.898 -15.271 4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.496 -13.613 3.726 1.00 0.00 H new ATOM 1567 N LEU A 101 4.218 -13.092 0.505 1.00 0.00 N ATOM 1568 CA LEU A 101 3.983 -12.417 -0.769 1.00 0.00 C ATOM 1569 C LEU A 101 4.197 -13.395 -1.913 1.00 0.00 C ATOM 1570 O LEU A 101 4.987 -14.333 -1.816 1.00 0.00 O ATOM 1571 CB LEU A 101 4.891 -11.189 -0.917 1.00 0.00 C ATOM 1572 CG LEU A 101 4.531 -10.083 0.089 1.00 0.00 C ATOM 1573 CD1 LEU A 101 5.562 -8.960 -0.001 1.00 0.00 C ATOM 1574 CD2 LEU A 101 3.124 -9.510 -0.153 1.00 0.00 C ATOM 0 H LEU A 101 5.102 -12.843 0.950 1.00 0.00 H new ATOM 0 HA LEU A 101 2.952 -12.065 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.930 -11.486 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.809 -10.798 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 101 4.537 -10.527 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.308 -8.175 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.551 -9.355 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.564 -8.547 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.916 -8.733 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.072 -9.085 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.386 -10.306 -0.058 1.00 0.00 H new ATOM 1586 N GLN A 102 3.457 -13.178 -2.995 1.00 0.00 N ATOM 1587 CA GLN A 102 3.383 -14.030 -4.163 1.00 0.00 C ATOM 1588 C GLN A 102 4.663 -14.005 -4.999 1.00 0.00 C ATOM 1589 O GLN A 102 4.870 -14.905 -5.814 1.00 0.00 O ATOM 1590 CB GLN A 102 2.200 -13.498 -4.980 1.00 0.00 C ATOM 1591 CG GLN A 102 1.732 -14.478 -6.047 1.00 0.00 C ATOM 1592 CD GLN A 102 0.609 -13.879 -6.885 1.00 0.00 C ATOM 1593 OE1 GLN A 102 0.775 -12.816 -7.475 1.00 0.00 O ATOM 1594 NE2 GLN A 102 -0.551 -14.495 -6.941 1.00 0.00 N ATOM 0 H GLN A 102 2.861 -12.354 -3.079 1.00 0.00 H new ATOM 0 HA GLN A 102 3.256 -15.071 -3.865 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.371 -13.276 -4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.485 -12.559 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.569 -14.745 -6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.387 -15.398 -5.575 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.684 -15.378 -6.449 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.318 -14.090 -7.477 1.00 0.00 H new ATOM 1603 N ASP A 103 5.461 -12.951 -4.865 1.00 0.00 N ATOM 1604 CA ASP A 103 6.618 -12.633 -5.693 1.00 0.00 C ATOM 1605 C ASP A 103 7.478 -11.617 -4.931 1.00 0.00 C ATOM 1606 O ASP A 103 7.099 -11.186 -3.836 1.00 0.00 O ATOM 1607 CB ASP A 103 6.100 -12.012 -7.004 1.00 0.00 C ATOM 1608 CG ASP A 103 7.045 -12.122 -8.200 1.00 0.00 C ATOM 1609 OD1 ASP A 103 8.283 -12.169 -8.041 1.00 0.00 O ATOM 1610 OD2 ASP A 103 6.510 -12.082 -9.327 1.00 0.00 O ATOM 0 H ASP A 103 5.309 -12.256 -4.134 1.00 0.00 H new ATOM 0 HA ASP A 103 7.213 -13.519 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.155 -12.490 -7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.886 -10.958 -6.827 1.00 0.00 H new ATOM 1615 N ASN A 104 8.568 -11.127 -5.520 1.00 0.00 N ATOM 1616 CA ASN A 104 9.306 -9.940 -5.089 1.00 0.00 C ATOM 1617 C ASN A 104 8.496 -8.651 -5.315 1.00 0.00 C ATOM 1618 O ASN A 104 9.082 -7.575 -5.389 1.00 0.00 O ATOM 1619 CB ASN A 104 10.658 -9.847 -5.827 1.00 0.00 C ATOM 1620 CG ASN A 104 11.709 -10.814 -5.318 1.00 0.00 C ATOM 1621 OD1 ASN A 104 11.471 -12.011 -5.177 1.00 0.00 O ATOM 1622 ND2 ASN A 104 12.875 -10.290 -4.980 1.00 0.00 N ATOM 0 H ASN A 104 8.978 -11.564 -6.345 1.00 