USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 710 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 82 GLN : amide:sc= -0.406 X(o=-0.23,f=-0.022) USER MOD Set 1.2: A 86 GLN : amide:sc= 0.171 X(o=-0.23,f=-0.22) USER MOD Single : A 22 THR OG1 : rot 26:sc= 0.208 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 26 THR OG1 : rot 55:sc= 0.0348 USER MOD Single : A 29 SER OG : rot -100:sc= 0.00356 USER MOD Single : A 30 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.1) USER MOD Single : A 35 THR OG1 : rot 180:sc= -2.75! USER MOD Single : A 36 ASN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -151:sc=-0.000477 (180deg=-0.547) USER MOD Single : A 47 GLN : amide:sc= 0.152 X(o=0.15,f=-0.088) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.6) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.13) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0851 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 84 SER OG : rot -173:sc= -0.742 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.0814 K(o=-0.081,f=-1.7!) USER MOD Single : A 100 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.2) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 58:sc= 0.821 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc=-0.00612 X(o=-0.0061,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 8.297 4.637 -7.595 1.00 42.10 N ATOM 2 CA THR A 22 8.231 3.217 -7.917 1.00 50.32 C ATOM 3 C THR A 22 6.805 2.796 -8.255 1.00 5.00 C ATOM 4 O THR A 22 6.163 2.048 -7.518 1.00 75.23 O ATOM 5 CB THR A 22 8.747 2.352 -6.752 1.00 44.20 C ATOM 6 OG1 THR A 22 10.017 2.840 -6.305 1.00 3.21 O ATOM 7 CG2 THR A 22 8.878 0.897 -7.175 1.00 61.11 C ATOM 0 HA THR A 22 8.869 3.060 -8.786 1.00 50.32 H new ATOM 0 HB THR A 22 8.027 2.413 -5.936 1.00 44.20 H new ATOM 0 HG1 THR A 22 10.095 3.793 -6.518 1.00 3.21 H new ATOM 0 HG21 THR A 22 9.244 0.306 -6.336 1.00 61.11 H new ATOM 0 HG22 THR A 22 7.904 0.520 -7.487 1.00 61.11 H new ATOM 0 HG23 THR A 22 9.580 0.821 -8.006 1.00 61.11 H new ATOM 15 N PRO A 23 6.297 3.286 -9.396 1.00 24.33 N ATOM 16 CA PRO A 23 4.942 2.972 -9.858 1.00 21.24 C ATOM 17 C PRO A 23 4.803 1.520 -10.304 1.00 45.41 C ATOM 18 O PRO A 23 5.373 1.098 -11.311 1.00 11.32 O ATOM 19 CB PRO A 23 4.744 3.918 -11.045 1.00 31.34 C ATOM 20 CG PRO A 23 6.121 