USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 34 ASN : amide:sc= 1.5 K(o=1.5,f=-3.4!) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 17 MET CE :methyl -173:sc= 0 (180deg=-0.0473) USER MOD Set 3.1: A 15 SER OG : rot -120:sc= -0.0851 USER MOD Set 3.2: A 78 LYS NZ :NH3+ -120:sc= -0.0328 (180deg=-1.82!) USER MOD Single : A 5 THR OG1 : rot 88:sc= 0.812 USER MOD Single : A 10 ASN : amide:sc= -0.0272 K(o=-0.027,f=-0.93) USER MOD Single : A 12 ASN : amide:sc= 0.796 K(o=0.8,f=-1.9) USER MOD Single : A 14 HIS : no HD1:sc=-0.00874 X(o=-0.0087,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.113 USER MOD Single : A 27 TYR OH : rot 169:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0266 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0168) USER MOD Single : A 42 GLN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 43 THR OG1 : rot -29:sc= -0.86 USER MOD Single : A 44 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.28) USER MOD Single : A 46 ASN : amide:sc= 1.13 K(o=1.1,f=-6.4!) USER MOD Single : A 53 GLN : amide:sc= -0.713 K(o=-0.71,f=-0.0064) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 61 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 64 GLN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.29) USER MOD Single : A 70 HIS : no HD1:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 74 THR OG1 : rot -150:sc= 0.0281 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc=-2.71e-05 (180deg=-2.71e-05) USER MOD ----------------------------------------------------------------- ATOM 42 N ASP A 4 9.638 9.475 -1.386 1.00 31.31 N ATOM 43 CA ASP A 4 9.461 8.070 -1.086 1.00 21.53 C ATOM 44 C ASP A 4 8.027 7.681 -0.768 1.00 54.44 C ATOM 45 O ASP A 4 7.575 7.681 0.378 1.00 20.54 O ATOM 46 CB ASP A 4 10.465 7.625 -0.029 1.00 4.04 C ATOM 47 CG ASP A 4 11.785 7.231 -0.691 1.00 40.34 C ATOM 48 OD1 ASP A 4 12.780 7.988 -0.591 1.00 61.22 O ATOM 49 OD2 ASP A 4 11.772 6.218 -1.425 1.00 11.43 O ATOM 0 HA ASP A 4 9.675 7.515 -1.999 1.00 21.53 H new ATOM 0 HB2 ASP A 4 10.634 8.431 0.685 1.00 4.04 H new ATOM 0 HB3 ASP A 4 10.064 6.781 0.532 1.00 4.04 H new ATOM 54 N THR A 5 7.317 7.326 -1.834 1.00 3.35 N ATOM 55 CA THR A 5 5.958 6.836 -1.754 1.00 34.35 C ATOM 56 C THR A 5 5.927 5.442 -2.366 1.00 2.11 C ATOM 57 O THR A 5 6.498 5.257 -3.444 1.00 2.15 O ATOM 58 CB THR A 5 4.987 7.757 -2.512 1.00 71.12 C ATOM 59 OG1 THR A 5 5.364 9.117 -2.442 1.00 32.53 O ATOM 60 CG2 THR A 5 3.551 7.613 -2.006 1.00 51.24 C ATOM 0 H THR A 5 7.679 7.373 -2.786 1.00 3.35 H new ATOM 0 HA THR A 5 5.642 6.812 -0.711 1.00 34.35 H new ATOM 0 HB THR A 5 5.036 7.436 -3.552 1.00 71.12 H new ATOM 0 HG1 THR A 5 5.983 9.323 -3.173 1.00 32.53 H new ATOM 0 HG21 THR A 5 2.898 8.281 -2.568 1.00 51.24 H new ATOM 0 HG22 THR A 5 3.219 6.583 -2.141 1.00 51.24 H new ATOM 0 HG23 THR A 5 3.510 7.872 -0.948 1.00 51.24 H new ATOM 68 N ILE A 6 5.210 4.501 -1.754 1.00 35.35 N ATOM 69 CA ILE A 6 4.930 3.196 -2.345 1.00 55.01 C ATOM 70 C ILE A 6 3.418 3.166 -2.537 1.00 63.32 C ATOM 71 O ILE A 6 2.670 3.318 -1.570 1.00 64.44 O ATOM 72 CB ILE A 6 5.488 2.037 -1.490 1.00 21.43 C ATOM 73 CG1 ILE A 6 6.982 2.267 -1.171 1.00 43.10 C ATOM 74 CG2 ILE A 6 5.252 0.690 -2.202 1.00 54.01 C ATOM 75 CD1 ILE A 6 7.633 1.120 -0.398 1.00 51.13 C ATOM 0 H ILE A 6 4.804 4.625 -0.826 1.00 35.35 H new ATOM 0 HA ILE A 6 5.434 3.054 -3.301 1.00 55.01 H new ATOM 0 HB ILE A 6 4.956 2.007 -0.539 1.00 21.43 H new ATOM 0 HG12 ILE A 6 7.524 2.417 -2.105 1.00 43.10 H new ATOM 0 HG13 ILE A 6 7.083 3.185 -0.593 1.00 43.10 H new ATOM 0 HG21 ILE A 6 5.649 -0.120 -1.590 1.00 54.01 H new ATOM 0 HG22 ILE A 6 4.183 0.540 -2.352 1.00 54.01 H new ATOM 0 HG23 ILE A 6 5.757 0.696 -3.168 1.00 54.01 H new ATOM 0 HD11 ILE A 6 8.681 1.355 -0.212 1.00 51.13 H new ATOM 0 HD12 ILE A 6 7.117 0.983 0.553 1.00 51.13 H new ATOM 0 HD13 ILE A 6 7.565 0.203 -0.983 1.00 51.13 H new ATOM 87 N ILE A 7 2.960 3.076 -3.781 1.00 61.32 N ATOM 88 CA ILE A 7 1.547 3.133 -4.122 1.00 74.23 C ATOM 89 C ILE A 7 1.084 1.693 -4.314 1.00 4.33 C ATOM 90 O ILE A 7 1.761 0.898 -4.964 1.00 20.32 O ATOM 91 CB ILE A 7 1.306 4.022 -5.364 1.00 11.41 C ATOM 92 CG1 ILE A 7 2.012 5.385 -5.175 1.00 4.22 C ATOM 93 CG2 ILE A 7 -0.212 4.197 -5.581 1.00 20.14 C ATOM 94 CD1 ILE A 7 1.749 6.400 -6.287 1.00 32.54 C ATOM 0 H ILE A 7 3.570 2.960 -4.590 1.00 61.32 H new ATOM 0 HA ILE A 7 0.963 3.600 -3.329 1.00 74.23 H new ATOM 0 HB ILE A 7 1.726 3.548 -6.251 1.00 11.41 H new ATOM 0 HG12 ILE A 7 1.693 5.816 -4.226 1.00 4.22 H new ATOM 0 HG13 ILE A 7 3.086 5.215 -5.103 1.00 4.22 H new ATOM 0 HG21 ILE A 7 -0.385 4.823 -6.456 1.00 20.14 H new ATOM 0 HG22 ILE A 7 -0.672 3.221 -5.737 1.00 20.14 H new ATOM 0 HG23 ILE A 7 -0.653 4.670 -4.704 1.00 20.14 H new ATOM 0 HD11 ILE A 7 2.284 7.325 -6.070 1.00 32.54 H new ATOM 0 HD12 ILE A 7 2.095 5.995 -7.238 1.00 32.54 H new ATOM 0 HD13 ILE A 7 0.680 6.605 -6.347 1.00 32.54 H new ATOM 106 N LEU A 8 -0.074 1.360 -3.758 1.00 23.42 N ATOM 107 CA LEU A 8 -0.722 0.073 -3.940 1.00 53.24 C ATOM 108 C LEU A 8 -1.897 0.229 -4.895 1.00 73.43 C ATOM 109 O LEU A 8 -2.514 1.295 -4.951 1.00 4.45 O ATOM 110 CB LEU A 8 -1.245 -0.454 -2.603 1.00 21.41 C ATOM 111 CG LEU A 8 -0.214 -0.673 -1.486 1.00 20.55 C ATOM 112 CD1 LEU A 8 -0.976 -1.332 -0.332 1.00 12.05 C ATOM 113 CD2 LEU A 8 0.975 -1.546 -1.903 1.00 11.25 C ATOM 0 H LEU A 8 -0.598 1.994 -3.155 1.00 23.42 H new ATOM 0 HA LEU A 8 0.006 -0.629 -4.346 1.00 53.24 H new ATOM 0 HB2 LEU A 8 -1.998 0.243 -2.236 1.00 21.41 H new ATOM 0 HB3 LEU A 8 -1.751 -1.402 -2.787 1.00 21.41 H new ATOM 0 HG LEU A 8 0.226 0.286 -1.211 1.00 20.55 H new ATOM 0 HD11 LEU A 8 -0.293 -1.514 0.498 1.00 12.05 H new ATOM 0 HD12 LEU A 8 -1.779 -0.673 -0.003 1.00 12.05 H new ATOM 0 HD13 LEU A 8 -1.399 -2.279 -0.669 1.00 12.05 H new ATOM 0 HD21 LEU A 8 1.659 -1.655 -1.062 1.00 11.25 H new ATOM 0 HD22 LEU A 8 0.616 -2.529 -2.208 1.00 11.25 H new ATOM 0 HD23 LEU A 8 1.497 -1.076 -2.737 1.00 11.25 H new ATOM 125 N ARG A 9 -2.287 -0.860 -5.557 1.00 12.02 N ATOM 126 CA ARG A 9 -3.509 -0.973 -6.358 1.00 33.25 C ATOM 127 C ARG A 9 -4.101 -2.354 -6.116 1.00 63.13 C ATOM 128 O ARG A 9 -3.508 -3.174 -5.414 1.00 3.33 O ATOM 129 CB ARG A 9 -3.259 -0.821 -7.868 1.00 3.35 C ATOM 130 CG ARG A 9 -2.481 0.399 -8.358 1.00 31.23 C ATOM 131 CD ARG A 9 -1.776 0.109 -9.697 1.00 74.13 C ATOM 132 NE ARG A 9 -2.359 0.803 -10.856 1.00 5.31 N ATOM 133 CZ ARG A 9 -3.617 0.770 -11.308 1.00 71.52 C ATOM 134 NH1 ARG A 9 -4.512 -0.093 -10.834 1.00 73.50 N ATOM 135 NH2 ARG A 9 -3.977 1.629 -12.246 1.00 25.41 N ATOM 0 H ARG A 9 -1.741 -1.721 -5.551 1.00 12.02 H new ATOM 0 HA ARG A 9 -4.178 -0.168 -6.054 1.00 33.25 H new ATOM 0 HB2 ARG A 9 -2.729 -1.711 -8.208 1.00 3.35 H new ATOM 0 HB3 ARG A 9 -4.229 -0.818 -8.366 1.00 3.35 H new ATOM 0 HG2 ARG A 9 -3.160 1.243 -8.477 1.00 31.23 H new ATOM 0 HG3 ARG A 9 -1.742 0.687 -7.610 1.00 31.23 H new ATOM 0 HD2 ARG A 9 -0.727 0.392 -9.610 1.00 74.13 H new ATOM 0 HD3 ARG A 9 -1.802 -0.965 -9.882 1.00 74.13 H new ATOM 0 HE ARG A 9 -1.716 1.390 -11.387 1.00 5.31 H new ATOM 0 HH11 ARG A 9 -4.246 -0.755 -10.105 1.00 73.50 H new ATOM 0 HH12 ARG A 9 -5.464 -0.093 -11.200 1.00 73.50 H new ATOM 0 HH21 ARG A 9 -3.300 2.299 -12.611 1.00 25.41 H new ATOM 0 HH22 ARG A 9 -4.932 1.621 -12.605 1.00 25.41 H new ATOM 149 N ASN A 10 -5.228 -2.626 -6.769 1.00 22.43 N ATOM 150 CA ASN A 10 -6.018 -3.837 -6.606 1.00 21.15 C ATOM 151 C ASN A 10 -6.374 -4.084 -5.149 1.00 33.35 C ATOM 152 O ASN A 10 -6.347 -5.203 -4.647 1.00 52.33 O ATOM 153 CB ASN A 10 -5.393 -5.065 -7.278 1.00 3.42 C ATOM 154 CG ASN A 10 -6.440 -6.181 -7.332 1.00 5.15 C ATOM 155 OD1 ASN A 10 -7.576 -5.946 -7.739 1.00 71.40 O ATOM 156 ND2 ASN A 10 -6.125 -7.383 -6.884 1.00 31.45 N ATOM 0 H ASN A 10 -5.629 -1.983 -7.451 1.00 22.43 H new ATOM 0 HA ASN A 10 -6.953 -3.666 -7.139 1.00 21.15 H new ATOM 0 HB2 ASN A 10 -5.055 -4.815 -8.284 1.00 3.42 H new ATOM 0 HB3 ASN A 10 -4.517 -5.396 -6.721 1.00 3.42 H new ATOM 0 HD21 ASN A 10 -6.826 -8.124 -6.874 1.00 31.45 H new ATOM 0 HD22 ASN A 10 -5.180 -7.571 -6.548 1.00 31.45 H new ATOM 163 N LEU A 11 -6.701 -3.023 -4.422 1.00 64.31 N ATOM 164 CA LEU A 11 -7.393 -3.164 -3.172 1.00 20.15 C ATOM 165 C LEU A 11 -8.821 -3.543 -3.569 1.00 11.33 C ATOM 166 O LEU A 11 -9.425 -2.866 -4.411 1.00 72.34 O ATOM 167 CB LEU A 11 -7.308 -1.830 -2.418 1.00 1.13 C ATOM 168 CG LEU A 11 -5.893 -1.394 -1.964 1.00 55.34 C ATOM 169 CD1 LEU A 11 -5.374 -2.175 -0.756 1.00 22.14 C ATOM 170 CD2 LEU A 11 -4.776 -1.389 -3.001 1.00 63.10 C ATOM 0 H LEU A 11 -6.493 -2.060 -4.687 1.00 64.31 H new ATOM 0 HA LEU A 11 -6.978 -3.918 -2.503 1.00 20.15 H new ATOM 0 HB2 LEU A 11 -7.720 -1.048 -3.056 1.00 1.13 H new ATOM 0 HB3 LEU A 11 -7.947 -1.892 -1.537 1.00 1.13 H new ATOM 0 HG LEU A 11 -6.102 -0.352 -1.722 1.00 55.34 H new ATOM 0 HD11 LEU A 11 -4.378 -1.818 -0.492 1.00 22.14 H new ATOM 0 HD12 LEU A 11 -6.047 -2.029 0.088 1.00 22.14 H new ATOM 0 HD13 LEU A 11 -5.326 -3.236 -1.002 1.00 22.14 H new ATOM 0 HD21 LEU A 11 -3.847 -1.062 -2.534 1.00 63.10 H new ATOM 0 HD22 LEU A 11 -4.646 -2.395 -3.401 1.00 63.10 H new ATOM 0 HD23 LEU A 11 -5.035 -0.707 -3.811 1.00 63.10 H new ATOM 182 N ASN A 12 -9.352 -4.604 -2.955 1.00 15.22 N ATOM 183 CA ASN A 12 -10.785 -4.860 -2.992 1.00 44.10 C ATOM 184 C ASN A 12 -11.430 -3.757 -2.171 1.00 