0.00 H new ATOM 0 HA ASN A 104 9.486 -10.040 -4.019 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.494 -10.032 -6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.040 -8.830 -5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 104 13.607 -10.884 -4.590 1.00 0.00 H new ATOM 0 HD22 ASN A 104 13.042 -9.292 -5.109 1.00 0.00 H new ATOM 1629 N SER A 105 7.170 -8.702 -5.480 1.00 0.00 N ATOM 1630 CA SER A 105 6.363 -7.513 -5.686 1.00 0.00 C ATOM 1631 C SER A 105 5.125 -7.544 -4.805 1.00 0.00 C ATOM 1632 O SER A 105 4.626 -8.599 -4.400 1.00 0.00 O ATOM 1633 CB SER A 105 6.039 -7.327 -7.177 1.00 0.00 C ATOM 1634 OG SER A 105 5.316 -8.420 -7.709 1.00 0.00 O ATOM 0 H SER A 105 6.635 -9.570 -5.473 1.00 0.00 H new ATOM 0 HA SER A 105 6.936 -6.637 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.461 -6.413 -7.310 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.967 -7.201 -7.735 1.00 0.00 H new ATOM 0 HG SER A 105 5.927 -9.010 -8.198 1.00 0.00 H new ATOM 1640 N ILE A 106 4.602 -6.350 -4.559 1.00 0.00 N ATOM 1641 CA ILE A 106 3.394 -6.115 -3.794 1.00 0.00 C ATOM 1642 C ILE A 106 2.366 -5.504 -4.749 1.00 0.00 C ATOM 1643 O ILE A 106 2.703 -4.906 -5.779 1.00 0.00 O ATOM 1644 CB ILE A 106 3.773 -5.341 -2.506 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.630 -5.174 -1.486 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.492 -4.020 -2.791 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.721 -3.954 -1.676 1.00 0.00 C ATOM 0 H ILE A 106 5.027 -5.489 -4.902 1.00 0.00 H new ATOM 0 HA ILE A 106 2.902 -7.007 -3.406 1.00 0.00 H new ATOM 0 HB ILE A 106 4.491 -5.996 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.010 -6.070 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.067 -5.123 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.731 -3.525 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.412 -4.218 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.846 -3.375 -3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.957 -3.945 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.316 -3.043 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.243 -4.005 -2.654 1.00 0.00 H new ATOM 1659 N GLN A 107 1.095 -5.733 -4.441 1.00 0.00 N ATOM 1660 CA GLN A 107 -0.110 -5.163 -5.024 1.00 0.00 C ATOM 1661 C GLN A 107 -1.168 -5.277 -3.923 1.00 0.00 C ATOM 1662 O GLN A 107 -1.066 -6.158 -3.063 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.525 -5.942 -6.293 1.00 0.00 C ATOM 1664 CG GLN A 107 -1.917 -5.527 -6.804 1.00 0.00 C ATOM 1665 CD GLN A 107 -2.328 -6.197 -8.098 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -2.429 -7.413 -8.164 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.648 -5.426 -9.113 1.00 0.00 N ATOM 0 H GLN A 107 0.861 -6.392 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 107 0.030 -4.130 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.213 -5.774 -7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.523 -7.011 -6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.657 -5.758 -6.037 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.932 -4.446 -6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.555 -4.413 -9.033 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.989 -5.840 -9.980 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.195 -4.438 -3.990 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.425 -4.500 -3.218 1.00 0.00 C ATOM 1678 C ILE A 108 -4.538 -4.350 -4.269 1.00 0.00 C ATOM 1679 O ILE A 108 -4.309 -3.736 -5.316 