4.201 -11.537 1.00 60.13 C ATOM 21 CD PRO A 23 7.007 4.183 -10.323 1.00 2.14 C ATOM 0 HA PRO A 23 4.202 3.098 -9.067 1.00 21.24 H new ATOM 0 HB2 PRO A 23 4.133 3.457 -11.821 1.00 31.34 H new ATOM 0 HB3 PRO A 23 4.236 4.833 -10.741 1.00 31.34 H new ATOM 0 HG2 PRO A 23 6.438 3.452 -12.262 1.00 60.13 H new ATOM 0 HG3 PRO A 23 6.165 5.168 -12.038 1.00 60.13 H new ATOM 0 HD2 PRO A 23 8.004 3.810 -10.559 1.00 2.14 H new ATOM 0 HD3 PRO A 23 7.131 5.180 -9.901 1.00 2.14 H new ATOM 29 N PRO A 24 4.029 0.737 -9.540 1.00 33.44 N ATOM 30 CA PRO A 24 3.797 -0.680 -9.838 1.00 55.30 C ATOM 31 C PRO A 24 2.937 -0.877 -11.082 1.00 41.31 C ATOM 32 O PRO A 24 2.106 -0.031 -11.415 1.00 70.21 O ATOM 33 CB PRO A 24 3.062 -1.188 -8.595 1.00 24.41 C ATOM 34 CG PRO A 24 2.403 0.019 -8.024 1.00 1.24 C ATOM 35 CD PRO A 24 3.319 1.173 -8.325 1.00 62.22 C ATOM 0 HA PRO A 24 4.726 -1.210 -10.047 1.00 55.30 H new ATOM 0 HB2 PRO A 24 2.330 -1.954 -8.853 1.00 24.41 H new ATOM 0 HB3 PRO A 24 3.754 -1.636 -7.882 1.00 24.41 H new ATOM 0 HG2 PRO A 24 1.420 0.174 -8.469 1.00 1.24 H new ATOM 0 HG3 PRO A 24 2.253 -0.090 -6.950 1.00 1.24 H new ATOM 0 HD2 PRO A 24 2.762 2.095 -8.494 1.00 62.22 H new ATOM 0 HD3 PRO A 24 4.009 1.364 -7.503 1.00 62.22 H new ATOM 43 N HIS A 25 3.142 -1.998 -11.766 1.00 20.00 N ATOM 44 CA HIS A 25 2.384 -2.306 -12.974 1.00 24.34 C ATOM 45 C HIS A 25 1.127 -3.103 -12.638 1.00 24.22 C ATOM 46 O HIS A 25 1.183 -4.318 -12.443 1.00 74.14 O ATOM 47 CB HIS A 25 3.252 -3.091 -13.959 1.00 14.42 C ATOM 48 CG HIS A 25 4.493 -2.363 -14.375 1.00 72.10 C ATOM 49 ND1 HIS A 25 4.484 -1.065 -14.839 1.00 42.34 N ATOM 50 CD2 HIS A 25 5.787 -2.759 -14.393 1.00 61.02 C ATOM 51 CE1 HIS A 25 5.719 -0.694 -15.127 1.00 22.11 C ATOM 52 NE2 HIS A 25 6.529 -1.704 -14.865 1.00 21.05 N ATOM 0 H HIS A 25 3.826 -2.708 -11.505 1.00 20.00 H new ATOM 0 HA HIS A 25 2.084 -1.365 -13.435 1.00 24.34 H new ATOM 0 HB2 HIS A 25 3.533 -4.042 -13.506 1.00 14.42 H new ATOM 0 HB3 HIS A 25 2.662 -3.323 -14.846 1.00 14.42 H new ATOM 0 HD2 HIS A 25 6.166 -3.725 -14.092 1.00 61.02 H new ATOM 0 HE1 HIS A 25 6.016 0.271 -15.511 1.00 22.11 H new ATOM 0 HE2 HIS A 25 7.541 -1.701 -14.992 1.00 21.05 H new ATOM 60 N THR A 26 -0.006 -2.411 -12.570 1.00 62.43 N ATOM 61 CA THR A 26 -1.276 -3.054 -12.256 1.00 42.41 C ATOM 