4.42 C ATOM 185 O ASN A 12 -10.870 -3.386 -1.127 1.00 54.00 O ATOM 186 CB ASN A 12 -11.195 -6.196 -2.352 1.00 21.25 C ATOM 187 CG ASN A 12 -11.419 -7.320 -3.357 1.00 32.35 C ATOM 188 OD1 ASN A 12 -11.021 -7.276 -4.516 1.00 43.24 O ATOM 189 ND2 ASN A 12 -12.053 -8.368 -2.882 1.00 33.34 N ATOM 0 H ASN A 12 -8.811 -5.292 -2.431 1.00 15.22 H new ATOM 0 HA ASN A 12 -11.096 -4.895 -4.036 1.00 44.10 H new ATOM 0 HB2 ASN A 12 -10.423 -6.502 -1.646 1.00 21.25 H new ATOM 0 HB3 ASN A 12 -12.110 -6.047 -1.778 1.00 21.25 H new ATOM 0 HD21 ASN A 12 -12.226 -9.175 -3.482 1.00 33.34 H new ATOM 0 HD22 ASN A 12 -12.372 -8.375 -1.913 1.00 33.34 H new ATOM 196 N PRO A 13 -12.636 -3.313 -2.532 1.00 31.25 N ATOM 197 CA PRO A 13 -13.343 -2.279 -1.796 1.00 74.54 C ATOM 198 C PRO A 13 -13.895 -2.796 -0.464 1.00 14.33 C ATOM 199 O PRO A 13 -14.138 -1.993 0.433 1.00 14.43 O ATOM 200 CB PRO A 13 -14.472 -1.876 -2.728 1.00 54.42 C ATOM 201 CG PRO A 13 -14.798 -3.128 -3.523 1.00 51.42 C ATOM 202 CD PRO A 13 -13.447 -3.821 -3.632 1.00 14.21 C ATOM 0 HA PRO A 13 -12.689 -1.448 -1.530 1.00 74.54 H new ATOM 0 HB2 PRO A 13 -15.340 -1.528 -2.168 1.00 54.42 H new ATOM 0 HB3 PRO A 13 -14.169 -1.061 -3.385 1.00 54.42 H new ATOM 0 HG2 PRO A 13 -15.532 -3.751 -3.012 1.00 51.42 H new ATOM 0 HG3 PRO A 13 -15.210 -2.889 -4.503 1.00 51.42 H new ATOM 0 HD2 PRO A 13 -13.559 -4.903 -3.565 1.00 14.21 H new ATOM 0 HD3 PRO A 13 -12.977 -3.608 -4.592 1.00 14.21 H new ATOM 210 N HIS A 14 -14.072 -4.112 -0.298 1.00 2.05 N ATOM 211 CA HIS A 14 -14.558 -4.698 0.952 1.00 60.31 C ATOM 212 C HIS A 14 -13.460 -4.806 2.033 1.00 54.11 C ATOM 213 O HIS A 14 -13.658 -5.458 3.055 1.00 43.14 O ATOM 214 CB HIS A 14 -15.182 -6.071 0.648 1.00 34.51 C ATOM 215 CG HIS A 14 -16.447 -6.047 -0.183 1.00 22.14 C ATOM 216 ND1 HIS A 14 -16.969 -7.132 -0.846 1.00 62.50 N ATOM 217 CD2 HIS A 14 -17.310 -5.000 -0.377 1.00 55.22 C ATOM 218 CE1 HIS A 14 -18.129 -6.762 -1.410 1.00 54.21 C ATOM 219 NE2 HIS A 14 -18.382 -5.469 -1.147 1.00 32.54 N ATOM 0 H HIS A 14 -13.882 -4.799 -1.028 1.00 2.05 H new ATOM 0 HA HIS A 14 -15.313 -4.032 1.369 1.00 60.31 H new ATOM 0 HB2 HIS A 14 -14.441 -6.680 0.131 1.00 34.51 H new ATOM 0 HB3 HIS A 14 -15.399 -6.568 1.593 1.00 34.51 H new ATOM 0 HD2 HIS A 14 -17.186 -3.994 -0.003 1.00 55.22 H new ATOM 0 HE1 HIS A 14 -18.767 -7.410 -1.992 1.00 54.21 H new ATOM 0 HE2 HIS A 14 -19.196 -4.933 -1.449 1.00 32.54 H new ATOM 227 N SER A 15 -12.310 -4.146 1.872 1.00 61.51 N ATOM 228 CA SER A 15 -11.265 -3.980 2.871 1.00 23.41 C ATOM 229 C SER A 15 -10.978 -2.487 3.136 1.00 64.44 C ATOM 230 O SER A 15 -11.533 -1.608 2.468 1.00 4.15 O ATOM 231 CB SER A 15 -10.043 -4.662 2.276 1.00 63.20 C ATOM 232 OG SER A 15 -9.943 -6.058 2.515 1.00 40.44 O ATOM 0 H SER A 15 -12.076 -3.690 0.990 1.00 61.51 H new ATOM 0 HA SER A 15 -11.553 -4.409 3.831 1.00 23.41 H new ATOM 0 HB2 SER A 15 -10.044 -4.495 1.199 1.00 63.20 H new ATOM 0 HB3 SER A 15 -9.150 -4.179 2.672 1.00 63.20 H new ATOM 0 HG SER A 15 -9.115 -6.248 3.004 1.00 40.44 H new ATOM 238 N THR A 16 -10.065 -2.193 4.068 1.00 63.52 N ATOM 239 CA THR A 16 -9.693 -0.848 4.485 1.00 13.45 C ATOM 240 C THR A 16 -8.169 -0.730 4.412 1.00 15.12 C ATOM 241 O THR A 16 -7.647 -0.377 3.357 1.00 60.44 O ATOM 242 CB THR A 16 -10.350 -0.523 5.851 1.00 73.54 C ATOM 243 OG1 THR A 16 -9.749 0.577 6.493 1.00 14.23 O ATOM 244 CG2 THR A 16 -10.382 -1.673 6.872 1.00 54.22 C ATOM 0 H THR A 16 -9.549 -2.917 4.568 1.00 63.52 H new ATOM 0 HA THR A 16 -10.078 -0.075 3.820 1.00 13.45 H new ATOM 0 HB THR A 16 -11.376 -0.305 5.556 1.00 73.54 H new ATOM 0 HG1 THR A 16 -10.199 0.743 7.348 1.00 14.23 H new ATOM 0 HG21 THR A 16 -10.863 -1.332 7.789 1.00 54.22 H new ATOM 0 HG22 THR A 16 -10.942 -2.512 6.458 1.00 54.22 H new ATOM 0 HG23 THR A 16 -9.363 -1.991 7.094 1.00 54.22 H new ATOM 252 N MET A 17 -7.428 -1.119 5.447 1.00 43.23 N ATOM 253 CA MET A 17 -5.966 -1.159 5.444 1.00 73.33 C ATOM 254 C MET A 17 -5.492 -2.146 6.491 1.00 23.22 C ATOM 255 O MET A 17 -4.739 -3.061 6.176 1.00 13.31 O ATOM 256 CB MET A 17 -5.356 0.232 5.675 1.00 61.21 C ATOM 257 CG MET A 17 -5.612 0.881 7.042 1.00 61.32 C ATOM 258 SD MET A 17 -5.449 2.679 7.048 1.00 74.10 S ATOM 259 CE MET A 17 -7.090 3.122 6.443 1.00 33.31 C ATOM 0 H MET A 17 -7.836 -1.422 6.331 1.00 43.23 H new ATOM 0 HA MET A 17 -5.628 -1.487 4.461 1.00 73.33 H new ATOM 0 HB2 MET A 17 -4.278 0.159 5.530 1.00 61.21 H new ATOM 0 HB3 MET A 17 -5.736 0.902 4.904 1.00 61.21 H new ATOM 0 HG2 MET A 17 -6.616 0.617 7.375 1.00 61.32 H new ATOM 0 HG3 MET A 17 -4.915 0.462 7.767 1.00 61.32 H new ATOM 0 HE1 MET A 17 -7.134 4.196 6.262 1.00 33.31 H new ATOM 0 HE2 MET A 17 -7.291 2.589 5.514 1.00 33.31 H new ATOM 0 HE3 MET A 17 -7.838 2.849 7.187 1.00 33.31 H new ATOM 269 N ASP A 18 -6.002 -2.009 7.717 1.00 54.12 N ATOM 270 CA ASP A 18 -5.623 -2.831 8.862 1.00 61.54 C ATOM 271 C ASP A 18 -5.846 -4.317 8.545 1.00 52.14 C ATOM 272 O ASP A 18 -5.030 -5.156 8.915 1.00 40.10 O ATOM 273 CB ASP A 18 -6.420 -2.372 10.089 1.00 11.45 C ATOM 274 CG ASP A 18 -6.005 -3.142 11.339 1.00 53.42 C ATOM 275 OD1 ASP A 18 -6.737 -4.079 11.729 1.00 60.11 O ATOM 276 OD2 ASP A 18 -4.905 -2.875 11.863 1.00 2.35 O ATOM 0 H ASP A 18 -6.706 -1.306 7.943 1.00 54.12 H new ATOM 0 HA ASP A 18 -4.562 -2.710 9.081 1.00 61.54 H new ATOM 0 HB2 ASP A 18 -6.264 -1.305 10.248 1.00 11.45 H new ATOM 0 HB3 ASP A 18 -7.485 -2.515 9.908 1.00 11.45 H new ATOM 281 N SER A 19 -6.879 -4.613 7.746 1.00 52.21 N ATOM 282 CA SER A 19 -7.267 -5.940 7.264 1.00 1.24 C ATOM 283 C SER A 19 -6.165 -6.635 6.456 1.00 20.12 C ATOM 284 O SER A 19 -6.099 -7.864 6.407 1.00 51.44 O ATOM 285 CB SER A 19 -8.487 -5.793 6.339 1.00 15.05 C ATOM 286 OG SER A 19 -9.306 -4.696 6.698 1.00 21.23 O ATOM 0 H SER A 19 -7.504 -3.885 7.399 1.00 52.21 H new ATOM 0 HA SER A 19 -7.477 -6.545 8.146 1.00 1.24 H new ATOM 0 HB2 SER A 19 -8.147 -5.668 5.311 1.00 15.05 H new ATOM 0 HB3 SER A 19 -9.077 -6.709 6.371 1.00 15.05 H new ATOM 0 HG SER A 19 -10.067 -4.641 6.083 1.00 21.23 H new ATOM 292 N ILE A 20 -5.350 -5.837 5.773 1.00 73.54 N ATOM 293 CA ILE A 20 -4.342 -6.220 4.796 1.00 72.21 C ATOM 294 C ILE A 20 -2.995 -6.175 5.490 1.00 62.12 C ATOM 295 O ILE A 20 -2.262 -7.153 5.450 1.00 40.00 O ATOM 296 CB ILE A 20 -4.423 -5.268 3.575 1.00 31.53 C ATOM 297 CG1 ILE A 20 -5.844 -5.287 2.979 1.00 23.24 C ATOM 298 CG2 ILE A 20 -3.361 -5.497 2.487 1.00 42.13 C ATOM 299 CD1 ILE A 20 -6.033 -4.203 1.926 1.00 34.21 C ATOM 0 H ILE A 20 -5.382 -4.825 5.900 1.00 73.54 H new ATOM 0 HA ILE A 20 -4.502 -7.229 4.416 1.00 72.21 H new ATOM 0 HB ILE A 20 -4.194 -4.277 3.967 1.00 31.53 H new ATOM 0 HG12 ILE A 20 -6.038 -6.263 2.534 1.00 23.24 H new ATOM 0 HG13 ILE A 20 -6.574 -5.149 3.777 1.00 23.24 H new ATOM 0 HG21 ILE A 20 -3.507 -4.780 1.679 1.00 42.13 H new ATOM 0 HG22 ILE A 20 -2.367 -5.365 2.915 1.00 42.13 H new ATOM 0 HG23 ILE A 20 -3.455 -6.509 2.094 1.00 42.13 H new ATOM 0 HD11 ILE A 20 -7.048 -4.252 1.532 1.00 34.21 H new ATOM 0 HD12 ILE A 20 -5.865 -3.225 2.377 1.00 34.21 H new ATOM 0 HD13 ILE A 20 -5.321 -4.356 1.115 1.00 34.21 H new ATOM 311 N LEU A 21 -2.686 -5.058 6.143 1.00 15.04 N ATOM 312 CA LEU A 21 -1.410 -4.776 6.786 1.00 75.23 C ATOM 313 C LEU A 21 -0.972 -5.899 7.717 1.00 33.23 C ATOM 314 O LEU A 21 0.213 -6.216 7.740 1.00 72.43 O ATOM 315 CB LEU A 21 -1.532 -3.456 7.558 1.00 22.23 C ATOM 316 CG LEU A 21 -1.469 -2.216 6.655 1.00 62.10 C ATOM 317 CD1 LEU A 21 -1.744 -0.953 7.472 1.00 0.12 C ATOM 318 CD2 LEU A 21 -0.094 -2.109 5.992 1.00 55.00 C ATOM 0 H LEU A 21 -3.351 -4.291 6.242 1.00 15.04 H new ATOM 0 HA LEU A 21 -0.644 -4.695 6.015 1.00 75.23 H new ATOM 0 HB2 LEU A 21 -2.474 -3.450 8.107 1.00 22.23 H new ATOM 0 HB3 LEU A 21 -0.732 -3.400 8.297 1.00 22.23 H new ATOM 0 HG LEU A 21 -2.230 -2.315 5.881 1.00 62.10 H new ATOM 0 HD11 LEU A 21 -1.696 -0.081 6.820 1.00 0.12 H new ATOM 0 HD12 LEU A 21 -2.736 -1.018 7.920 1.00 0.12 H new ATOM 0 HD13 LEU A 21 -0.996 -0.859 8.259 1.00 0.12 H new ATOM 0 HD21 LEU A 21 -0.065 -1.225 5.355 1.00 55.00 H new ATOM 0 HD22 LEU A 21 0.675 -2.028 6.760 1.00 55.00 H new ATOM 0 HD23 LEU A 21 0.089 -2.998 5.388 1.00 55.00 H new ATOM 330 N GLY A 22 -1.902 -6.529 8.424 1.00 40.43 N ATOM 331 CA GLY A 22 -1.610 -7.594 9.367 1.00 40.24 C ATOM 332 C GLY A 22 -1.168 -8.901 8.714 1.00 31.35 C ATOM 333 O GLY A 22 -0.756 -9.806 9.433 1.00 4.43 O ATOM 0 H GLY A 22 -2.895 -6.308 8.355 1.00 40.43 H new ATOM 0 HA2 GLY A 22 -0.828 -7.258 10.048 1.00 40.24 H new ATOM 0 HA3 GLY A 22 -2.498 -7.784 9.970 1.00 40.24 H new ATOM 337 N ALA A 23 -1.354 -9.058 7.400 1.00 14.42 N ATOM 338 CA ALA A 23 -0.949 -10.232 6.636 1.00 54.32 C ATOM 339 C ALA A 23 -0.230 -9.842 5.342 1.00 71.22 C ATOM 340 O ALA A 23 0.010 -10.690 4.482 1.00 61.50 O ATOM 341 CB ALA A 23 -2.190 -11.056 6.321 1.00 55.02 C ATOM 0 H ALA A 23 -1.805 -8.347 6.825 1.00 14.42 H new ATOM 0 HA ALA A 23 -0.247 -10.816 7.231 1.00 54.32 H new ATOM 0 HB1 ALA A 23 -1.905 -11.939 5.749 1.00 55.02 H new ATOM 0 HB2 ALA A 23 -2.668 -11.365 7.251 1.00 55.02 H new ATOM 0 HB3 ALA A 23 -2.887 -10.455 5.737 1.00 55.02 H new ATOM 347 N LEU A 24 0.181 -8.579 5.225 1.00 20.55 N ATOM 348 CA LEU A 24 0.972 -8.064 4.121 1.00 35.41 C ATOM 349 C LEU A 24 2.255 -7.463 4.705 1.00 31.12 C ATOM 350 O LEU A 24 2.787 -6.469 4.191 1.00 31.13 O ATOM 351 CB LEU A 24 0.148 -7.056 3.296 1.00 75.20 C ATOM 352 CG LEU A 24 0.748 -6.787 1.897 1.00 73.52 C ATOM 353 CD1 LEU A 24 0.305 -7.849 0.886 1.00 13.23 C ATOM 354 CD2 LEU A 24 0.335 -5.403 1.380 1.00 44.33 C ATOM 0 H LEU A 24 -0.038 -7.868 5.922 1.00 20.55 H new ATOM 0 HA LEU A 24 1.249 -8.857 3.426 1.00 35.41 H new ATOM 0 HB2 LEU A 24 -0.869 -7.432 3.183 1.00 75.20 H new ATOM 0 HB3 LEU A 24 0.081 -6.116 3.843 1.00 75.20 H new ATOM 0 HG LEU A 24 1.832 -6.827 2.002 1.00 73.52 H new ATOM 0 HD11 LEU A 24 0.744 -7.630 -0.087 1.00 13.23 H new ATOM 0 HD12 LEU A 24 0.637 -8.832 1.222 1.00 13.23 H new ATOM 0 HD13 LEU A 24 -0.782 -7.842 0.803 1.00 13.23 H new ATOM 0 HD21 LEU A 24 0.770 -5.238 0.394 1.00 44.33 H new ATOM 0 HD22 LEU A 24 -0.751 -5.350 1.311 1.00 44.33 H new ATOM 0 HD23 LEU A 24 0.693 -4.636 2.067 1.00 44.33 H new ATOM 366 N ALA A 25 2.740 -8.011 5.822 1.00 74.14 N ATOM 367 CA ALA A 25 3.905 -7.523 6.536 1.00 2.11 C ATOM 368 C ALA A 25 4.984 -8.598 6.731 1.00 3.33 C ATOM 369 O ALA A 25 5.455 -8.793 7.854 1.00 4.42 O ATOM 370 CB ALA A 25 3.421 -6.932 7.854 1.00 32.14 C ATOM 0 H ALA A 25 2.316 -8.829 6.260 1.00 74.14 H new ATOM 0 HA ALA A 25 4.401 -6.754 5.943 1.00 2.11 H new ATOM 0 HB1 ALA A 25 4.274 -6.554 8.418 1.00 32.14 H new ATOM 0 HB2 ALA A 25 2.728 -6.115 7.654 1.00 32.14 H new ATOM 0 HB3 ALA A 25 2.915 -7.703 8.434 1.00 32.14 H new ATOM 376 N PRO A 26 5.463 -9.264 5.668 1.00 20.22 N ATOM 377 CA PRO A 26 6.581 -10.187 5.782 1.00 60.14 C ATOM 378 C PRO A 26 7.931 -9.490 6.018 1.00 64.50 C ATOM 379 O PRO A 26 8.861 -10.171 6.450 1.00 62.34 O ATOM 380 CB PRO A 26 6.567 -10.990 4.480 1.00 41.10 C ATOM 381 CG PRO A 26 5.935 -10.035 3.468 1.00 35.45 C ATOM 382 CD PRO A 26 4.934 -9.268 4.314 1.00 11.35 C ATOM 0 HA PRO A 26 6.468 -10.824 6.659 1.00 60.14 H new ATOM 0 HB2 PRO A 26 7.573 -11.282 4.180 1.00 41.10 H new ATOM 0 HB3 PRO A 26 5.986 -11.907 4.582 1.00 41.10 H new ATOM 0 HG2 PRO A 26 6.675 -9.374 3.018 1.00 35.45 H new ATOM 0 HG3 PRO A 26 5.449 -10.572 2.653 1.00 35.45 H new ATOM 0 HD2 PRO A 26 4.809 -8.251 3.942 1.00 11.35 H new ATOM 0 HD3 PRO A 26 3.953 -9.742 4.281 1.00 11.35 H new ATOM 390 N TYR A 27 8.072 -8.182 5.741 1.00 42.00 N ATOM 391 CA TYR A 27 9.355 -7.455 5.852 1.00 75.41 C ATOM 392 C TYR A 27 9.215 -6.024 6.391 1.00 63.41 C ATOM 393 O TYR A 27 10.188 -5.473 6.902 1.00 4.25 O ATOM 394 CB TYR A 27 10.110 -7.428 4.508 1.00 20.41 C ATOM 395 CG TYR A 27 10.162 -8.761 3.792 1.00 53.00 C ATOM 396 CD1 TYR A 27 11.014 -9.788 4.234 1.00 43.10 C ATOM 397 CD2 TYR A 27 9.264 -9.007 2.744 1.00 75.11 C ATOM 398 CE1 TYR A 27 10.926 -11.073 3.669 1.00 63.21 C ATOM 399 CE2 TYR A 27 9.165 -10.285 2.175 1.00 21.21 C ATOM 400 CZ TYR A 27 9.984 -11.332 2.651 1.00 71.54 C ATOM 401 OH TYR A 27 9.798 -12.601 2.194 1.00 13.04 O ATOM 0 H TYR A 27 7.298 -7.594 5.432 1.00 42.00 H new ATOM 0 HA TYR A 27 9.932 -8.018 6.585 1.00 75.41 H new ATOM 0 HB2 TYR A 27 9.636 -6.696 3.854 1.00 20.41 H new ATOM 0 HB3 TYR A 27 11.129 -7.084 4.685 1.00 20.41 H new ATOM 0 HD1 TYR A 27 11.739 -9.590 5.010 1.00 43.10 H new ATOM 0 HD2 TYR A 27 8.643 -8.206 2.372 1.00 75.11 H new ATOM 0 HE1 TYR A 27 11.579 -11.861 4.014 1.00 63.21 H new ATOM 0 HE2 TYR A 27 8.464 -10.468 1.374 1.00 21.21 H new ATOM 0 HH TYR A 27 8.999 -12.631 1.627 1.00 13.04 H new ATOM 411 N ALA A 28 8.046 -5.394 6.251 1.00 54.21 N ATOM 412 CA ALA A 28 7.739 -4.072 6.783 1.00 63.51 C ATOM 413 C ALA A 28 6.369 -4.149 7.431 1.00 55.22 C ATOM 414 O ALA A 28 5.464 -4.763 6.865 1.00 35.25 O ATOM 415 CB ALA A 28 7.713 -3.037 5.659 1.00 73.43 C ATOM 0 H ALA A 28 7.263 -5.808 5.746 1.00 54.21 H new ATOM 0 HA ALA A 28 8.499 -3.772 7.504 1.00 63.51 H new ATOM 0 HB1 ALA A 28 7.482 -2.056 6.073 1.00 73.43 H new ATOM 0 HB2 ALA A 28 8.687 -3.005 5.171 1.00 73.43 H new ATOM 0 HB3 ALA A 28 6.951 -3.311 4.930 1.00 73.43 H new ATOM 421 N VAL A 29 6.211 -3.513 8.588 1.00 72.34 N ATOM 422 CA VAL A 29 5.053 -3.675 9.453 1.00 24.51 C ATOM 423 C VAL A 29 4.558 -2.258 9.761 1.00 14.05 C ATOM 424 O VAL A 29 5.143 -1.553 10.583 1.00 62.32 O ATOM 425 CB VAL A 29 5.438 -4.528 10.691 1.00 53.50 C ATOM 426 CG1 VAL A 29 4.189 -5.148 11.324 1.00 34.45 C ATOM 427 CG2 VAL A 29 6.437 -5.665 10.398 1.00 22.14 C ATOM 0 H VAL A 29 6.900 -2.857 8.956 1.00 72.34 H new ATOM 0 HA VAL A 29 4.233 -4.228 8.994 1.00 24.51 H new ATOM 0 HB VAL A 29 5.928 -3.829 11.368 1.00 53.50 H new ATOM 0 HG11 VAL A 29 4.477 -5.743 12.191 1.00 34.45 H new ATOM 0 HG12 VAL A 29 3.509 -4.356 11.637 1.00 34.45 H new ATOM 0 HG13 VAL A 29 3.691 -5.787 10.595 1.00 34.45 H new ATOM 0 HG21 VAL A 29 6.650 -6.209 11.318 1.00 22.14 H new ATOM 0 HG22 VAL A 29 6.007 -6.347 9.665 1.00 22.14 H new ATOM 0 HG23 VAL A 29 7.362 -5.244 10.003 1.00 22.14 H new ATOM 437 N LEU A 30 3.582 -1.784 8.986 1.00 44.20 N ATOM 438 CA LEU A 30 3.196 -0.369 8.927 1.00 64.22 C ATOM 439 C LEU A 30 2.129 -0.052 9.976 1.00 43.32 C ATOM 440 O LEU A 30 1.402 -0.948 10.412 1.00 12.01 O ATOM 441 CB LEU A 30 2.679 -0.016 7.520 1.00 13.44 C ATOM 442 CG LEU A 30 3.654 -0.359 6.375 1.00 75.40 C ATOM 443 CD1 LEU A 30 2.966 -0.221 5.016 1.00 15.25 C ATOM 444 CD2 LEU A 30 4.884 0.543 6.405 1.00 61.43 C ATOM 0 H LEU A 30 3.027 -2.380 8.371 1.00 44.20 H new ATOM 0 HA LEU A 30 4.078 0.235 9.142 1.00 64.22 H new ATOM 0 HB2 LEU A 30 1.739 -0.542 7.350 1.00 13.44 H new ATOM 0 HB3 LEU A 30 2.458 1.051 7.485 1.00 13.44 H new ATOM 0 HG LEU A 30 3.969 -1.392 6.520 1.00 75.40 H new ATOM 0 HD11 LEU A 30 3.673 -0.468 4.224 1.00 15.25 H new ATOM 0 HD12 LEU A 30 2.115 -0.901 4.968 1.00 15.25 H new ATOM 0 HD13 LEU A 30 2.619 0.804 4.886 1.00 15.25 H new ATOM 0 HD21 LEU A 30 5.551 0.276 5.586 1.00 61.43 H new ATOM 0 HD22 LEU A 30 4.575 1.583 6.297 1.00 61.43 H new ATOM 0 HD23 LEU A 30 5.405 0.416 7.354 1.00 61.43 H new ATOM 456 N SER A 31 1.958 1.222 10.335 1.00 11.02 N ATOM 457 CA SER A 31 1.179 1.626 11.509 1.00 34.23 C ATOM 458 C SER A 31 -0.252 2.063 11.152 1.00 42.04 C ATOM 459 O SER A 31 -0.861 2.834 11.892 1.00 53.22 O ATOM 460 CB SER A 31 1.914 2.788 12.197 1.00 42.33 C ATOM 461 OG SER A 31 3.308 2.560 12.321 1.00 54.50 O ATOM 0 H SER A 31 2.357 2.006 9.818 1.00 11.02 H new ATOM 0 HA SER A 31 1.090 0.764 12.170 1.00 34.23 H new ATOM 0 HB2 SER A 31 1.749 3.703 11.629 1.00 42.33 H new ATOM 0 HB3 SER A 31 1.487 2.947 13.187 1.00 42.33 H new ATOM 0 HG SER A 31 3.727 3.328 12.763 1.00 54.50 H new ATOM 467 N SER A 32 -0.796 1.611 10.019 1.00 1.11 N ATOM 468 CA SER A 32 -2.022 2.086 9.361 1.00 2.45 C ATOM 469 C SER A 32 -2.025 3.577 8.984 1.00 4.25 C ATOM 470 O SER A 32 -2.396 3.905 7.859 1.00 35.52 O ATOM 471 CB SER A 32 -3.278 1.739 10.168 1.00 51.30 C ATOM 472 OG SER A 32 -3.276 0.390 10.587 1.00 75.14 O ATOM 0 H SER A 32 -0.362 0.849 9.498 1.00 1.11 H new ATOM 0 HA SER A 32 -2.038 1.542 8.417 1.00 2.45 H new ATOM 0 HB2 SER A 32 -3.341 2.390 11.040 1.00 51.30 H new ATOM 0 HB3 SER A 32 -4.164 1.930 9.562 1.00 51.30 H new ATOM 0 HG SER A 32 -4.091 0.206 11.100 1.00 75.14 H new ATOM 478 N SER A 33 -1.613 4.502 9.853 1.00 74.41 N ATOM 479 CA SER A 33 -1.564 5.939 9.585 1.00 63.51 C ATOM 480 C SER A 33 -0.671 6.268 8.380 1.00 61.54 C ATOM 481 O SER A 33 -0.961 7.202 7.624 1.00 23.54 O ATOM 482 CB SER A 33 -1.109 6.661 10.856 1.00 41.41 C ATOM 483 OG SER A 33 -0.014 6.008 11.478 1.00 23.45 O ATOM 0 H SER A 33 -1.294 4.263 10.792 1.00 74.41 H new ATOM 0 HA SER A 33 -2.561 6.289 9.315 1.00 63.51 H new ATOM 0 HB2 SER A 33 -0.828 7.685 10.610 1.00 41.41 H new ATOM 0 HB3 SER A 33 -1.942 6.719 11.557 1.00 41.41 H new ATOM 0 HG SER A 33 0.246 6.501 12.284 1.00 23.45 H new ATOM 489 N ASN A 34 0.354 5.437 8.142 1.00 54.01 N ATOM 490 CA ASN A 34 1.233 5.484 6.975 1.00 0.31 C ATOM 491 C ASN A 34 0.472 5.356 5.662 1.00 43.24 C ATOM 492 O ASN A 34 1.023 5.716 4.627 1.00 62.31 O ATOM 493 CB ASN A 34 2.235 4.316 7.007 1.00 61.11 C ATOM 494 CG ASN A 34 3.136 4.365 8.218 1.00 62.12 C ATOM 495 OD1 ASN A 34 2.788 3.785 9.237 1.00 74.30 O ATOM 496 ND2 ASN A 34 4.255 5.057 8.131 1.00 73.44 N ATOM 0 H ASN A 34 0.599 4.685 8.786 1.00 54.01 H new ATOM 0 HA ASN A 34 1.731 6.452 7.023 1.00 0.31 H new ATOM 0 HB2 ASN A 34 1.689 3.372 7.001 1.00 61.11 H new ATOM 0 HB3 ASN A 34 2.844 4.338 6.103 1.00 61.11 H new ATOM 0 HD21 ASN A 34 4.876 5.126 8.937 1.00 73.44 H new ATOM 0 HD22 ASN A 34 4.500 5.523 7.257 1.00 73.44 H new ATOM 503 N VAL A 35 -0.721 4.760 5.666 1.00 12.03 N ATOM 504 CA VAL A 35 -1.393 4.283 4.469 1.00 35.22 C ATOM 505 C VAL A 35 -2.591 5.186 4.173 1.00 20.55 C ATOM 506 O VAL A 35 -3.660 5.055 4.776 1.00 1.33 O ATOM 507 CB VAL A 35 -1.739 2.787 4.616 1.00 44.34 C ATOM 508 CG1 VAL A 35 -2.264 2.243 3.284 1.00 72.14 C ATOM 509 CG2 VAL A 35 -0.508 1.962 5.032 1.00 44.32 C ATOM 0 H VAL A 35 -1.253 4.595 6.521 1.00 12.03 H new ATOM 0 HA VAL A 35 -0.739 4.344 3.599 1.00 35.22 H new ATOM 0 HB VAL A 35 -2.500 2.699 5.392 1.00 44.34 H new ATOM 0 HG11 VAL A 35 -2.507 1.186 3.393 1.00 72.14 H new ATOM 0 HG12 VAL A 35 -3.159 2.793 2.994 1.00 72.14 H new ATOM 0 HG13 VAL A 35 -1.500 2.362 2.516 1.00 72.14 H new ATOM 0 HG21 VAL A 35 -0.788 0.913 5.126 1.00 44.32 H new ATOM 0 HG22 VAL A 35 0.270 2.063 4.276 1.00 44.32 H new ATOM 0 HG23 VAL A 35 -0.133 2.325 5.989 1.00 44.32 H new ATOM 519 N ARG A 36 -2.416 6.127 3.246 1.00 20.45 N ATOM 520 CA ARG A 36 -3.491 6.964 2.727 1.00 41.14 C ATOM 521 C ARG A 36 -4.512 6.092 1.982 1.00 4.32 C