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.396 -3.369 -2.158 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.147 -3.484 -1.244 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.678 -3.386 -1.322 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -2.073 -2.470 -0.095 1.00 0.00 C ATOM 0 H ILE A 108 -2.187 -3.643 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.575 -5.422 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.336 -2.417 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.119 -4.488 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.255 -3.373 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.641 -2.586 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.539 -3.239 -1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.768 -4.346 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.163 -2.638 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.063 -1.459 -0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.940 -2.592 0.554 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.740 -4.896 -4.067 1.00 0.00 N ATOM 1696 CA LYS A 109 -6.861 -4.561 -4.950 1.00 0.00 C ATOM 1697 C LYS A 109 -8.088 -4.479 -4.049 1.00 0.00 C ATOM 1698 O LYS A 109 -8.095 -5.137 -3.003 1.00 0.00 O ATOM 1699 CB LYS A 109 -6.969 -5.590 -6.102 1.00 0.00 C ATOM 1700 CG LYS A 109 -7.223 -7.026 -5.639 1.00 0.00 C ATOM 1701 CD LYS A 109 -6.267 -8.110 -6.170 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.780 -7.917 -5.831 1.00 0.00 C ATOM 1703 NZ LYS A 109 -4.034 -9.176 -6.067 1.00 0.00 N ATOM 0 H LYS A 109 -5.960 -5.555 -3.320 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.736 -3.606 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.776 -5.288 -6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.047 -5.565 -6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -7.183 -7.043 -4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.238 -7.300 -5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.587 -9.075 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.369 -8.158 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.361 -7.117 -6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.673 -7.612 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.017 -9.007 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.356 -9.902 -5.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.205 -9.504 -7.039 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.084 -3.668 -4.390 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.334 -3.633 -3.634 1.00 0.00 C ATOM 1719 C ALA A 110 -11.562 -3.490 -4.533 1.00 0.00 C ATOM 1720 O ALA A 110 -11.464 -2.951 -5.635 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.299 -2.451 -2.657 1.00 0.00 C ATOM 0 H ALA A 110 -9.052 -3.027 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.419 -4.582 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.229 -2.420 -2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.460 -2.570 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.183 -1.522 -3.214 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.726 -3.909 -4.026 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.013 -3.648 -4.671 1.00 0.00 C ATOM 1729 C LEU A 111 -14.352 -2.168 -4.502 1.00 0.00 C ATOM 1730 O LEU A 111 -14.279 -1.644 -3.386 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.122 -4.514 -4.044 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.456 -4.444 -4.817 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -16.432 -5.325 -6.065 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -17.626 -4.906 -3.947 1.00 0.00 C ATOM 0 H LEU A 111 -12.800 -4.438 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 111 -13.944 -3.900 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -14.786 -5.550 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.288 -4.193 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.586 -3.400 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -17.388 -5.249 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.633 -4.994 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.257 -6.361 -5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.551 -4.845 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -17.461 -5.937 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.701 -4.266 -3.068 1.00 0.00 H new ATOM 1746 N SER A 112 -14.779 -1.513 -5.580 1.00 0.00 N ATOM 1747 CA SER A 112 -15.474 -0.239 -5.516 1.00 0.00 C ATOM 1748 C SER A 112 -16.949 -0.506 -5.193 1.00 0.00 C ATOM 1749 O SER A 112 -17.378 -0.349 -4.044 1.00 0.00 O ATOM 1750 CB SER A 112 -15.258 0.534 -6.829 1.00 0.00 C ATOM 1751 OG SER A 112 -15.895 1.789 -6.758 1.00 0.00 O ATOM 0 H SER A 112 -14.648 -1.860 -6.530 1.00 0.00 H new ATOM 0 HA SER A 112 -15.078 0.395 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.192 0.668 -7.011 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.655 -0.038 -7.667 1.00 0.00 H new ATOM 0 HG SER A 112 -15.225 2.500 -6.831 1.00 0.00 H new ATOM 1757 N SER A 113 -17.731 -0.937 -6.184 1.00 0.00 N ATOM 1758 CA SER A 113 -19.185 -0.990 -6.132 1.00 0.00 C ATOM 1759 C SER A 113 -19.667 -2.085 -7.084 1.00 0.00 C ATOM 1760 O SER A 113 -18.956 -2.411 -8.034 1.00 0.00 O ATOM 1761 CB SER A 113 -19.718 0.383 -6.570 1.00 0.00 C ATOM 1762 OG SER A 113 -20.978 0.631 -5.981 1.00 0.00 O ATOM 0 H SER A 113 -17.353 -1.269 -7.072 1.00 0.00 H new ATOM 0 HA SER A 113 -19.543 -1.217 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 113 -19.014 1.163 -6.281 1.00 0.00 H new ATOM 0 HB3 SER A 113 -19.804 0.418 -7.656 1.00 0.00 H new ATOM 0 HG SER A 113 -21.305 1.509 -6.267 1.00 0.00 H new ATOM 1768 N GLY A 114 -20.865 -2.634 -6.878 1.00 0.00 N ATOM 1769 CA GLY A 114 -21.409 -3.715 -7.697 1.00 0.00 C ATOM 1770 C GLY A 114 -20.447 -4.903 -7.744 1.00 0.00 C ATOM 1771 O GLY A 114 -20.236 -5.565 -6.729 1.00 0.00 O ATOM 0 H GLY A 114 -21.491 -2.336 -6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -22.369 -4.035 -7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -21.595 -3.352 -8.708 1.00 0.00 H new ATOM 1775 N THR A 115 -19.854 -5.170 -8.905 1.00 0.00 N ATOM 1776 CA THR A 115 -18.804 -6.172 -9.105 1.00 0.00 C ATOM 1777 C THR A 115 -17.424 -5.538 -9.322 1.00 0.00 C ATOM 1778 O THR A 115 -16.410 -6.214 -9.162 1.00 0.00 O ATOM 1779 CB THR A 115 -19.185 -7.014 -10.327 1.00 0.00 C ATOM 1780 OG1 THR A 115 -19.624 -6.170 -11.379 1.00 0.00 O ATOM 1781 CG2 THR A 115 -20.312 -7.983 -9.972 1.00 0.00 C ATOM 0 H THR A 115 -20.098 -4.678 -9.765 1.00 0.00 H new ATOM 0 HA THR A 115 -18.730 -6.785 -8.207 1.00 0.00 H new ATOM 0 HB THR A 115 -18.306 -7.576 -10.644 1.00 0.00 H new ATOM 0 HG1 THR A 115 -19.864 -6.715 -12.157 1.00 0.00 H new ATOM 0 HG21 THR A 115 -20.573 -8.575 -10.849 1.00 0.00 H new ATOM 0 HG22 THR A 115 -19.983 -8.646 -9.172 1.00 0.00 H new ATOM 0 HG23 THR A 115 -21.185 -7.420 -9.641 1.00 0.00 H new ATOM 1789 N THR A 116 -17.426 -4.250 -9.660 1.00 0.00 N ATOM 1790 CA THR A 116 -16.358 -3.393 -10.139 1.00 0.00 C ATOM 1791 C