62 C THR A 26 -2.432 -2.366 -12.974 1.00 22.50 C ATOM 63 O THR A 26 -3.195 -1.618 -12.365 1.00 0.13 O ATOM 64 CB THR A 26 -1.550 -3.045 -10.740 1.00 41.14 C ATOM 65 OG1 THR A 26 -1.239 -1.758 -10.194 1.00 31.53 O ATOM 66 CG2 THR A 26 -0.728 -4.113 -10.036 1.00 24.23 C ATOM 0 H THR A 26 -0.070 -1.405 -12.728 1.00 62.43 H new ATOM 0 HA THR A 26 -1.202 -4.086 -12.598 1.00 42.41 H new ATOM 0 HB THR A 26 -2.607 -3.260 -10.582 1.00 41.14 H new ATOM 0 HG1 THR A 26 -1.740 -1.068 -10.677 1.00 31.53 H new ATOM 0 HG21 THR A 26 -0.938 -4.088 -8.967 1.00 24.23 H new ATOM 0 HG22 THR A 26 -0.988 -5.094 -10.434 1.00 24.23 H new ATOM 0 HG23 THR A 26 0.333 -3.924 -10.202 1.00 24.23 H new ATOM 74 N GLU A 27 -2.555 -2.627 -14.272 1.00 0.22 N ATOM 75 CA GLU A 27 -3.619 -2.032 -15.072 1.00 32.11 C ATOM 76 C GLU A 27 -3.481 -0.513 -15.118 1.00 70.02 C ATOM 77 O GLU A 27 -2.921 0.112 -14.218 1.00 0.44 O ATOM 78 CB GLU A 27 -4.988 -2.414 -14.504 1.00 51.45 C ATOM 79 CG GLU A 27 -5.158 -3.906 -14.276 1.00 24.15 C ATOM 80 CD GLU A 27 -5.683 -4.228 -12.890 1.00 4.22 C ATOM 81 OE1 GLU A 27 -6.717 -3.649 -12.497 1.00 40.05 O ATOM 82 OE2 GLU A 27 -5.058 -5.059 -12.198 1.00 33.40 O ATOM 0 H GLU A 27 -1.932 -3.246 -14.791 1.00 0.22 H new ATOM 0 HA GLU A 27 -3.534 -2.418 -16.088 1.00 32.11 H new ATOM 0 HB2 GLU A 27 -5.139 -1.891 -13.559 1.00 51.45 H new ATOM 0 HB3 GLU A 27 -5.764 -2.069 -15.187 1.00 51.45 H new ATOM 0 HG2 GLU A 27 -5.843 -4.308 -15.022 1.00 24.15 H new ATOM 0 HG3 GLU A 27 -4.199 -4.404 -14.422 1.00 24.15 H new ATOM 89 N PRO A 28 -4.003 0.096 -16.193 1.00 71.44 N ATOM 90 CA PRO A 28 -3.951 1.548 -16.384 1.00 2.20 C ATOM 91 C PRO A 28 -4.849 2.294 -15.404 1.00 15.24 C ATOM 92 O PRO A 28 -4.424 3.257 -14.766 1.00 23.02 O ATOM 93 CB PRO A 28 -4.452 1.736 -17.818 1.00 71.01 C ATOM 94 CG PRO A 28 -5.304 0.543 -18.081 1.00 33.42 C ATOM 95 CD PRO A 28 -4.685 -0.587 -17.306 1.00 30.34 C ATOM 0 HA PRO A 28 -2.951 1.946 -16.212 1.00 2.20 H new ATOM 0 HB2 PRO A 28 -5.022 2.660 -17.920 1.00 71.01 H new ATOM 0 HB3 PRO A 28 -3.623 1.793 -18.523 1.00 71.01 H new ATOM 0 HG2 PRO A 28 -6.331 0.719 -17.761 1.00 33.42 H new ATOM 0 HG3 PRO A 28 -5.337 0.314 -19.146 1.00 33.42 H new ATOM 0 HD2 PRO A 28 -5.438 -1.288 -16.946 1.00 30.34 H new ATOM 0 HD3 PRO A 28 -3.985 -1.157 -17.917 1.00 