ATOM 522 O ARG A 36 -4.259 5.679 0.844 1.00 40.23 O ATOM 523 CB ARG A 36 -2.888 8.086 1.857 1.00 21.23 C ATOM 524 CG ARG A 36 -2.699 9.415 2.604 1.00 14.31 C ATOM 525 CD ARG A 36 -4.023 10.151 2.850 1.00 64.53 C ATOM 526 NE ARG A 36 -3.779 11.585 3.084 1.00 53.21 N ATOM 527 CZ ARG A 36 -4.185 12.327 4.121 1.00 75.43 C ATOM 528 NH1 ARG A 36 -5.028 11.834 5.023 1.00 33.31 N ATOM 529 NH2 ARG A 36 -3.749 13.574 4.244 1.00 73.43 N ATOM 0 H ARG A 36 -1.508 6.331 2.829 1.00 20.45 H new ATOM 0 HA ARG A 36 -4.033 7.449 3.538 1.00 41.14 H new ATOM 0 HB2 ARG A 36 -1.923 7.756 1.472 1.00 21.23 H new ATOM 0 HB3 ARG A 36 -3.535 8.253 0.996 1.00 21.23 H new ATOM 0 HG2 ARG A 36 -2.212 9.223 3.560 1.00 14.31 H new ATOM 0 HG3 ARG A 36 -2.032 10.058 2.030 1.00 14.31 H new ATOM 0 HD2 ARG A 36 -4.682 10.023 1.991 1.00 64.53 H new ATOM 0 HD3 ARG A 36 -4.533 9.717 3.710 1.00 64.53 H new ATOM 0 HE ARG A 36 -3.236 12.070 2.370 1.00 53.21 H new ATOM 0 HH11 ARG A 36 -5.374 10.879 4.930 1.00 33.31 H new ATOM 0 HH12 ARG A 36 -5.329 12.411 5.808 1.00 33.31 H new ATOM 0 HH21 ARG A 36 -3.109 13.961 3.551 1.00 73.43 H new ATOM 0 HH22 ARG A 36 -4.054 14.146 5.032 1.00 73.43 H new ATOM 543 N VAL A 37 -5.665 5.833 2.601 1.00 3.04 N ATOM 544 CA VAL A 37 -6.830 5.172 2.023 1.00 52.02 C ATOM 545 C VAL A 37 -7.938 6.206 1.884 1.00 31.42 C ATOM 546 O VAL A 37 -8.725 6.435 2.802 1.00 54.21 O ATOM 547 CB VAL A 37 -7.237 3.921 2.830 1.00 2.33 C ATOM 548 CG1 VAL A 37 -8.410 3.163 2.189 1.00 11.22 C ATOM 549 CG2 VAL A 37 -6.063 2.938 2.875 1.00 34.35 C ATOM 0 H VAL A 37 -5.817 6.095 3.575 1.00 3.04 H new ATOM 0 HA VAL A 37 -6.598 4.786 1.030 1.00 52.02 H new ATOM 0 HB VAL A 37 -7.527 4.274 3.820 1.00 2.33 H new ATOM 0 HG11 VAL A 37 -8.656 2.292 2.797 1.00 11.22 H new ATOM 0 HG12 VAL A 37 -9.278 3.820 2.128 1.00 11.22 H new ATOM 0 HG13 VAL A 37 -8.130 2.839 1.187 1.00 11.22 H new ATOM 0 HG21 VAL A 37 -6.350 2.054 3.445 1.00 34.35 H new ATOM 0 HG22 VAL A 37 -5.795 2.644 1.860 1.00 34.35 H new ATOM 0 HG23 VAL A 37 -5.207 3.415 3.352 1.00 34.35 H new ATOM 559 N ILE A 38 -7.986 6.850 0.719 1.00 2.22 N ATOM 560 CA ILE A 38 -9.158 7.601 0.306 1.00 55.24 C ATOM 561 C ILE A 38 -10.287 6.574 0.118 1.00 41.31 C ATOM 562 O ILE A 38 -10.063 5.452 -0.357 1.00 72.45 O ATOM 563 CB ILE A 38 -8.885 8.399 -0.996 1.00 43.41 C ATOM 564 CG1 ILE A 38 -7.574 9.223 -0.936 1.00 34.30 C ATOM 565 CG2 ILE A 38 -10.075 9.341 -1.296 1.00 22.52 C ATOM 566 CD1 ILE A 38 -7.163 9.778 -2.306 1.00 1.14 C ATOM 0 H ILE A 38 -7.220 6.863 0.045 1.00 2.22 H new ATOM 0 HA ILE A 38 -9.434 8.343 1.055 1.00 55.24 H new ATOM 0 HB ILE A 38 -8.769 7.667 -1.795 1.00 43.41 H new ATOM 0 HG12 ILE A 38 -7.700 10.049 -0.236 1.00 34.30 H new ATOM 0 HG13 ILE A 38 -6.772 8.595 -0.547 1.00 34.30 H new ATOM 0 HG21 ILE A 38 -9.876 9.898 -2.212 1.00 22.52 H new ATOM 0 HG22 ILE A 38 -10.983 8.752 -1.420 1.00 22.52 H new ATOM 0 HG23 ILE A 38 -10.205 10.038 -0.468 1.00 22.52 H new ATOM 0 HD11 ILE A 38 -6.239 10.347 -2.206 1.00 1.14 H new ATOM 0 HD12 ILE A 38 -7.008 8.953 -3.001 1.00 1.14 H new ATOM 0 HD13 ILE A 38 -7.950 10.429 -2.686 1.00 1.14 H new ATOM 578 N LYS A 39 -11.513 6.975 0.447 1.00 40.14 N ATOM 579 CA LYS A 39 -12.724 6.234 0.148 1.00 51.22 C ATOM 580 C LYS A 39 -13.666 7.102 -0.660 1.00 75.25 C ATOM 581 O LYS A 39 -13.559 8.334 -0.668 1.00 23.41 O ATOM 582 CB LYS A 39 -13.396 5.678 1.420 1.00 1.13 C ATOM 583 CG LYS A 39 -13.484 6.647 2.605 1.00 33.23 C ATOM 584 CD LYS A 39 -12.295 6.520 3.571 1.00 32.40 C ATOM 585 CE LYS A 39 -12.381 5.313 4.513 1.00 12.44 C ATOM 586 NZ LYS A 39 -13.394 5.454 5.588 1.00 71.44 N ATOM 0 H LYS A 39 -11.690 7.849 0.942 1.00 40.14 H new ATOM 0 HA LYS A 39 -12.456 5.363 -0.450 1.00 51.22 H new ATOM 0 HB2 LYS A 39 -14.405 5.355 1.164 1.00 1.13 H new ATOM 0 HB3 LYS A 39 -12.849 4.791 1.740 1.00 1.13 H new ATOM 0 HG2 LYS A 39 -13.533 7.669 2.229 1.00 33.23 H new ATOM 0 HG3 LYS A 39 -14.410 6.463 3.150 1.00 33.23 H new ATOM 0 HD2 LYS A 39 -11.375 6.450 2.991 1.00 32.40 H new ATOM 0 HD3 LYS A 39 -12.227 7.429 4.168 1.00 32.40 H new ATOM 0 HE2 LYS A 39 -12.611 4.424 3.926 1.00 12.44 H new ATOM 0 HE3 LYS A 39 -11.404 5.151 4.968 1.00 12.44 H new ATOM 0 HZ1 LYS A 39 -13.392 4.600 6.181 1.00 71.44 H new ATOM 0 HZ2 LYS A 39 -13.166 6.283 6.173 1.00 71.44 H new ATOM 0 HZ3 LYS A 39 -14.335 5.578 5.164 1.00 71.44 H new ATOM 600 N ASP A 40 -14.583 6.439 -1.344 1.00 74.43 N ATOM 601 CA ASP A 40 -15.657 7.067 -2.085 1.00 42.41 C ATOM 602 C ASP A 40 -16.629 7.746 -1.120 1.00 55.33 C ATOM 603 O ASP A 40 -16.651 7.406 0.065 1.00 64.44 O ATOM 604 CB ASP A 40 -16.390 6.000 -2.899 1.00 15.34 C ATOM 605 CG ASP A 40 -17.315 6.700 -3.876 1.00 3.00 C ATOM 606 OD1 ASP A 40 -16.803 7.513 -4.672 1.00 64.25 O ATOM 607 OD2 ASP A 40 -18.548 6.571 -3.726 1.00 0.14 O ATOM 0 H ASP A 40 -14.599 5.421 -1.399 1.00 74.43 H new ATOM 0 HA ASP A 40 -15.247 7.822 -2.756 1.00 42.41 H new ATOM 0 HB2 ASP A 40 -15.676 5.373 -3.434 1.00 15.34 H new ATOM 0 HB3 ASP A 40 -16.959 5.344 -2.240 1.00 15.34 H new ATOM 612 N LYS A 41 -17.457 8.681 -1.596 1.00 75.12 N ATOM 613 CA LYS A 41 -18.468 9.335 -0.757 1.00 51.21 C ATOM 614 C LYS A 41 -19.841 8.703 -0.868 1.00 21.13 C ATOM 615 O LYS A 41 -20.684 8.926 -0.008 1.00 15.03 O ATOM 616 CB LYS A 41 -18.604 10.814 -1.125 1.00 11.34 C ATOM 617 CG LYS A 41 -17.347 11.571 -0.687 1.00 31.33 C ATOM 618 CD LYS A 41 -17.605 13.063 -0.467 1.00 34.40 C ATOM 619 CE LYS A 41 -16.592 13.624 0.527 1.00 15.13 C ATOM 620 NZ LYS A 41 -15.206 13.535 0.033 1.00 3.24 N ATOM 0 H LYS A 41 -17.447 9.004 -2.563 1.00 75.12 H new ATOM 0 HA LYS A 41 -18.114 9.215 0.267 1.00 51.21 H new ATOM 0 HB2 LYS A 41 -18.748 10.920 -2.200 1.00 11.34 H new ATOM 0 HB3 LYS A 41 -19.484 11.240 -0.642 1.00 11.34 H new ATOM 0 HG2 LYS A 41 -16.966 11.132 0.235 1.00 31.33 H new ATOM 0 HG3 LYS A 41 -16.571 11.448 -1.443 1.00 31.33 H new ATOM 0 HD2 LYS A 41 -17.532 13.597 -1.414 1.00 34.40 H new ATOM 0 HD3 LYS A 41 -18.617 13.215 -0.093 1.00 34.40 H new ATOM 0 HE2 LYS A 41 -16.833 14.666 0.737 1.00 15.13 H new ATOM 0 HE3 LYS A 41 -16.674 13.082 1.469 1.00 15.13 H new ATOM 0 HZ1 LYS A 41 -14.571 14.034 0.689 1.00 3.24 H new ATOM 0 HZ2 LYS A 41 -14.923 12.536 -0.030 1.00 3.24 H new ATOM 0 HZ3 LYS A 41 -15.144 13.972 -0.909 1.00 3.24 H new ATOM 634 N GLN A 42 -20.097 7.960 -1.931 1.00 54.41 N ATOM 635 CA GLN A 42 -21.440 7.568 -2.294 1.00 42.15 C ATOM 636 C GLN A 42 -21.656 6.118 -1.893 1.00 52.02 C ATOM 637 O GLN A 42 -22.727 5.818 -1.369 1.00 1.40 O ATOM 638 CB GLN A 42 -21.688 7.873 -3.761 1.00 54.15 C ATOM 639 CG GLN A 42 -21.350 9.340 -4.099 1.00 35.53 C ATOM 640 CD GLN A 42 -21.632 9.728 -5.544 1.00 12.24 C ATOM 641 OE1 GLN A 42 -20.796 10.348 -6.189 1.00 40.03 O ATOM 642 NE2 GLN A 42 -22.814 9.451 -6.049 1.00 24.41 N ATOM 0 H GLN A 42 -19.376 7.613 -2.564 1.00 54.41 H new ATOM 0 HA GLN A 42 -22.189 8.147 -1.753 1.00 42.15 H new ATOM 0 HB2 GLN A 42 -21.085 7.208 -4.379 1.00 54.15 H new ATOM 0 HB3 GLN A 42 -22.732 7.674 -4.004 1.00 54.15 H new ATOM 0 HG2 GLN A 42 -21.922 9.994 -3.441 1.00 35.53 H new ATOM 0 HG3 GLN A 42 -20.296 9.517 -3.886 1.00 35.53 H new ATOM 0 HE21 GLN A 42 -23.497 8.933 -5.495 1.00 24.41 H new ATOM 0 HE22 GLN A 42 -23.048 9.754 -6.994 1.00 24.41 H new ATOM 651 N THR A 43 -20.635 5.262 -2.015 1.00 41.12 N ATOM 652 CA THR A 43 -20.691 3.884 -1.526 1.00 44.35 C ATOM 653 C THR A 43 -19.904 3.721 -0.212 1.00 13.01 C ATOM 654 O THR A 43 -20.049 2.700 0.461 1.00 55.35 O ATOM 655 CB THR A 43 -20.195 2.938 -2.634 1.00 62.54 C ATOM 656 OG1 THR A 43 -20.365 1.595 -2.277 1.00 51.03 O ATOM 657 CG2 THR A 43 -18.799 3.263 -3.167 1.00 64.45 C ATOM 0 H THR A 43 -19.748 5.507 -2.456 1.00 41.12 H new ATOM 0 HA THR A 43 -21.722 3.622 -1.288 1.00 44.35 H new ATOM 0 HB THR A 43 -20.839 3.119 -3.494 1.00 62.54 H new ATOM 0 HG1 THR A 43 -20.319 1.507 -1.302 1.00 51.03 H new ATOM 0 HG21 THR A 43 -18.530 2.547 -3.944 1.00 64.45 H new ATOM 0 HG22 THR A 43 -18.794 4.270 -3.585 1.00 64.45 H new ATOM 0 HG23 THR A 43 -18.076 3.204 -2.353 1.00 64.45 H new ATOM 665 N GLN A 44 -19.051 4.688 0.170 1.00 13.12 N ATOM 666 CA GLN A 44 -18.068 4.572 1.259 1.00 12.42 C ATOM 667 C GLN A 44 -16.900 3.636 0.948 1.00 44.11 C ATOM 668 O GLN A 44 -15.962 3.604 1.748 1.00 75.52 O ATOM 669 CB GLN A 44 -18.674 4.276 2.649 1.00 35.50 C ATOM 670 CG GLN A 44 -19.899 5.115 3.022 1.00 43.41 C ATOM 671 CD GLN A 44 -19.647 6.613 2.874 1.00 63.14 C ATOM 672 OE1 GLN A 44 -18.566 7.122 3.181 1.00 62.14 O ATOM 673 NE2 GLN A 44 -20.623 7.323 2.345 1.00 53.43 N ATOM 0 H GLN A 44 -19.027 5.600 -0.286 1.00 13.12 H new ATOM 0 HA GLN A 44 -17.656 5.579 1.320 1.00 12.42 H new ATOM 0 HB2 GLN A 44 -18.950 3.222 2.690 1.00 35.50 H new ATOM 0 HB3 GLN A 44 -17.903 4.433 3.404 1.00 35.50 H new ATOM 0 HG2 GLN A 44 -20.739 4.827 2.390 1.00 43.41 H new ATOM 0 HG3 GLN A 44 -20.185 4.898 4.051 1.00 43.41 H new ATOM 0 HE21 GLN A 44 -21.506 6.874 2.101 1.00 53.43 H new ATOM 0 HE22 GLN A 44 -20.495 8.321 2.179 1.00 53.43 H new ATOM 682 N LEU A 45 -16.958 2.817 -0.109 1.00 4.43 N ATOM 683 CA LEU A 45 -15.856 1.907 -0.436 1.00 21.32 C ATOM 684 C LEU A 45 -14.547 2.652 -0.617 1.00 2.21 C ATOM 685 O LEU A 45 -14.552 3.769 -1.107 1.00 62.32 O ATOM 686 CB LEU A 45 -16.096 1.216 -1.772 1.00 63.13 C ATOM 687 CG LEU A 45 -17.398 0.426 -1.854 1.00 53.13 C ATOM 688 CD1 LEU A 45 -17.541 -0.157 -3.259 1.00 42.33 C ATOM 689 CD2 LEU A 45 -17.514 -0.612 -0.729 1.00 35.31 C ATOM 0 H LEU A 45 -17.751 2.766 -0.748 1.00 4.43 H new ATOM 0 HA LEU A 45 -15.806 1.201 0.393 1.00 21.32 H new ATOM 0 HB2 LEU A 45 -16.093 1.968 -2.561 1.00 63.13 H new ATOM 0 HB3 LEU A 45 -15.264 0.541 -1.972 1.00 63.13 H new ATOM 0 HG LEU A 45 -18.244 1.093 -1.690 1.00 53.13 H new ATOM 0 HD11 LEU A 45 -18.470 -0.723 -3.325 1.00 42.33 H new ATOM 0 HD12 LEU A 45 -17.557 0.652 -3.989 1.00 42.33 H new ATOM 0 HD13 LEU A 45 -16.698 -0.817 -3.467 1.00 42.33 H new ATOM 0 HD21 LEU A 45 -18.456 -1.151 -0.827 1.00 35.31 H new ATOM 0 HD22 LEU A 45 -16.685 -1.316 -0.797 1.00 35.31 H new ATOM 0 HD23 LEU A 45 -17.483 -0.107 0.237 1.00 35.31 H new ATOM 701 N ASN A 46 -13.418 2.018 -0.331 1.00 13.31 N ATOM 702 CA ASN A 46 -12.105 2.556 -0.656 1.00 43.01 C ATOM 703 C ASN A 46 -11.976 2.668 -2.188 1.00 61.11 C ATOM 704 O ASN A 46 -12.705 2.031 -2.941 1.00 32.54 O ATOM 705 CB ASN A 46 -10.959 1.720 -0.072 1.00 32.22 C ATOM 706 CG ASN A 46 -10.627 0.431 -0.798 1.00 44.03 C ATOM 707 OD1 ASN A 46 -10.071 0.484 -1.887 1.00 60.21 O ATOM 708 ND2 ASN A 46 -10.808 -0.719 -0.188 1.00 54.40 N ATOM 0 H ASN A 46 -13.388 1.111 0.135 1.00 13.31 H new ATOM 0 HA ASN A 46 -12.022 3.542 -0.199 1.00 43.01 H new ATOM 0 HB2 ASN A 46 -10.062 2.339 -0.048 1.00 32.22 H new ATOM 0 HB3 ASN A 46 -11.206 1.476 0.961 1.00 32.22 H new ATOM 0 HD21 ASN A 46 -10.483 -1.583 -0.622 1.00 54.40 H new ATOM 0 HD22 ASN A 46 -11.273 -0.747 0.719 1.00 54.40 H new ATOM 715 N ARG A 47 -11.035 3.479 -2.667 1.00 12.34 N ATOM 716 CA ARG A 47 -10.899 3.827 -4.097 1.00 11.32 C ATOM 717 C ARG A 47 -10.277 2.722 -4.967 1.00 32.11 C ATOM 718 O ARG A 47 -10.211 2.862 -6.186 1.00 54.41 O ATOM 719 CB ARG A 47 -10.219 5.194 -4.303 1.00 72.42 C ATOM 720 CG ARG A 47 -11.001 6.343 -3.640 1.00 0.32 C ATOM 721 CD ARG A 47 -11.008 7.665 -4.426 1.00 2.02 C ATOM 722 NE ARG A 47 -9.679 8.249 -4.689 1.00 41.43 N ATOM 723 CZ ARG A 47 -9.503 9.450 -5.268 1.00 22.10 C ATOM 724 NH1 ARG A 47 -10.545 10.205 -5.602 1.00 73.43 N ATOM 725 NH2 ARG A 47 -8.283 9.913 -5.512 1.00 43.11 N ATOM 0 H ARG A 47 -10.333 3.923 -2.074 1.00 12.34 H new ATOM 0 HA ARG A 47 -11.922 3.918 -4.461 1.00 11.32 H new ATOM 0 HB2 ARG A 47 -9.210 5.160 -3.893 1.00 72.42 H new ATOM 0 HB3 ARG A 47 -10.123 5.392 -5.371 1.00 72.42 H new ATOM 0 HG2 ARG A 47 -12.032 6.022 -3.490 1.00 0.32 H new ATOM 0 HG3 ARG A 47 -10.578 6.527 -2.652 1.00 0.32 H new ATOM 0 HD2 ARG A 47 -11.509 7.499 -5.380 1.00 2.02 H new ATOM 0 HD3 ARG A 47 -11.604 8.393 -3.875 1.00 2.02 H new ATOM 0 HE ARG A 47 -8.853 7.716 -4.418 1.00 41.43 H new ATOM 0 HH11 ARG A 47 -11.493 9.875 -5.420 1.00 73.43 H new ATOM 0 HH12 ARG A 47 -10.397 11.114 -6.041 1.00 73.43 H new ATOM 0 HH21 ARG A 47 -7.466 9.356 -5.260 1.00 43.11 H new ATOM 0 HH22 ARG A 47 -8.162 10.825 -5.952 1.00 43.11 H new ATOM 739 N GLY A 48 -9.691 1.698 -4.353 1.00 53.43 N ATOM 740 CA GLY A 48 -9.044 0.565 -5.005 1.00 71.10 C ATOM 741 C GLY A 48 -7.525 0.728 -5.099 1.00 71.40 C ATOM 742 O GLY A 48 -6.837 -0.059 -5.752 1.00 44.34 O ATOM 0 H GLY A 48 -9.653 1.633 -3.336 1.00 53.43 H new ATOM 0 HA2 GLY A 48 -9.274 -0.347 -4.454 1.00 71.10 H new ATOM 0 HA3 GLY A 48 -9.455 0.444 -6.007 1.00 71.10 H new ATOM 746 N PHE A 49 -6.972 1.692 -4.365 1.00 1.03 N ATOM 747 CA PHE A 49 -5.552 1.985 -4.272 1.00 13.24 C ATOM 748 C PHE A 49 -5.276 2.624 -2.915 1.00 53.41 C ATOM 749 O PHE A 49 -6.205 3.036 -2.202 1.00 4.13 O ATOM 750 CB PHE A 49 -5.109 2.865 -5.450 1.00 44.04 C ATOM 751 CG PHE A 49 -5.939 4.100 -5.721 1.00 21.51 C ATOM 752 CD1 PHE A 49 -5.536 5.345 -5.207 1.00 64.33 C ATOM 753 CD2 PHE A 49 -7.079 4.012 -6.540 1.00 62.52 C ATOM 754 CE1 PHE A 49 -6.275 6.501 -5.513 1.00 23.55 C ATOM 755 CE2 PHE A 49 -7.820 5.166 -6.835 1.00 75.24 C ATOM 756 CZ PHE A 49 -7.413 6.412 -6.333 1.00 40.44 C ATOM 0 H PHE A 49 -7.536 2.319 -3.791 1.00 1.03 H new ATOM 0 HA PHE A 49 -4.964 1.070 -4.340 1.00 13.24 H new ATOM 0 HB2 PHE A 49 -4.080 3.178 -5.274 1.00 44.04 H new ATOM 0 HB3 PHE A 49 -5.106 2.252 -6.351 1.00 44.04 H new ATOM 0 HD1 PHE A 49 -4.660 5.413 -4.578 1.00 64.33 H new ATOM 0 HD2 PHE A 49 -7.384 3.057 -6.941 1.00 62.52 H new ATOM 0 HE1 PHE A 49 -5.968 7.458 -5.118 1.00 23.55 H new ATOM 0 HE2 PHE A 49 -8.705 5.096 -7.450 1.00 75.24 H new ATOM 0 HZ PHE A 49 -7.974 7.302 -6.577 1.00 40.44 H new ATOM 766 N ALA A 50 -4.004 2.692 -2.536 1.00 3.35 N ATOM 767 CA ALA A 50 -3.548 3.357 -1.326 1.00 13.04 C ATOM 768 C ALA A 50 -2.122 3.860 -1.528 1.00 75.12 C ATOM 769 O ALA A 50 -1.466 3.466 -2.490 1.00 12.14 O ATOM 770 CB ALA A 50 -3.643 2.403 -0.130 1.00 23.34 C ATOM 0 H ALA A 50 -3.246 2.276 -3.076 1.00 3.35 H new ATOM 0 HA ALA A 50 -4.187 4.214 -1.115 1.00 13.04 H new ATOM 0 HB1 ALA A 50 -3.299 2.912 0.770 1.00 23.34 H new ATOM 0 HB2 ALA A 50 -4.678 2.089 0.004 1.00 23.34 H new ATOM 0 HB3 ALA A 50 -3.020 1.528 -0.312 1.00 23.34 H new ATOM 776 N PHE A 51 -1.641 4.701 -0.616 1.00 22.21 N ATOM 777 CA PHE A 51 -0.333 5.337 -0.704 1.00 71.44 C ATOM 778 C PHE A 51 0.344 5.147 0.645 1.00 61.42 C ATOM 779 O PHE A 51 -0.087 5.743 1.630 1.00 20.42 O ATOM 780 CB PHE A 51 -0.482 6.829 -1.036 1.00 54.33 C ATOM 781 CG PHE A 51 -1.304 7.164 -2.259 1.00 53.22 C ATOM 782 CD1 PHE A 51 -2.704 7.273 -2.150 1.00 71.20 C ATOM 783 CD2 PHE A 51 -0.675 7.424 -3.487 1.00 53.44 C ATOM 784 CE1 PHE A 51 -3.478 7.615 -3.269 1.00 71.12 C ATOM 785 CE2 PHE A 51 -1.450 7.765 -4.607 1.00 40.23 C ATOM 786 CZ PHE A 51 -2.849 7.848 -4.505 1.00 72.12 C ATOM 0 H PHE A 51 -2.161 4.964 0.221 1.00 22.21 H new ATOM 0 HA PHE A 51 0.265 4.891 -1.499 1.00 71.44 H new ATOM 0 HB2 PHE A 51 -0.929 7.328 -0.176 1.00 54.33 H new ATOM 0 HB3 PHE A 51 0.514 7.251 -1.167 1.00 54.33 H new ATOM 0 HD1 PHE A 51 -3.184 7.092 -1.200 1.00 71.20 H new ATOM 0 HD2 PHE A 51 0.400 7.362 -3.570 1.00 53.44 H new ATOM 0 HE1 PHE A 51 -4.551 7.699 -3.182 1.00 71.12 H new ATOM 0 HE2 PHE A 51 -0.968 7.965 -5.553 1.00 40.23 H new ATOM 0 HZ PHE A 51 -3.441 8.091 -5.375 1.00 72.12 H new ATOM 796 N ILE A 52 1.354 4.289 0.713 1.00 31.53 N ATOM 797 CA ILE A 52 2.234 4.150 1.864 1.00 60.10 C ATOM 798 C ILE A 52 3.153 5.375 1.879 1.00 64.20 C ATOM 799 O ILE A 52 3.720 5.742 0.843 1.00 13.34 O ATOM 800 CB ILE A 52 3.034 2.828 1.759 1.00 14.14 C ATOM 801 CG1 ILE A 52 2.115 1.589 1.611 1.00 62.22 C ATOM 802 CG2 ILE A 52 4.002 2.660 2.944 1.00 75.30 C ATOM 803 CD1 ILE A 52 2.839 0.340 1.090 1.00 62.20 C ATOM 0 H ILE A 52 1.589 3.655 -0.051 1.00 31.53 H new ATOM 0 HA ILE A 52 1.671 4.104 2.797 1.00 60.10 H new ATOM 0 HB ILE A 52 3.625 2.896 0.846 1.00 14.14 H new ATOM 0 HG12 ILE A 52 1.669 1.362 2.579 1.00 62.22 H new ATOM 0 HG13 ILE A 52 1.298 1.833 0.933 1.00 62.22 H new ATOM 0 HG21 ILE A 52 4.547 1.722 2.838 1.00 75.30 H new ATOM 0 HG22 ILE A 52 4.708 3.490 2.958 1.00 75.30 H new ATOM 0 HG23 ILE A 52 3.437 2.648 3.876 1.00 75.30 H new ATOM 0 HD11 ILE A 52 2.131 -0.485 1.013 1.00 62.20 H new ATOM 0 HD12 ILE A 52 3.262 0.548 0.107 1.00 62.20 H new ATOM 0 HD13 ILE A 52 3.639 0.069 1.779 1.00 62.20 H new ATOM 815 N GLN A 53 3.315 6.003 3.041 1.00 24.23 N ATOM 816 CA GLN A 53 4.370 6.953 3.340 1.00 33.35 C ATOM 817 C GLN A 53 5.214 6.266 4.405 1.00 12.32 C ATOM 818 O GLN A 53 4.900 6.347 5.597 1.00 21.41 O ATOM 819 CB GLN A 53 3.801 8.300 3.830 1.00 44.01 C ATOM 820 CG GLN A 53 3.425 9.292 2.721 1.00 43.03 C ATOM 821 CD GLN A 53 2.048 9.049 2.116 1.00 72.12 C ATOM 822 OE1 GLN A 53 1.075 9.732 2.418 1.00 3.14 O ATOM 823 NE2 GLN A 53 1.919 8.112 1.195 1.00 11.31 N ATOM 0 H GLN A 53 2.685 5.854 3.829 1.00 24.23 H new ATOM 0 HA GLN A 53 4.959 7.206 2.458 1.00 33.35 H new ATOM 0 HB2 GLN A 53 2.916 8.104 4.435 1.00 44.01 H new ATOM 0 HB3 GLN A 53 4.536 8.771 4.483 1.00 44.01 H new ATOM 0 HG2 GLN A 53 3.460 10.304 3.125 1.00 43.03 H new ATOM 0 HG3 GLN A 53 4.173 9.238 1.930 1.00 43.03 H new ATOM 0 HE21 GLN A 53 2.721 7.538 0.936 1.00 11.31 H new ATOM 0 HE22 GLN A 53 1.017 7.962 0.743 1.00 11.31 H new ATOM 832 N LEU A 54 6.233 5.530 3.969 1.00 75.22 N ATOM 833 CA LEU A 54 7.326 5.095 4.828 1.00 43.14 C ATOM 834 C LEU A 54 8.316 6.255 4.959 1.00 2.21 C ATOM 835 O LEU A 54 8.110 7.326 4.379 1.00 35.44 O ATOM 836 CB LEU A 54 7.978 3.818 4.250 1.00 14.35 C ATOM 837 CG LEU A 54 7.446 2.514 4.872 1.00 44.22 C ATOM 838 CD1 LEU A 54 8.082 1.313 4.161 1.00 34.33 C ATOM 839 CD2 LEU A 54 7.733 2.430 6.379 1.00 43.41 C ATOM 0 H LEU A 54 6.322 5.217 3.002 1.00 75.22 H new ATOM 0 HA LEU A 54 6.965 4.834 5.823 1.00 43.14 H new ATOM 0 HB2 LEU A 54 7.811 3.791 3.173 1.00 14.35 H new ATOM 0 HB3 LEU A 54 9.056 3.870 4.404 1.00 14.35 H new ATOM 0 HG LEU A 54 6.364 2.503 4.743 1.00 44.22 H new ATOM 0 HD11 LEU A 54 7.706 0.389 4.601 1.00 34.33 H new ATOM 0 HD12 LEU A 54 7.827 1.341 3.102 1.00 34.33 H new ATOM 0 HD13 LEU A 54 9.165 1.355 4.275 1.00 34.33 H new ATOM 0 HD21 LEU A 54 7.339 1.493 6.773 1.00 43.41 H new ATOM 0 HD22 LEU A 54 8.809 2.470 6.547 1.00 43.41 H new ATOM 0 HD23 LEU A 54 7.255 3.267 6.888 1.00 43.41 H new ATOM 851 N SER A 55 9.389 6.070 5.731 1.00 52.24 N ATOM 852 CA SER A 55 10.531 6.968 5.637 1.00 60.42 C ATOM 853 C SER A 55 11.273 6.717 4.320 1.00 15.24 C ATOM 854 O SER A 55 10.975 5.759 3.611 1.00 13.44 O ATOM 855 CB SER A 55 11.455 6.779 6.838 1.00 54.30 C ATOM 856 OG SER A 55 12.190 7.972 7.046 1.00 62.21 O ATOM 0 H SER A 