THR A 116 -15.219 -3.391 -9.126 1.00 0.00 C ATOM 1792 O THR A 116 -15.339 -2.836 -8.027 1.00 0.00 O ATOM 1793 CB THR A 116 -16.933 -1.975 -10.360 1.00 0.00 C ATOM 1794 OG1 THR A 116 -18.344 -1.990 -10.541 1.00 0.00 O ATOM 1795 CG2 THR A 116 -16.329 -1.225 -11.536 1.00 0.00 C ATOM 0 H THR A 116 -18.295 -3.720 -9.593 1.00 0.00 H new ATOM 0 HA THR A 116 -15.957 -3.757 -11.085 1.00 0.00 H new ATOM 0 HB THR A 116 -16.664 -1.450 -9.444 1.00 0.00 H new ATOM 0 HG1 THR A 116 -18.786 -1.855 -9.677 1.00 0.00 H new ATOM 0 HG21 THR A 116 -16.791 -0.241 -11.616 1.00 0.00 H new ATOM 0 HG22 THR A 116 -15.256 -1.111 -11.382 1.00 0.00 H new ATOM 0 HG23 THR A 116 -16.506 -1.785 -12.454 1.00 0.00 H new ATOM 1803 N PHE A 117 -14.125 -4.048 -9.485 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.935 -4.205 -8.668 1.00 0.00 C ATOM 1805 C PHE A 117 -11.839 -3.345 -9.297 1.00 0.00 C ATOM 1806 O PHE A 117 -11.806 -3.158 -10.519 1.00 0.00 O ATOM 1807 CB PHE A 117 -12.577 -5.702 -8.579 1.00 0.00 C ATOM 1808 CG PHE A 117 -12.366 -6.260 -7.181 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -11.135 -6.100 -6.516 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -13.399 -6.985 -6.557 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -10.961 -6.628 -5.222 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -13.226 -7.504 -5.261 1.00 0.00 C ATOM 1813 CZ PHE A 117 -12.011 -7.312 -4.584 1.00 0.00 C ATOM 0 H PHE A 117 -14.041 -4.505 -10.393 1.00 0.00 H new ATOM 0 HA PHE A 117 -13.080 -3.869 -7.641 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -13.371 -6.273 -9.060 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.668 -5.872 -9.156 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -10.325 -5.573 -6.998 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -14.332 -7.144 -7.078 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.015 -6.507 -4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -14.028 -8.050 -4.787 1.00 0.00 H new ATOM 0 HZ PHE A 117 -11.884 -7.687 -3.579 1.00 0.00 H new ATOM 1823 N VAL A 118 -10.958 -2.807 -8.460 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.907 -1.874 -8.832 1.00 0.00 C ATOM 1825 C VAL A 118 -8.606 -2.489 -8.330 1.00 0.00 C ATOM 1826 O VAL A 118 -8.549 -2.964 -7.192 1.00 0.00 O ATOM 1827 CB VAL A 118 -10.177 -0.486 -8.206 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -9.201 0.560 -8.760 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -11.614 0.015 -8.439 1.00 0.00 C ATOM 0 H VAL A 118 -10.959 -3.020 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.859 -1.713 -9.909 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.034 -0.614 -7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.409 1.529 -8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.178 0.263 -8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.321 0.633 -9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.738 0.993 -7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.802 0.095 -9.510 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -12.320 -0.688 -7.998 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.567 -2.495 -9.162 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.313 -3.185 -8.902 1.00 0.00 C ATOM 1841 C TYR A 119 -5.199 -2.141 -8.887 1.00 0.00 C ATOM 1842 O TYR A 119 -5.096 -1.326 -9.814 1.00 0.00 O ATOM 1843 CB TYR A 119 -6.108 -4.292 -9.949 1.00 0.00 C ATOM 1844 CG TYR A 119 -7.197 -5.356 -9.973 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -8.432 -5.077 -10.579 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -6.987 -6.627 -9.412 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -9.455 -6.033 -10.619 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -8.012 -7.597 -9.430 1.00 0.00 C ATOM 1849 CZ TYR A 119 -9.258 -7.299 -10.031 1.00 0.00 C ATOM 1850 OH TYR A 119 -10.270 -8.215 -10.032 1.00 0.00 O ATOM 0 H TYR A 119 -7.578 -2.007 -10.057 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.314 -3.684 -7.933 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.046 -3.833 -10.936 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.150 -4.777 -9.762 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.597 -4.106 -11.023 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.033 -6.864 -8.963 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -10.394 -5.800 -11.100 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.845 -8.567 -8.985 1.00 0.00 H new ATOM 0 HH TYR A 119 -9.969 -9.035 -9.588 1.00 0.00 H new ATOM 1860 N SER A 120 -4.419 -2.096 -7.800 1.00 0.00 N ATOM 1861 CA SER A 120 -3.350 -1.118 -7.674 1.00 0.00 C ATOM 1862 C SER A 120 -2.184 -1.508 -8.576 1.00 0.00 C ATOM 1863 O SER A 120 -1.983 -2.691 -8.856 1.00 0.00 O ATOM 1864 CB SER A 120 -2.895 -1.008 -6.213 1.00 0.00 C ATOM 1865 OG SER A 120 -1.969 -2.022 -5.844 1.00 0.00 O ATOM 0 H SER A 120 -4.513 -2.725 -7.003 1.00 0.00 H new ATOM 0 HA SER A 120 -3.722 -0.142 -7.986 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.439 -0.031 -6.052 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.767 -1.064 -5.561 1.00 0.00 H new ATOM 0 HG SER A 120 -1.059 -1.658 -5.867 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.326 -0.538 -8.883 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.135 -0.778 -9.692 1.00 0.00 C ATOM 1873 C GLN A 121 0.789 -1.792 -9.001 1.00 0.00 C ATOM 1874 O GLN A 121 0.879 -1.839 -7.765 1.00 0.00 O ATOM 1875 CB GLN A 121 0.549 0.549 -10.076 1.00 0.00 C ATOM 1876 CG GLN A 121 0.935 1.466 -8.905 1.00 0.00 C ATOM 1877 CD GLN A 121 1.471 2.820 -9.365 1.00 0.00 C ATOM 1878 OE1 GLN A 121 1.127 3.345 -10.414 1.00 0.00 O ATOM 1879 NE2 GLN A 121 2.246 3.478 -8.521 1.00 0.00 N ATOM 0 H GLN A 121 -1.436 0.430 -8.580 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.422 -1.236 -10.639 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.450 0.320 -10.646 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -0.117 1.100 -10.740 1.00 0.00 H new ATOM 0 HG2 GLN A 121 0.063 1.622 -8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 121 1.690 0.970 -8.295 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.533 3.041 -7.646 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.557 4.423 -8.745 1.00 0.00 H new ATOM 1888 N LYS A 122 1.428 -2.644 -9.808 1.00 0.00 N ATOM 1889 CA LYS A 122 2.371 -3.672 -9.370 1.00 0.00 C ATOM 1890 C LYS A 122 3.707 -2.993 -9.093 1.00 0.00 C ATOM 1891 O LYS A 122 4.090 -2.125 -9.876 1.00 0.00 O ATOM 1892 CB LYS A 122 2.543 -4.690 -10.509 1.00 0.00 C ATOM 1893 CG LYS A 122 3.006 -6.063 -10.007 1.00 0.00 C ATOM 1894 CD LYS A 122 3.447 -6.945 -11.182 1.00 0.00 C ATOM 1895 CE LYS A 122 3.926 -8.303 -10.677 1.00 0.00 C ATOM 1896 NZ LYS A 122 4.555 -9.101 -11.747 1.00 0.00 N ATOM 0 H LYS A 122 1.297 -2.635 -10.819 1.00 0.00 H new ATOM 0 HA LYS A 122 2.013 -4.179 -8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.597 -4.801 -11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.267 -4.307 -11.228 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.832 -5.941 -9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.196 -6.550 -9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.617 -7.080 -11.875 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.247 -6.452 -11.735 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.640 -8.157 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.082 -8.854 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.866 -10.015 -11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.867 -9.263 -12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.377 -8.588 -12.126 1.00 0.00 H new ATOM 1910 N ILE A 123 4.393 -3.338 -8.001 1.00 0.00 N ATOM 1911 CA ILE A 123 5.676 -2.729 -7.665 1.00 0.00 C ATOM 1912 C ILE A 123 6.599 -3.801 -7.094 1.00 0.00 C ATOM 1913 O ILE A 123 6.432 -4.241 -5.950 1.00 0.00 O ATOM 1914 CB ILE A 123 5.490 -1.527 -6.702 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.413 -0.483 -7.096 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.818 -0.793 -6.454 1.00 0.00 C ATOM 1917 CD1 ILE A 123 4.809 0.471 -8.217 1.00 0.00 C ATOM 0 H ILE A 123 4.076 -4.040 -7.333 1.00 0.00 H new ATOM 0 HA ILE A 123 6.139 -2.323 -8.564 1.00 0.00 H new ATOM 0 HB ILE A 123 5.122 -2.005 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.509 -1.013 -7.395 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.160 0.105 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.650 0.043 -5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.537 -1.482 -6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.209 -0.419 -7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.988 1.160 -8.416 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.692 1.036 -7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.031 -0.099 -9.119 1.00 0.00 H new ATOM 1929 N ASP A 124 7.554 -4.214 -7.918 1.00 0.00 N ATOM 1930 CA ASP A 124 8.679 -5.105 -7.632 1.00 0.00 C ATOM 1931 C ASP A 124 9.711 -4.407 -6.749 1.00 0.00 C ATOM 1932 O ASP A 124 9.924 -3.210 -6.910 1.00 0.00 O ATOM 1933 CB ASP A 124 9.288 -5.544 -8.974 1.00 0.00 C ATOM 1934 CG ASP A 124 8.807 -6.940 -9.363 1.00 0.00 C ATOM 1935 OD1 ASP A 124 9.389 -7.943 -8.893 1.00 0.00 O ATOM 1936 OD2 ASP A 124 7.768 -7.039 -10.060 1.00 0.00 O ATOM 0 H ASP A 124 7.565 -3.908 -8.891 1.00 0.00 H new ATOM 0 HA ASP A 124 8.338 -5.982 -7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 124 9.014 -4.831 -9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.376 -5.537 -8.903 1.00 0.00 H new ATOM 1941 N PHE A 125 10.344 -5.115 -5.812 1.00 0.00 N ATOM 1942 CA PHE A 125 11.310 -4.612 -4.833 1.00 0.00 C ATOM 1943 C PHE A 125 12.450 -5.629 -4.649 1.00 0.00 C ATOM 1944 O PHE A 125 12.449 -6.672 -5.306 1.00 0.00 O ATOM 1945 CB PHE A 125 10.580 -4.279 -3.514 1.00 0.00 C ATOM 1946 CG PHE A 125 9.873 -5.440 -2.828 1.00 0.00 C ATOM 1947 CD1 PHE A 125 10.611 -6.315 -2.016 1.00 0.00 C ATOM 1948 CD2 PHE A 125 8.481 -5.634 -2.956 1.00 0.00 C ATOM 1949 CE1 PHE A 125 9.987 -7.381 -1.354 1.00 0.00 C ATOM 1950 CE2 PHE A 125 7.853 -6.708 -2.298 1.00 0.00 C ATOM 1951 CZ PHE A 125 8.609 -7.589 -1.507 1.00 0.00 C ATOM 0 H PHE A 125 10.186 -6.118 -5.710 1.00 0.00 H new ATOM 0 HA PHE A 125 11.768 -3.690 -5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.305 -3.859 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.844 -3.501 -3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.674 -6.165 -1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.896 -4.957 -3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 125 