55 9.487 5.320 6.415 1.00 52.24 H new ATOM 0 HA SER A 55 10.183 8.001 5.647 1.00 60.42 H new ATOM 0 HB2 SER A 55 10.873 6.536 7.727 1.00 54.30 H new ATOM 0 HB3 SER A 55 12.134 5.944 6.663 1.00 54.30 H new ATOM 0 HG SER A 55 12.785 7.860 7.817 1.00 62.21 H new ATOM 862 N THR A 56 12.263 7.553 4.017 1.00 34.53 N ATOM 863 CA THR A 56 13.012 7.520 2.771 1.00 73.54 C ATOM 864 C THR A 56 13.684 6.160 2.573 1.00 24.22 C ATOM 865 O THR A 56 13.323 5.381 1.693 1.00 24.43 O ATOM 866 CB THR A 56 14.005 8.698 2.756 1.00 22.45 C ATOM 867 OG1 THR A 56 14.828 8.714 3.916 1.00 32.12 O ATOM 868 CG2 THR A 56 13.266 10.037 2.752 1.00 44.00 C ATOM 0 H THR A 56 12.572 8.290 4.651 1.00 34.53 H new ATOM 0 HA THR A 56 12.339 7.640 1.922 1.00 73.54 H new ATOM 0 HB THR A 56 14.606 8.564 1.856 1.00 22.45 H new ATOM 0 HG1 THR A 56 15.445 9.474 3.869 1.00 32.12 H new ATOM 0 HG21 THR A 56 13.990 10.852 2.741 1.00 44.00 H new ATOM 0 HG22 THR A 56 12.634 10.101 1.866 1.00 44.00 H new ATOM 0 HG23 THR A 56 12.647 10.113 3.646 1.00 44.00 H new ATOM 876 N ILE A 57 14.656 5.858 3.432 1.00 11.35 N ATOM 877 CA ILE A 57 15.458 4.647 3.353 1.00 34.34 C ATOM 878 C ILE A 57 14.556 3.428 3.563 1.00 32.13 C ATOM 879 O ILE A 57 14.717 2.421 2.879 1.00 23.12 O ATOM 880 CB ILE A 57 16.597 4.688 4.394 1.00 44.23 C ATOM 881 CG1 ILE A 57 17.291 6.063 4.555 1.00 60.42 C ATOM 882 CG2 ILE A 57 17.624 3.599 4.065 1.00 24.14 C ATOM 883 CD1 ILE A 57 17.804 6.715 3.264 1.00 23.13 C ATOM 0 H ILE A 57 14.910 6.461 4.215 1.00 11.35 H new ATOM 0 HA ILE A 57 15.917 4.575 2.367 1.00 34.34 H new ATOM 0 HB ILE A 57 16.129 4.502 5.361 1.00 44.23 H new ATOM 0 HG12 ILE A 57 16.589 6.748 5.030 1.00 60.42 H new ATOM 0 HG13 ILE A 57 18.132 5.945 5.238 1.00 60.42 H new ATOM 0 HG21 ILE A 57 18.430 3.625 4.798 1.00 24.14 H new ATOM 0 HG22 ILE A 57 17.140 2.623 4.092 1.00 24.14 H new ATOM 0 HG23 ILE A 57 18.033 3.774 3.070 1.00 24.14 H new ATOM 0 HD11 ILE A 57 18.270 7.672 3.500 1.00 23.13 H new ATOM 0 HD12 ILE A 57 18.537 6.061 2.792 1.00 23.13 H new ATOM 0 HD13 ILE A 57 16.970 6.876 2.582 1.00 23.13 H new ATOM 895 N GLU A 58 13.595 3.547 4.484 1.00 44.42 N ATOM 896 CA GLU A 58 12.636 2.506 4.814 1.00 14.35 C ATOM 897 C GLU A 58 11.893 2.065 3.550 1.00 54.03 C ATOM 898 O GLU A 58 11.835 0.873 3.249 1.00 62.34 O ATOM 899 CB GLU A 58 11.636 3.000 5.866 1.00 62.30 C ATOM 900 CG GLU A 58 12.240 3.379 7.220 1.00 44.24 C ATOM 901 CD GLU A 58 12.481 2.192 8.149 1.00 64.33 C ATOM 902 OE1 GLU A 58 11.838 2.150 9.225 1.00 55.43 O ATOM 903 OE2 GLU A 58 13.320 1.322 7.834 1.00 24.52 O ATOM 0 H GLU A 58 13.465 4.397 5.032 1.00 44.42 H new ATOM 0 HA GLU A 58 13.177 1.656 5.229 1.00 14.35 H new ATOM 0 HB2 GLU A 58 11.112 3.868 5.465 1.00 62.30 H new ATOM 0 HB3 GLU A 58 10.889 2.223 6.026 1.00 62.30 H new ATOM 0 HG2 GLU A 58 13.186 3.893 7.052 1.00 44.24 H new ATOM 0 HG3 GLU A 58 11.576 4.086 7.717 1.00 44.24 H new ATOM 910 N ALA A 59 11.325 3.027 2.812 1.00 0.42 N ATOM 911 CA ALA A 59 10.599 2.792 1.575 1.00 0.02 C ATOM 912 C ALA A 59 11.533 2.189 0.532 1.00 12.01 C ATOM 913 O ALA A 59 11.197 1.174 -0.074 1.00 44.41 O ATOM 914 CB ALA A 59 10.018 4.110 1.044 1.00 12.33 C ATOM 0 H ALA A 59 11.363 4.012 3.072 1.00 0.42 H new ATOM 0 HA ALA A 59 9.783 2.097 1.774 1.00 0.02 H new ATOM 0 HB1 ALA A 59 9.476 3.922 0.117 1.00 12.33 H new ATOM 0 HB2 ALA A 59 9.337 4.531 1.783 1.00 12.33 H new ATOM 0 HB3 ALA A 59 10.828 4.814 0.854 1.00 12.33 H new ATOM 920 N ALA A 60 12.689 2.823 0.323 1.00 43.33 N ATOM 921 CA ALA A 60 13.635 2.455 -0.714 1.00 52.23 C ATOM 922 C ALA A 60 14.067 0.999 -0.564 1.00 13.25 C ATOM 923 O ALA A 60 14.008 0.236 -1.527 1.00 55.00 O ATOM 924 CB ALA A 60 14.842 3.399 -0.667 1.00 15.01 C ATOM 0 H ALA A 60 12.992 3.619 0.883 1.00 43.33 H new ATOM 0 HA ALA A 60 13.153 2.553 -1.687 1.00 52.23 H new ATOM 0 HB1 ALA A 60 15.552 3.121 -1.446 1.00 15.01 H new ATOM 0 HB2 ALA A 60 14.509 4.424 -0.828 1.00 15.01 H new ATOM 0 HB3 ALA A 60 15.325 3.324 0.307 1.00 15.01 H new ATOM 930 N GLN A 61 14.519 0.616 0.635 1.00 55.02 N ATOM 931 CA GLN A 61 14.922 -0.754 0.915 1.00 14.33 C ATOM 932 C GLN A 61 13.738 -1.688 0.678 1.00 14.22 C ATOM 933 O GLN A 61 13.860 -2.597 -0.138 1.00 73.54 O ATOM 934 CB GLN A 61 15.462 -0.895 2.346 1.00 63.42 C ATOM 935 CG GLN A 61 16.836 -0.232 2.543 1.00 53.24 C ATOM 936 CD GLN A 61 17.456 -0.553 3.904 1.00 14.02 C ATOM 937 OE1 GLN A 61 18.666 -0.764 4.007 1.00 75.40 O ATOM 938 NE2 GLN A 61 16.675 -0.579 4.973 1.00 0.32 N ATOM 0 H GLN A 61 14.613 1.248 1.430 1.00 55.02 H new ATOM 0 HA GLN A 61 15.732 -1.029 0.240 1.00 14.33 H new ATOM 0 HB2 GLN A 61 14.749 -0.452 3.042 1.00 63.42 H new ATOM 0 HB3 GLN A 61 15.537 -1.953 2.597 1.00 63.42 H new ATOM 0 HG2 GLN A 61 17.511 -0.563 1.754 1.00 53.24 H new ATOM 0 HG3 GLN A 61 16.732 0.848 2.441 1.00 53.24 H new ATOM 0 HE21 GLN A 61 15.675 -0.403 4.878 1.00 0.32 H new ATOM 0 HE22 GLN A 61 17.074 -0.775 5.891 1.00 0.32 H new ATOM 947 N LEU A 62 12.601 -1.446 1.340 1.00 21.14 N ATOM 948 CA LEU A 62 11.433 -2.320 1.293 1.00 52.23 C ATOM 949 C LEU A 62 11.022 -2.590 -0.145 1.00 60.14 C ATOM 950 O LEU A 62 10.814 -3.748 -0.507 1.00 15.23 O ATOM 951 CB LEU A 62 10.291 -1.702 2.115 1.00 15.05 C ATOM 952 CG LEU A 62 8.974 -2.500 2.214 1.00 4.42 C ATOM 953 CD1 LEU A 62 8.051 -2.356 1.002 1.00 52.00 C ATOM 954 CD2 LEU A 62 9.185 -3.976 2.578 1.00 2.12 C ATOM 0 H LEU A 62 12.469 -0.625 1.931 1.00 21.14 H new ATOM 0 HA LEU A 62 11.683 -3.284 1.737 1.00 52.23 H new ATOM 0 HB2 LEU A 62 10.658 -1.532 3.127 1.00 15.05 H new ATOM 0 HB3 LEU A 62 10.061 -0.725 1.691 1.00 15.05 H new ATOM 0 HG LEU A 62 8.452 -2.029 3.047 1.00 4.42 H new ATOM 0 HD11 LEU A 62 7.150 -2.950 1.158 1.00 52.00 H new ATOM 0 HD12 LEU A 62 7.777 -1.309 0.875 1.00 52.00 H new ATOM 0 HD13 LEU A 62 8.567 -2.707 0.108 1.00 52.00 H new ATOM 0 HD21 LEU A 62 8.220 -4.479 2.631 1.00 2.12 H new ATOM 0 HD22 LEU A 62 9.802 -4.454 1.817 1.00 2.12 H new ATOM 0 HD23 LEU A 62 9.684 -4.045 3.545 1.00 2.12 H new ATOM 966 N LEU A 63 10.923 -1.541 -0.967 1.00 34.54 N ATOM 967 CA LEU A 63 10.527 -1.664 -2.358 1.00 35.14 C ATOM 968 C LEU A 63 11.464 -2.636 -3.080 1.00 21.13 C ATOM 969 O LEU A 63 10.995 -3.606 -3.672 1.00 42.24 O ATOM 970 CB LEU A 63 10.549 -0.281 -3.033 1.00 33.33 C ATOM 971 CG LEU A 63 9.988 -0.326 -4.470 1.00 51.43 C ATOM 972 CD1 LEU A 63 8.472 -0.080 -4.476 1.00 74.53 C ATOM 973 CD2 LEU A 63 10.690 0.711 -5.347 1.00 40.42 C ATOM 0 H LEU A 63 11.118 -0.583 -0.678 1.00 34.54 H new ATOM 0 HA LEU A 63 9.512 -2.057 -2.412 1.00 35.14 H new ATOM 0 HB2 LEU A 63 9.965 0.421 -2.438 1.00 33.33 H new ATOM 0 HB3 LEU A 63 11.572 0.094 -3.056 1.00 33.33 H new ATOM 0 HG LEU A 63 10.176 -1.320 -4.875 1.00 51.43 H new ATOM 0 HD11 LEU A 63 8.101 -0.117 -5.500 1.00 74.53 H new ATOM 0 HD12 LEU A 63 7.976 -0.849 -3.883 1.00 74.53 H new ATOM 0 HD13 LEU A 63 8.261 0.900 -4.049 1.00 74.53 H new ATOM 0 HD21 LEU A 63 10.284 0.668 -6.358 1.00 40.42 H new ATOM 0 HD22 LEU A 63 10.528 1.706 -4.933 1.00 40.42 H new ATOM 0 HD23 LEU A 63 11.759 0.499 -5.376 1.00 40.42 H new ATOM 985 N GLN A 64 12.774 -2.379 -3.029 1.00 71.24 N ATOM 986 CA GLN A 64 13.771 -3.152 -3.764 1.00 62.33 C ATOM 987 C GLN A 64 13.817 -4.600 -3.267 1.00 60.21 C ATOM 988 O GLN A 64 14.034 -5.515 -4.063 1.00 4.01 O ATOM 989 CB GLN A 64 15.145 -2.474 -3.645 1.00 54.31 C ATOM 990 CG GLN A 64 15.194 -1.116 -4.317 1.00 53.10 C ATOM 991 CD GLN A 64 16.439 -0.311 -3.961 1.00 60.50 C ATOM 992 OE1 GLN A 64 17.553 -0.590 -4.398 1.00 54.32 O ATOM 993 NE2 GLN A 64 16.279 0.727 -3.165 1.00 35.42 N ATOM 0 H GLN A 64 13.172 -1.623 -2.472 1.00 71.24 H new ATOM 0 HA GLN A 64 13.490 -3.181 -4.817 1.00 62.33 H new ATOM 0 HB2 GLN A 64 15.399 -2.361 -2.591 1.00 54.31 H new ATOM 0 HB3 GLN A 64 15.903 -3.120 -4.088 1.00 54.31 H new ATOM 0 HG2 GLN A 64 15.154 -1.252 -5.398 1.00 53.10 H new ATOM 0 HG3 GLN A 64 14.309 -0.546 -4.035 1.00 53.10 H new ATOM 0 HE21 GLN A 64 15.353 0.955 -2.804 1.00 35.42 H new ATOM 0 HE22 GLN A 64 17.082 1.302 -2.910 1.00 35.42 H new ATOM 1002 N ILE A 65 13.590 -4.830 -1.971 1.00 52.30 N ATOM 1003 CA ILE A 65 13.377 -6.161 -1.408 1.00 34.34 C ATOM 1004 C ILE A 65 12.154 -6.819 -2.067 1.00 20.22 C ATOM 1005 O ILE A 65 12.317 -7.832 -2.748 1.00 72.22 O ATOM 1006 CB ILE A 65 13.369 -6.135 0.146 1.00 44.04 C ATOM 1007 CG1 ILE A 65 14.666 -5.540 0.748 1.00 13.11 C ATOM 1008 CG2 ILE A 65 13.119 -7.524 0.752 1.00 3.05 C ATOM 1009 CD1 ILE A 65 14.472 -5.028 2.182 1.00 34.43 C ATOM 0 H ILE A 65 13.549 -4.085 -1.276 1.00 52.30 H new ATOM 0 HA ILE A 65 14.222 -6.806 -1.648 1.00 34.34 H new ATOM 0 HB ILE A 65 12.539 -5.480 0.410 1.00 44.04 H new ATOM 0 HG12 ILE A 65 15.447 -6.300 0.740 1.00 13.11 H new ATOM 0 HG13 ILE A 65 15.012 -4.721 0.118 1.00 13.11 H new ATOM 0 HG21 ILE A 65 13.123 -7.452 1.840 1.00 3.05 H new ATOM 0 HG22 ILE A 65 12.152 -7.899 0.416 1.00 3.05 H new ATOM 0 HG23 ILE A 65 13.905 -8.208 0.431 1.00 3.05 H new ATOM 0 HD11 ILE A 65 15.413 -4.622 2.554 1.00 34.43 H new ATOM 0 HD12 ILE A 65 13.712 -4.247 2.190 1.00 34.43 H new ATOM 0 HD13 ILE A 65 14.154 -5.851 2.822 1.00 34.43 H new ATOM 1021 N LEU A 66 10.940 -6.271 -1.914 1.00 62.34 N ATOM 1022 CA LEU A 66 9.717 -6.880 -2.448 1.00 32.43 C ATOM 1023 C LEU A 66 9.813 -7.170 -3.943 1.00 74.21 C ATOM 1024 O LEU A 66 9.310 -8.200 -4.398 1.00 1.33 O ATOM 1025 CB LEU A 66 8.488 -5.986 -2.232 1.00 12.02 C ATOM 1026 CG LEU A 66 8.050 -5.759 -0.778 1.00 13.04 C ATOM 1027 CD1 LEU A 66 6.706 -5.027 -0.795 1.00 13.33 C ATOM 1028 CD2 LEU A 66 7.926 -7.050 0.035 1.00 1.24 C ATOM 0 H LEU A 66 10.780 -5.395 -1.417 1.00 62.34 H new ATOM 0 HA LEU A 66 9.606 -7.815 -1.898 1.00 32.43 H new ATOM 0 HB2 LEU A 66 8.690 -5.014 -2.683 1.00 12.02 H new ATOM 0 HB3 LEU A 66 7.650 -6.422 -2.776 1.00 12.02 H new ATOM 0 HG LEU A 66 8.824 -5.169 -0.287 1.00 13.04 H new ATOM 0 HD11 LEU A 66 6.373 -4.854 0.228 1.00 13.33 H new ATOM 0 HD12 LEU A 66 6.819 -4.071 -1.307 1.00 13.33 H new ATOM 0 HD13 LEU A 66 5.968 -5.634 -1.319 1.00 13.33 H new ATOM 0 HD21 LEU A 66 7.613 -6.811 1.051 1.00 1.24 H new ATOM 0 HD22 LEU A 66 7.186 -7.702 -0.429 1.00 1.24 H new ATOM 0 HD23 LEU A 66 8.891 -7.557 0.062 1.00 1.24 H new ATOM 1040 N GLN A 67 10.458 -6.286 -4.704 1.00 13.25 N ATOM 1041 CA GLN A 67 10.592 -6.404 -6.153 1.00 70.54 C ATOM 1042 C GLN A 67 11.671 -7.419 -6.563 1.00 43.22 C ATOM 1043 O GLN A 67 12.074 -7.467 -7.730 1.00 44.11 O ATOM 1044 CB GLN A 67 10.806 -5.024 -6.798 1.00 52.03 C ATOM 1045 CG GLN A 67 9.557 -4.133 -6.664 1.00 53.43 C ATOM 1046 CD GLN A 67 9.339 -3.190 -7.836 1.00 12.23 C ATOM 1047 OE1 GLN A 67 9.422 -3.569 -9.003 1.00 61.30 O ATOM 1048 NE2 GLN A 67 8.931 -1.967 -7.559 1.00 14.01 N ATOM 0 H GLN A 67 10.909 -5.454 -4.323 1.00 13.25 H new ATOM 0 HA GLN A 67 9.653 -6.802 -6.537 1.00 70.54 H new ATOM 0 HB2 GLN A 67 11.657 -4.531 -6.328 1.00 52.03 H new ATOM 0 HB3 GLN A 67 11.052 -5.149 -7.852 1.00 52.03 H new ATOM 0 HG2 GLN A 67 8.679 -4.770 -6.556 1.00 53.43 H new ATOM 0 HG3 GLN A 67 9.639 -3.546 -5.749 1.00 53.43 H new ATOM 0 HE21 GLN A 67 8.864 -1.659 -6.589 1.00 14.01 H new ATOM 0 HE22 GLN A 67 8.682 -1.329 -8.315 1.00 14.01 H new ATOM 1057 N ALA A 68 12.132 -8.265 -5.640 1.00 45.23 N ATOM 1058 CA ALA A 68 13.037 -9.368 -5.923 1.00 73.42 C ATOM 1059 C ALA A 68 12.438 -10.739 -5.610 1.00 11.22 C ATOM 1060 O ALA A 68 13.010 -11.733 -6.058 1.00 73.53 O ATOM 1061 CB ALA A 68 14.321 -9.174 -5.116 1.00 14.03 C ATOM 0 H ALA A 68 11.878 -8.196 -4.655 1.00 45.23 H new ATOM 0 HA ALA A 68 13.238 -9.354 -6.994 1.00 73.42 H new ATOM 0 HB1 ALA A 68 15.007 -9.996 -5.321 1.00 14.03 H new ATOM 0 HB2 ALA A 68 14.789 -8.231 -5.399 1.00 14.03 H new ATOM 0 HB3 ALA A 68 14.083 -9.156 -4.052 1.00 14.03 H new ATOM 1067 N LEU A 69 11.356 -10.818 -4.833 1.00 54.20 N ATOM 1068 CA LEU A 69 10.939 -12.023 -4.107 1.00 33.21 C ATOM 1069 C LEU A 69 9.480 -12.383 -4.409 1.00 72.20 C ATOM 1070 O LEU A 69 8.835 -11.691 -5.197 1.00 1.41 O ATOM 1071 CB LEU A 69 11.252 -11.832 -2.605 1.00 34.21 C ATOM 1072 CG LEU A 69 10.489 -10.683 -1.914 1.00 63.43 C ATOM 1073 CD1 LEU A 69 9.179 -11.115 -1.263 1.00 71.54 C ATOM 1074 CD2 LEU A 69 11.324 -10.069 -0.798 1.00 24.44 C ATOM 0 H LEU A 69 10.729 -10.027 -4.686 1.00 54.20 H new ATOM 0 HA LEU A 69 11.506 -12.889 -4.448 1.00 33.21 H new ATOM 0 HB2 LEU A 69 11.027 -12.762 -2.083 1.00 34.21 H new ATOM 0 HB3 LEU A 69 12.322 -11.655 -2.493 1.00 34.21 H new ATOM 0 HG LEU A 69 10.281 -9.977 -2.718 1.00 63.43 H new ATOM 0 HD11 LEU A 69 8.702 -10.252 -0.799 1.00 71.54 H new ATOM 0 HD12 LEU A 69 8.516 -11.532 -2.021 1.00 71.54 H new ATOM 0 HD13 LEU A 69 9.382 -11.870 -0.503 1.00 71.54 H new ATOM 0 HD21 LEU A 69 10.764 -9.261 -0.327 1.00 24.44 H new ATOM 0 HD22 LEU A 69 11.555 -10.832 -0.055 1.00 24.44 H new ATOM 0 HD23 LEU A 69 12.251 -9.674 -1.213 1.00 24.44 H new ATOM 1086 N HIS A 70 8.972 -13.468 -3.807 1.00 35.52 N ATOM 1087 CA HIS A 70 7.617 -13.987 -4.029 1.00 61.51 C ATOM 1088 C HIS A 70 6.542 -12.880 -4.014 1.00 34.11 C ATOM 1089 O HIS A 70 6.612 -11.945 -3.212 1.00 35.15 O ATOM 1090 CB HIS A 70 7.270 -15.068 -2.983 1.00 12.41 C ATOM 1091 CG HIS A 70 7.523 -16.477 -3.455 1.00 71.11 C ATOM 1092 ND1 HIS A 70 6.721 -17.195 -4.317 1.00 63.21 N ATOM 1093 CD2 HIS A 70 8.570 -17.283 -3.098 1.00 3.44 C ATOM 1094 CE1 HIS A 70 7.301 -18.387 -4.518 1.00 14.22 C ATOM 1095 NE2 HIS A 70 8.430 -18.491 -3.792 1.00 31.32 N ATOM 0 H HIS A 70 9.506 -14.021 -3.137 1.00 35.52 H new ATOM 0 HA HIS A 70 7.615 -14.428 -5.026 1.00 61.51 H new ATOM 0 HB2 HIS A 70 7.854 -14.887 -2.080 1.00 12.41 H new ATOM 0 HB3 HIS A 70 6.220 -14.970 -2.708 1.00 12.41 H new ATOM 0 HD2 HIS A 70 9.361 -17.033 -2.406 1.00 3.44 H new ATOM 0 HE1 HIS A 70 6.916 -19.156 -5.171 1.00 14.22 H new ATOM 0 HE2 HIS A 70 9.060 -19.292 -3.755 1.00 31.32 H new ATOM 1103 N PRO A 71 5.493 -12.994 -4.839 1.00 53.10 N ATOM 1104 CA PRO A 71 4.513 -11.930 -5.001 1.00 50.43 C ATOM 1105 C PRO A 71 3.657 -11.701 -3.743 1.00 62.20 C ATOM 1106 O PRO A 71 3.544 -12.593 -2.888 1.00 20.13 O ATOM 1107 CB PRO A 71 3.660 -12.346 -6.198 1.00 53.04 C ATOM 1108 CG PRO A 71 3.810 -13.863 -6.229 1.00 2.21 C ATOM 1109 CD PRO A 71 5.244 -14.074 -5.774 1.00 31.13 C ATOM 0 HA PRO A 71 5.008 -10.972 -5.164 1.00 50.43 H new ATOM 0 HB2 PRO A 71 2.619 -12.048 -6.073 1.00 53.04 H new ATOM 0 HB3 PRO A 71 4.014 -11.888 -7.122 1.00 53.04 H new ATOM 0 HG2 PRO A 71 3.099 -14.353 -5.563 1.00 2.21 H new ATOM 0 HG3 PRO A 71 3.640 -14.265 -7.228 1.00 2.21 H new ATOM 0 HD2 PRO A 71 5.370 -15.047 -5.299 1.00 31.13 H new ATOM 0 HD3 PRO A 71 5.936 -14.038 -6.615 1.00 31.13 H new ATOM 1117 N PRO A 72 3.018 -10.522 -3.635 1.00 51.23 N ATOM 1118 CA PRO A 72 2.274 -10.112 -2.452 1.00 53.00 C ATOM 1119 C PRO A 72 1.106 -11.045 -2.116 1.00 11.24 C ATOM 1120 O PRO A 72 0.335 -11.461 -2.986 1.00 13.45 O ATOM 1121 CB PRO A 72 1.805 -8.675 -2.706 1.00 53.44 C ATOM 1122 CG PRO A 72 2.007 -8.462 -4.198 1.00 73.52 C ATOM 1123 CD PRO A 72 3.138 -9.405 -4.561 1.00 20.55 C ATOM 0 HA PRO A 72 2.919 -10.166 -1.575 1.00 53.00 H new ATOM 0 HB2 PRO A 72 0.760 -8.544 -2.425 1.00 53.44 H new ATOM 0 HB3 PRO A 72 2.384 -7.960 -2.122 1.00 53.44 H new ATOM 0 HG2 PRO A 72 1.101 -8.692 -4.759 1.00 73.52 H new ATOM 0 HG3 PRO A 72 2.265 -7.427 -4.421 1.00 73.52 H new ATOM 0 HD2 PRO A 72 3.054 -9.740 -5.595 1.00 20.55 H new ATOM 0 HD3 PRO A 72 4.106 -8.914 -4.462 1.00 20.55 H new ATOM 1131 N LEU A 73 0.931 -11.303 -0.819 1.00 72.23 N ATOM 1132 CA LEU A 73 -0.070 -12.168 -0.212 1.00 61.31 C ATOM 1133 C LEU A 73 -1.441 -11.487 -0.268 1.00 22.51 C ATOM 1134 O LEU A 73 -1.581 -10.324 0.108 1.00 4.02 O ATOM 1135 CB LEU A 73 0.412 -12.441 1.227 1.00 42.10 C ATOM 1136 CG LEU A 73 -0.234 -13.630 1.952 1.00 74.34 C ATOM 1137 CD1 LEU A 73 -1.646 -13.333 2.446 1.00 40.13 C ATOM 1138 CD2 LEU A 73 -0.238 -14.909 1.106 1.00 44.22 C ATOM 0 H LEU A 73 1.534 -10.877 -0.115 1.00 72.23 H new ATOM 0 HA LEU A 73 -0.186 -13.115 -0.739 1.00 61.31 H new ATOM 0 HB2 LEU A 73 1.490 -12.602 1.201 1.00 42.10 H new ATOM 0 HB3 LEU A 73 0.238 -11.544 1.821 1.00 42.10 H new ATOM 0 HG LEU A 73 0.398 -13.798 2.824 1.00 74.34 H new ATOM 0 HD11 LEU A 73 -2.048 -14.212 2.950 1.00 40.13 H new ATOM 0 HD12 LEU A 73 -1.619 -12.496 3.144 1.00 40.13 H new ATOM 0 HD13 LEU A 73 -2.282 -13.078 1.598 1.00 40.13 H new ATOM 0 HD21 LEU A 73 -0.707 -15.716 1.669 1.00 44.22 H new ATOM 0 HD22 LEU A 73 -0.797 -14.735 0.187 1.00 44.22 H new ATOM 0 HD23 LEU A 73 0.787 -15.186 0.860 1.00 44.22 H new ATOM 1150 N THR A 74 -2.423 -12.149 -0.870 1.00 75.31 N ATOM 1151 CA THR A 74 -3.789 -11.634 -1.031 1.00 20.45 C ATOM 1152 C THR A 74 -4.611 -11.899 0.238 1.00 52.34 C ATOM 1153 O THR A 74 -4.554 -12.991 0.791 1.00 11.45 O ATOM 1154 CB THR A 74 -4.472 -12.179 -2.304 1.00 71.40 C ATOM 1155 OG1 THR A 74 -5.880 -12.177 -2.168 1.00 75.23 O ATOM 1156 CG2 THR A 74 -4.075 -13.581 -2.744 1.00 34.12 C ATOM 0 H THR A 74 -2.295 -13.079 -1.270 1.00 75.31 H new ATOM 0 HA THR A 74 -3.730 -10.554 -1.169 1.00 20.45 H new ATOM 0 HB THR A 74 -4.117 -11.491 -3.071 1.00 71.40 H new ATOM 0 HG1 THR A 74 -6.261 -12.906 -2.700 1.00 75.23 H new ATOM 0 HG21 THR A 74 -4.623 -13.847 -3.648 1.00 34.12 H new ATOM 0 HG22 THR A 74 -3.004 -13.609 -2.947 1.00 34.12 H new ATOM 0 HG23 THR A 74 -4.313 -14.292 -1.953 1.00 34.12 H new ATOM 1164 N ILE A 75 -5.479 -10.956 0.626 1.00 72.34 N ATOM 1165 CA ILE A 75 -6.368 -11.081 1.780 1.00 31.13 C ATOM 1166 C ILE A 75 -7.774 -10.582 1.411 1.00 33.11 C ATOM 1167 O ILE A 75 -8.278 -9.657 2.043 1.00 2.33 O ATOM 1168 CB ILE A 75 -5.800 -10.358 3.035 1.00 64.34 C ATOM 1169 CG1 ILE A 75 -4.268 -10.241 3.133 1.00 0.32 C ATOM 1170 CG2 ILE A 75 -6.343 -11.082 4.273 1.00 40.30 C ATOM 1171 CD1 ILE A 75 -3.718 -9.051 2.334 1.00 72.50 C ATOM 0 H ILE A 75 -5.582 -10.068 0.134 1.00 72.34 H new ATOM 0 HA ILE A 75 -6.438 -12.135 2.048 1.00 31.13 H new ATOM 0 HB ILE A 75 -6.132 -9.323 2.958 1.00 64.34 H new ATOM 0 HG12 ILE A 75 -3.981 -10.136 4.179 1.00 0.32 H new ATOM 0 HG13 ILE A 75 -3.812 -11.161 2.768 1.00 0.32 H new ATOM 0 HG21 ILE A 75 -5.963 -10.599 5.173 1.00 40.30 H new ATOM 0 HG22 ILE A 75 -7.432 -11.039 4.271 1.00 40.30 H new ATOM 0 HG23 ILE A 75 -6.021 -12.123 4.256 1.00 40.30 H new ATOM 0 HD11 ILE A 75 -2.633 -9.014 2.437 1.00 72.50 H new ATOM 0 HD12 ILE A 75 -3.979 -9.167 1.282 1.00 72.50 H new ATOM 0 HD13 ILE A 75 -4.150 -8.126 2.715 1.00 72.50 H new ATOM 1183 N ASP A 76 -8.333 -11.085 0.303 1.00 34.41 N ATOM 1184 CA ASP A 76 -9.762 -11.072 -0.114 1.00 4.02 C ATOM 1185 C ASP A 76 -9.934 -11.630 -1.532 1.00 33.12 C ATOM 1186 O ASP A 76 -10.912 -11.302 -2.201 1.00 42.44 O ATOM 1187 CB ASP A 76 -10.483 -9.701 0.005 1.00 11.33 C ATOM 1188 CG ASP A 76 -12.000 -9.816 0.220 1.00 43.23 C ATOM 1189 OD1 ASP A 76 -12.459 -10.646 1.042 1.00 63.12 O ATOM 1190 OD2 ASP A 76 -12.743 -8.943 -0.286 1.00 15.04 O ATOM 0 H ASP A 76 -7.755 -11.555 -0.394 1.00 34.41 H new ATOM 0 HA ASP A 76 -10.252 -11.723 0.611 1.00 4.02 H new ATOM 0 HB2 ASP A 76 -10.049 -9.143 0.835 1.00 11.33 H new ATOM 0 HB3 ASP A 76 -10.296 -9.123 -0.900 1.00 11.33 H new ATOM 1195 N GLY A 77 -8.944 -12.358 -2.058 1.00 44.13 N ATOM 1196 CA GLY A 77 -8.879 -12.663 -3.479 1.00 42.40 C ATOM 1197 C GLY A 77 -8.507 -11.434 -4.306 1.00 74.34 C ATOM 1198 O GLY A 77 -8.988 -11.267 -5.430 1.00 65.52 O ATOM 0 H GLY A 77 -8.175 -12.746 -1.512 1.00 44.13 H new ATOM 0 HA2 GLY A 77 -8.145 -13.451 -3.649 1.00 42.40 H new ATOM 0 HA3 GLY A 77 -9.843 -13.048 -3.813 1.00 42.40 H new ATOM 1202 N LYS A 78 -7.668 -10.529 -3.777 1.00 35.44 N ATOM 1203 CA LYS A 78 -7.099 -9.425 -4.530 1.00 71.34 C ATOM 1204 C LYS A 78 -5.566 -9.391 -4.421 1.00 42.41 C ATOM 1205 O LYS A 78 -5.034 -8.905 -3.428 1.00 40.34 O ATOM 1206 CB LYS A 78 -7.806 -8.137 -4.100 1.00 40.24 C ATOM 1207 CG LYS A 78 -7.678 -7.551 -2.680 1.00 22.31 C ATOM 1208 CD LYS A 78 -7.382 -8.475 -1.504 1.00 20.34 C ATOM 1209 CE LYS A 78 -7.097 -7.733 -0.181 1.00 24.42 C ATOM 1210 NZ LYS A 78 -8.293 -7.106 0.427 1.00 42.44 N ATOM 0 H LYS A 78 -7.369 -10.553 -2.802 1.00 35.44 H new ATOM 0 HA LYS A 78 -7.275 -9.552 -5.598 1.00 71.34 H new ATOM 0 HB2 LYS A 78 -7.479 -7.358 -4.788 1.00 40.24 H new ATOM 0 HB3 LYS A 78 -8.870 -8.292 -4.277 1.00 40.24 H new ATOM 0 HG2 LYS A 78 -6.890 -6.798 -2.709 1.00 22.31 H new ATOM 0 HG3 LYS A 78 -8.609 -7.030 -2.458 1.00 22.31 H new ATOM 0 HD2 LYS A 78 -8.230 -9.144 -1.358 1.00 20.34 H new ATOM 0 HD3 LYS A 78 -6.523 -9.098 -1.752 1.00 20.34 H new ATOM 0 HE2 LYS A 78 -6.665 -8.435 0.532 1.00 24.42 H new ATOM 0 HE3 LYS A 78 -6.348 -6.962 -0.363 1.00 24.42 H new ATOM 0 HZ1 LYS A 78 -8.144 -6.080 0.506 1.00 42.44 H new ATOM 0 HZ2 LYS A 78 -9.124 -7.290 -0.171 1.00 42.44 H new ATOM 0 HZ3 LYS A 78 -8.452 -7.507 1.373 1.00 42.44 H new ATOM 1224 N THR A 79 -4.820 -9.956 -5.379 1.00 12.05 N ATOM 1225 CA THR A 79 -3.364 -9.795 -5.359 1.00 52.00 C ATOM 1226 C THR A 79 -3.055 -8.287 -5.431 1.00 1.12 C ATOM 1227 O THR A 79 -3.395 -7.640 -6.422 1.00 62.31 O ATOM 1228 CB THR A 79 -2.661 -10.530 -6.515 1.00 2.44 C ATOM 1229 OG1 THR A 79 -3.259 -11.772 -6.872 1.00 41.20 O ATOM 1230 CG2 THR A 79 -1.197 -10.753 -6.124 1.00 23.53 C ATOM 0 H THR A 79 -5.186 -10.511 -6.153 1.00 12.05 H new ATOM 0 HA THR A 79 -2.982 -10.239 -4.439 1.00 52.00 H new ATOM 0 HB THR A 79 -2.754 -9.898 -7.398 1.00 2.44 H new ATOM 0 HG1 THR A 79 -2.758 -12.175 -7.612 1.00 41.20 H new ATOM 0 HG21 THR A 79 -0.680 -11.273 -6.931 1.00 23.53 H new ATOM 0 HG22 THR A 79 -0.717 -9.791 -5.947 1.00 23.53 H new ATOM 0 HG23 THR A 79 -1.150 -11.354 -5.216 1.00 23.53 H new ATOM 1238 N ILE A 80 -2.523 -7.699 -4.360 1.00 72.14 N ATOM 1239 CA ILE A 80 -2.221 -6.280 -4.279 1.00 42.30 C ATOM 1240 C ILE A 80 -1.132 -5.962 -5.313 1.00 12.45 C ATOM 1241 O ILE A 80 -0.224 -6.763 -5.542 1.00 52.34 O ATOM 1242 CB ILE A 80 -1.817 -5.915 -2.831 1.00 74.51 C ATOM 1243 CG1 ILE A 80 -2.853 -6.324 -1.754 1.00 63.32 C ATOM 1244 CG2 ILE A 80 -1.543 -4.419 -2.712 1.00 14.34 C ATOM 1245 CD1 ILE A 80 -4.257 -5.754 -1.989 1.00 54.04 C ATOM 0 H ILE A 80 -2.287 -8.211 -3.510 1.00 72.14 H new ATOM 0 HA ILE A 80 -3.093 -5.670 -4.515 1.00 42.30 H new ATOM 0 HB ILE A 80 -0.914 -6.493 -2.635 1.00 74.51 H new ATOM 0 HG12 ILE A 80 -2.915 -7.412 -1.719 1.00 63.32 H new ATOM 0 HG13 ILE A 80 -2.497 -5.994 -0.778 1.00 63.32 H new ATOM 0 HG21 ILE A 80 -1.260 -4.181 -1.686 1.00 14.34 H new ATOM 0 HG22 ILE A 80 -0.731 -4.143 -3.385 1.00 14.34 H new ATOM 0 HG23 ILE A 80 -2.441 -3.862 -2.979 1.00 14.34 H new ATOM 0 HD11 ILE A 80 -4.923 -6.086 -1.192 1.00 54.04 H new ATOM 0 HD12 ILE A 80 -4.212 -4.665 -1.993 1.00 54.04 H new ATOM 0 HD13 ILE A 80 -4.636 -6.105 -2.949 1.00 54.04 H new ATOM 1257 N ASN A 81 -1.204 -4.782 -5.925 1.00 11.01 N ATOM 1258 CA ASN A 81 -0.166 -4.288 -6.825 1.00 23.11 C ATOM 1259 C ASN A 81 0.803 -3.382 -6.071 1.00 75.53 C ATOM 1260 O ASN A 81 0.451 -2.854 -5.016 1.00 2.43 O ATOM 1261 CB ASN A 81 -0.794 -3.528 -7.999 1.00 72.44 C ATOM 1262 CG ASN A 81 -0.247 -4.089 -9.292 1.00 70.10 C ATOM 1263 OD1 ASN A 81 0.740 -3.583 -9.814 1.00 32.21 O ATOM 1264 ND2 ASN A 81 -0.829 -5.175 -9.770 1.00 25.35 N ATOM 0 H ASN A 81 -1.988 -4.139 -5.810 1.00 11.01 H new ATOM 0 HA ASN A 81 0.386 -5.142 -7.217 1.00 23.11 H new ATOM 0 HB2 ASN A 81 -1.879 -3.626 -7.975 1.00 72.44 H new ATOM 0 HB3 ASN A 81 -0.568 -2.464 -7.924 1.00 72.44 H new ATOM 0 HD21 ASN A 81 -0.458 -5.626 -10.606 1.00 25.35 H new ATOM 0 HD22 ASN A 81 -1.649 -5.562 -9.303 1.00 25.35 H new ATOM 1271 N VAL A 82 1.979 -3.143 -6.645 1.00 63.14 N ATOM 1272 CA VAL A 82 3.017 -2.276 -6.095 1.00 4.04 C ATOM 1273 C VAL A 82 3.352 -1.237 -7.169 1.00 4.22 C ATOM 1274 O VAL A 82 3.172 -1.482 -8.359 1.00 21.24 O ATOM 1275 CB VAL A 82 4.236 -3.120 -5.644 1.00 71.40 C ATOM 1276 CG1 VAL A 82 5.307 -2.262 -4.948 1.00 71.20 C ATOM 1277 CG2 VAL A 82 3.816 -4.231 -4.663 1.00 61.50 C ATOM 0 H VAL A 82 2.245 -3.562 -7.536 1.00 63.14 H new ATOM 0 HA VAL A 82 2.682 -1.753 -5.199 1.00 4.04 H new ATOM 0 HB VAL A 82 4.650 -3.554 -6.554 1.00 71.40 H new ATOM 0 HG11 VAL A 82 6.143 -2.895 -4.649 1.00 71.20 H new ATOM 0 HG12 VAL A 82 5.661 -1.494 -5.636 1.00 71.20 H new ATOM 0 HG13 VAL A 82 4.877 -1.788 -4.066 1.00 71.20 H new ATOM 0 HG21 VAL A 82 4.694 -4.805 -4.366 1.00 61.50 H new ATOM 0 HG22 VAL A 82 3.359 -3.783 -3.780 1.00 61.50 H new ATOM 0 HG23 VAL A 82 3.098 -4.892 -5.148 1.00 61.50 H new ATOM 1287 N GLU A 83 3.726 -0.033 -6.752 1.00 0.15 N ATOM 1288 CA GLU A 83 4.288 1.058 -7.518 1.00 62.52 C ATOM 1289 C GLU A 83 5.165 1.868 -6.572 1.00 53.21 C ATOM 1290 O GLU A 83 5.076 1.745 -5.347 1.00 74.52 O ATOM 1291 CB GLU A 83 3.168 1.969 -8.038 1.00 20.13 C ATOM 1292 CG GLU A 83 2.890 1.790 -9.517 1.00 34.14 C ATOM 1293 CD GLU A 83 3.882 2.589 -10.365 1.00 33.13 C ATOM 1294 OE1 GLU A 83 5.109 2.438 -10.175 1.00 4.43 O ATOM 1295 OE2 GLU A 83 3.461 3.406 -11.215 1.00 64.31 O ATOM 0 H GLU A 83 3.631 0.222 -5.769 1.00 0.15 H new ATOM 0 HA GLU A 83 4.854 0.671 -8.365 1.00 62.52 H new ATOM 0 HB2 GLU A 83 2.255 1.768 -7.477 1.00 20.13 H new ATOM 0 HB3 GLU A 83 3.437 3.008 -7.849 1.00 20.13 H new ATOM 0 HG2 GLU A 83 2.953 0.733 -9.777 1.00 34.14 H new ATOM 0 HG3 GLU A 83 1.873 2.113 -9.741 1.00 34.14 H new ATOM 1302 N PHE A 84 5.929 2.776 -7.155 1.00 2.32 N ATOM 1303 CA PHE A 84 6.836 3.693 -6.496 1.00 4.35 C ATOM 1304 C PHE A 84 6.522 5.078 -7.048 1.00 53.03 C ATOM 1305 O PHE A 84 6.285 5.225 -8.249 1.00 1.21 O ATOM 1306 CB PHE A 84 8.267 3.237 -6.822 1.00 20.23 C ATOM 1307 CG PHE A 84 9.439 3.920 -6.137 1.00 71.24 C ATOM 1308 CD1 PHE A 84 9.402 4.223 -4.763 1.00 52.11 C ATOM 1309 CD2 PHE A 84 10.645 4.095 -6.849 1.00 43.03 C ATOM 1310 CE1 PHE A 84 10.552 4.692 -4.109 1.00 44.31 C ATOM 1311 CE2 PHE A 84 11.801 4.559 -6.192 1.00 34.52 C ATOM 1312 CZ PHE A 84 11.754 4.854 -4.818 1.00 63.52 C ATOM 0 H PHE A 84 5.930 2.898 -8.168 1.00 2.32 H new ATOM 0 HA PHE A 84 6.732 3.715 -5.411 1.00 4.35 H new ATOM 0 HB2 PHE A 84 8.331 2.172 -6.597 1.00 20.23 H new ATOM 0 HB3 PHE A 84 8.408 3.344 -7.897 1.00 20.23 H new ATOM 0 HD1 PHE A 84 8.484 4.094 -4.209 1.00 52.11 H new ATOM 0 HD2 PHE A 84 10.682 3.872 -7.905 1.00 43.03 H new ATOM 0 HE1 PHE A 84 10.513 4.929 -3.056 1.00 44.31 H new ATOM 0 HE2 PHE A 84 12.721 4.688 -6.742 1.00 34.52 H new ATOM 0 HZ PHE A 84 12.640 5.204 -4.309 1.00 63.52 H new ATOM 1322 N ALA A 85 6.524 6.106 -6.205 1.00 71.24 N ATOM 1323 CA ALA A 85 6.417 7.496 -6.627 1.00 12.34 C ATOM 1324 C ALA A 85 7.365 8.312 -5.760 1.00 33.21 C ATOM 1325 O ALA A 85 7.016 8.800 -4.681 1.00 0.22 O ATOM 1326 CB ALA A 85 4.968 7.981 -6.572 1.00 54.10 C ATOM 0 H ALA A 85 6.601 5.994 -5.194 1.00 71.24 H new ATOM 0 HA ALA A 85 6.710 7.614 -7.670 1.00 12.34 H new ATOM 0 HB1 ALA A 85 4.920 9.022 -6.893 1.00 54.10 H new ATOM 0 HB2 ALA A 85 4.354 7.369 -7.233 1.00 54.10 H new ATOM 0 HB3 ALA A 85 4.595 7.898 -5.551 1.00 54.10 H new ATOM 1332 N LYS A 86 8.613 8.370 -6.206 1.00 61.11 N ATOM 1333 CA LYS A 86 9.698 9.016 -5.502 1.00 41.21 C ATOM 1334 C LYS A 86 9.722 10.472 -5.961 1.00 72.31 C ATOM 1335 O LYS A 86 10.401 10.803 -6.935 1.00 2.33 O ATOM 1336 CB LYS A 86 10.990 8.227 -5.789 1.00 62.14 C ATOM 1337 CG LYS A 86 12.058 8.367 -4.698 1.00 74.41 C ATOM 1338 CD LYS A 86 12.503 9.800 -4.378 1.00 44.32 C ATOM 1339 CE LYS A 86 13.214 10.596 -5.491 1.00 13.04 C ATOM 1340 NZ LYS A 86 14.170 9.811 -6.301 1.00 1.33 N ATOM 0 H LYS A 86 8.900 7.956 -7.093 1.00 61.11 H new ATOM 0 HA LYS A 86 9.583 9.022 -4.418 1.00 41.21 H new ATOM 0 HB2 LYS A 86 10.741 7.172 -5.907 1.00 62.14 H new ATOM 0 HB3 LYS A 86 11.407 8.565 -6.738 1.00 62.14 H new ATOM 0 HG2 LYS A 86 11.678 7.912 -3.783 1.00 74.41 H new ATOM 0 HG3 LYS A 86 12.935 7.793 -4.999 1.00 74.41 H new ATOM 0 HD2 LYS A 86 11.622 10.364 -4.073 1.00 44.32 H new ATOM 0 HD3 LYS A 86 13.170 9.760 -3.517 1.00 44.32 H new ATOM 0 HE2 LYS A 86 12.460 11.019 -6.154 1.00 13.04 H new ATOM 0 HE3 LYS A 86 13.745 11.433 -5.037 1.00 13.04 H new ATOM 0 HZ1 LYS A 86 14.600 10.425 -7.022 1.00 1.33 H new ATOM 0 HZ2 LYS A 86 14.915 9.428 -5.684 1.00 1.33 H new ATOM 0 HZ3 LYS A 86 13.669 9.028 -6.767 1.00 1.33 H new