10.567 -8.042 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.788 -6.855 -2.401 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.130 -8.424 -1.018 1.00 0.00 H new ATOM 1961 N GLU A 126 13.463 -5.349 -3.820 1.00 0.00 N ATOM 1962 CA GLU A 126 14.553 -6.294 -3.570 1.00 0.00 C ATOM 1963 C GLU A 126 14.550 -6.728 -2.109 1.00 0.00 C ATOM 1964 O GLU A 126 14.022 -6.004 -1.260 1.00 0.00 O ATOM 1965 CB GLU A 126 15.856 -5.721 -4.127 1.00 0.00 C ATOM 1966 CG GLU A 126 16.237 -6.332 -5.471 1.00 0.00 C ATOM 1967 CD GLU A 126 16.864 -7.719 -5.347 1.00 0.00 C ATOM 1968 OE1 GLU A 126 16.632 -8.430 -4.343 1.00 0.00 O ATOM 1969 OE2 GLU A 126 17.587 -8.070 -6.309 1.00 0.00 O ATOM 0 H GLU A 126 13.548 -4.470 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 126 14.418 -7.231 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.756 -4.641 -4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.660 -5.895 -3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 126 15.348 -6.397 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 126 16.937 -5.668 -5.979 1.00 0.00 H new ATOM 1976 N ARG A 127 15.074 -7.925 -1.821 1.00 0.00 N ATOM 1977 CA ARG A 127 15.236 -8.523 -0.513 1.00 0.00 C ATOM 1978 C ARG A 127 16.699 -8.440 -0.085 1.00 0.00 C ATOM 1979 O ARG A 127 17.459 -9.362 -0.378 1.00 0.00 O ATOM 1980 CB ARG A 127 14.736 -9.977 -0.525 1.00 0.00 C ATOM 1981 CG ARG A 127 13.293 -10.080 -0.048 1.00 0.00 C ATOM 1982 CD ARG A 127 12.239 -10.065 -1.152 1.00 0.00 C ATOM 1983 NE ARG A 127 12.354 -11.214 -2.050 1.00 0.00 N ATOM 1984 CZ ARG A 127 11.911 -12.461 -1.825 1.00 0.00 C ATOM 1985 NH1 ARG A 127 11.471 -12.832 -0.626 1.00 0.00 N ATOM 1986 NH2 ARG A 127 11.917 -13.352 -2.809 1.00 0.00 N ATOM 0 H ARG A 127 15.418 -8.538 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 127 14.637 -7.973 0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.815 -10.381 -1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.375 -10.587 0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.182 -11.000 0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.093 -9.254 0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 127 11.246 -10.057 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 127 12.335 -9.145 -1.729 1.00 0.00 H new ATOM 0 HE ARG A 127 12.820 -11.050 -2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 127 11.466 -12.164 0.145 1.00 0.00 H new ATOM 0 HH12 ARG A 127 11.139 -13.785 -0.477 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.258 -13.088 -3.734 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.581 -14.300 -2.640 1.00 0.00 H new ATOM 2000 N GLU A 128 17.012 -7.359 0.635 1.00 0.00 N ATOM 2001 CA GLU A 128 18.224 -7.043 1.401 1.00 0.00 C ATOM 2002 C GLU A 128 19.567 -7.284 0.715 1.00 0.00 C ATOM 2003 O GLU A 128 20.584 -6.870 1.304 1.00 0.00 O ATOM 2004 CB GLU A 128 18.130 -7.544 2.866 1.00 0.00 C ATOM 2005 CG GLU A 128 17.460 -8.909 3.044 1.00 0.00 C ATOM 2006 CD GLU A 128 17.354 -9.412 4.495 1.00 0.00 C ATOM 2007 OE1 GLU A 128 17.667 -8.693 5.476 1.00 0.00 O ATOM 2008 OE2 GLU A 128 16.813 -10.535 4.667 1.00 0.00 O ATOM 0 H GLU A 128 16.343 -6.593 0.704 1.00 0.00 H new ATOM 0 HA GLU A 128 18.235 -5.954 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 128 19.136 -7.594 3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 128 17.579 -6.807 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 128 16.457 -8.859 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 128 18.015 -9.645 2.463 1.00 0.00 H new