30.34 H new ATOM 103 N SER A 29 -6.094 1.843 -15.288 1.00 55.01 N ATOM 104 CA SER A 29 -7.054 2.470 -14.387 1.00 54.44 C ATOM 105 C SER A 29 -7.335 3.909 -14.809 1.00 51.44 C ATOM 106 O SER A 29 -6.903 4.855 -14.152 1.00 5.34 O ATOM 107 CB SER A 29 -6.531 2.441 -12.950 1.00 13.30 C ATOM 108 OG SER A 29 -6.102 1.140 -12.590 1.00 33.34 O ATOM 0 H SER A 29 -6.462 1.045 -15.807 1.00 55.01 H new ATOM 0 HA SER A 29 -7.985 1.906 -14.438 1.00 54.44 H new ATOM 0 HB2 SER A 29 -5.703 3.142 -12.847 1.00 13.30 H new ATOM 0 HB3 SER A 29 -7.314 2.771 -12.268 1.00 13.30 H new ATOM 0 HG SER A 29 -6.796 0.704 -12.053 1.00 33.34 H new ATOM 114 N GLN A 30 -8.062 4.065 -15.911 1.00 52.20 N ATOM 115 CA GLN A 30 -8.400 5.388 -16.422 1.00 14.42 C ATOM 116 C GLN A 30 -9.781 5.821 -15.940 1.00 0.52 C ATOM 117 O GLN A 30 -10.486 6.561 -16.626 1.00 42.52 O ATOM 118 CB GLN A 30 -8.356 5.395 -17.951 1.00 22.32 C ATOM 119 CG GLN A 30 -7.138 4.691 -18.527 1.00 21.42 C ATOM 120 CD GLN A 30 -7.161 4.630 -20.041 1.00 60.14 C ATOM 121 OE1 GLN A 30 -8.095 5.116 -20.680 1.00 34.55 O ATOM 122 NE2 GLN A 30 -6.130 4.032 -20.626 1.00 24.41 N ATOM 0 H GLN A 30 -8.428 3.292 -16.467 1.00 52.20 H new ATOM 0 HA GLN A 30 -7.663 6.095 -16.041 1.00 14.42 H new ATOM 0 HB2 GLN A 30 -9.257 4.917 -18.334 1.00 22.32 H new ATOM 0 HB3 GLN A 30 -8.369 6.427 -18.302 1.00 22.32 H new ATOM 0 HG2 GLN A 30 -6.236 5.209 -18.202 1.00 21.42 H new ATOM 0 HG3 GLN A 30 -7.086 3.678 -18.127 1.00 21.42 H new ATOM 0 HE21 GLN A 30 -5.377 3.643 -20.059 1.00 24.41 H new ATOM 0 HE22 GLN A 30 -6.091 3.962 -21.643 1.00 24.41 H new ATOM 131 N VAL A 31 -10.162 5.355 -14.755 1.00 1.03 N ATOM 132 CA VAL A 31 -11.458 5.695 -14.180 1.00 72.31 C ATOM 133 C VAL A 31 -11.347 5.938 -12.679 1.00 74.32 C ATOM 134 O VAL A 31 -10.451 5.413 -12.019 1.00 23.22 O ATOM 135 CB VAL A 31 -12.493 4.583 -14.434 1.00 73.30 C ATOM 136 CG1 VAL A 31 -12.589 4.271 -15.920 1.00 1.03 C ATOM 137 CG2 VAL A 31 -12.139 3.334 -13.641 1.00 1.24 C ATOM 0 H VAL A 31 -9.591 4.741 -14.174 1.00 1.03 H new ATOM 0 HA VAL A 31 -11.791 6.610 -14.669 1.00 72.31 H new ATOM 0 HB VAL A 31 -13.468 4.935 -14.097 1.00 73.30 H new ATOM 0 HG11 VAL A 31 -13.325 3.483 -16.080 1.00 1.03 H new ATOM 0 HG12 VAL A 31 -12.893 5.167 -16.461 1.00 1.03 H new ATOM 0 HG13 VAL A 31 -11.617 3.939 -16.286 1.00 1.03 H new ATOM 0 HG21 VAL A 31 -12.881 2.559 -13.833 1.00 1.24 H new ATOM 0 HG22 VAL A 31 -11.155 2.977 -13.944 1.00 1.24 H new ATOM 0 HG23 VAL A 31 -12.127 3.570 -12.577 1.00 1.24 H new ATOM 147 N VAL A 32 -12.266 6.737 -12.145 1.00 65.02 N ATOM 148 CA VAL A 32 -12.273 7.049 -10.721 1.00 65.10 C ATOM 149 C VAL A 32 -13.650 6.810 -10.113 1.00 11.30 C ATOM 150 O VAL A 32 -14.672 7.141 -10.715 1.00 15.30 O ATOM 151 CB VAL A 32 -11.856 8.509 -10.464 1.00 51.43 C ATOM 152 CG1 VAL A 32 -10.544 8.822 -11.168 1.00 13.32 C ATOM 153 CG2 VAL A 32 -12.953 9.463 -10.915 1.00 23.34 C ATOM 0 H VAL A 32 -13.015 7.180 -12.677 1.00 65.02 H new ATOM 0 HA VAL A 32 -11.550 6.384 -10.248 1.00 65.10 H new ATOM 0 HB VAL A 32 -11.707 8.643 -9.393 1.00 51.43 H new ATOM 0 HG11 VAL A 32 -10.266 9.858 -10.975 1.00 13.32 H new ATOM 0 HG12 VAL A 32 -9.763 8.160 -10.793 1.00 13.32 H new ATOM 0 HG13 VAL A 32 -10.662 8.672 -12.241 1.00 13.32 H new ATOM 0 HG21 VAL A 32 -12.642 10.490 -10.726 1.00 23.34 H new ATOM 0 HG22 VAL A 32 -13.136 9.329 -11.981 1.00 23.34 H new ATOM 0 HG23 VAL A 32 -13.868 9.253 -10.361 1.00 23.34 H new ATOM 163 N LEU A 33 -13.670 6.234 -8.916 1.00 55.41 N ATOM 164 CA LEU A 33 -14.923 5.951 -8.224 1.00 54.45 C ATOM 165 C LEU A 33 -15.151 6.939 -7.085 1.00 33.04 C ATOM 166 O LEU A 33 -14.296 7.106 -6.215 1.00 44.41 O ATOM 167 CB LEU A 33 -14.917 4.521 -7.682 1.00 14.22 C ATOM 168 CG LEU A 33 -15.806 4.261 -6.465 1.00 53.30 C ATOM 169 CD1 LEU A 33 -17.238 4.688 -6.749 1.00 71.21 C ATOM 170 CD2 LEU A 33 -15.754 2.793 -6.070 1.00 63.41 C ATOM 0 H LEU A 33 -12.833 5.954 -8.404 1.00 55.41 H new ATOM 0 HA LEU A 33 -15.738 6.057 -8.940 1.00 54.45 H new ATOM 0 HB2 LEU A 33 -15.226 3.849 -8.483 1.00 14.22 H new ATOM 0 HB3 LEU A 33 -13.892 4.257 -7.421 1.00 14.22 H new ATOM 0 HG LEU A 33 -15.430 4.854 -5.631 1.00 53.30 H new ATOM 0 HD11 LEU A 33 -17.856 4.495 -5.872 1.00 71.21 H new ATOM 0 HD12 LEU A 33 -17.261 5.752 -6.982 1.00 71.21 H new ATOM 0 HD13 LEU A 33 -17.625 4.122 -7.597 1.00 71.21 H new ATOM 0 HD21 LEU A 33 -16.392 2.627 -5.202 1.00 63.41 H new ATOM 0 HD22 LEU A 33 -16.104 2.180 -6.901 1.00 63.41 H new ATOM 0 HD23 LEU A 33 -14.728 2.519 -5.823 1.00 63.41 H new ATOM 182 N ILE A 34 -16.310 7.588 -7.094 1.00 54.43 N ATOM 183 CA ILE A 34 -16.652 8.557 -6.060 1.00 22.55 C ATOM 184 C ILE A 34 -17.846 8.084 -5.237 1.00 51.34 C ATOM 185 O ILE A 34 -18.733 7.398 -5.746 1.00 62.35 O ATOM 186 CB ILE A 34 -16.972 9.937 -6.663 1.00 70.33 C ATOM 187 CG1 ILE A 34 -18.157 9.834 -7.626 1.00 65.24 C ATOM 188 CG2 ILE A 34 -15.751 10.500 -7.375 1.00 60.41 C ATOM 189 CD1 ILE A 34 -17.751 9.825 -9.084 1.00 14.22 C ATOM 0 H ILE A 34 -17.029 7.460 -7.806 1.00 54.43 H new ATOM 0 HA ILE A 34 -15.780 8.648 -5.412 1.00 22.55 H new ATOM 0 HB ILE A 34 -17.242 10.617 -5.855 1.00 70.33 H new ATOM 0 HG12 ILE A 34 -18.715 8.924 -7.407 1.00 65.24 H new ATOM 0 HG13 ILE A 34 -18.832 10.672 -7.450 1.00 65.24 H new ATOM 0 HG21 ILE A 34 -15.993 11.476 -7.796 1.00 60.41 H new ATOM 0 HG22 ILE A 34 -14.931 10.605 -6.664 1.00 60.41 H new ATOM 0 HG23 ILE A 34 -15.453 9.823 -8.176 1.00 60.41 H new ATOM 0 HD11 ILE A 34 -18.641 9.750 -9.709 1.00 14.22 H new ATOM 0 HD12 ILE A 34 -17.219 10.747 -9.319 1.00 14.22 H new ATOM 0 HD13 ILE A 34 -17.100 8.972 -9.275 1.00 14.22 H new ATOM 201 N THR A 35 -17.865 8.458 -3.962 1.00 5.14 N ATOM 202 CA THR A 35 -18.950 8.074 -3.068 1.00 61.12 C ATOM 203 C THR A 35 -19.326 9.219 -2.135 1.00 41.54 C ATOM 204 O THR A 35 -18.806 10.328 -2.257 1.00 64.42 O ATOM 205 CB THR A 35 -18.573 6.842 -2.224 1.00 31.02 C ATOM 206 OG1 THR A 35 -17.624 7.210 -1.217 1.00 22.11 O ATOM 207 CG2 THR A 35 -17.991 5.743 -3.100 1.00 3.12 C ATOM 0 H THR A 35 -17.140 9.027 -3.525 1.00 5.14 H new ATOM 0 HA THR A 35 -19.805 7.827 -3.697 1.00 61.12 H new ATOM 0 HB THR A 35 -19.478 6.464 -1.749 1.00 31.02 H new ATOM 0 HG1 THR A 35 -17.391 6.422 -0.684 1.00 22.11 H new ATOM 0 HG21 THR A 35 -17.732 4.883 -2.482 1.00 3.12 H new ATOM 0 HG22 THR A 35 -18.727 5.445 -3.847 1.00 3.12 H new ATOM 0 HG23 THR A 35 -17.096 6.112 -3.600 1.00 3.12 H new ATOM 215 N ASN A 36 -20.233 8.944 -1.203 1.00 44.34 N ATOM 216 CA ASN A 36 -20.678 9.953 -0.249 1.00 51.10 C ATOM 217 C ASN A 36 -21.338 11.127 -0.966 1.00 74.44 C ATOM 218 O ASN A 36 -21.057 12.288 -0.668 1.00 25.41 O ATOM 219 CB ASN A 36 -19.497 10.451 0.587 1.00 73.01 C ATOM 220 CG ASN A 36 -19.891 10.757 2.019 1.00 20.42 C ATOM 221 OD1 ASN A 36 -19.229 10.324 2.963 1.00 62.15 O ATOM 222 ND2 ASN A 36 -20.974 11.506 2.188 1.00 74.22 N ATOM 0 H ASN A 36 -20.674 8.031 -1.088 1.00 44.34 H new ATOM 0 HA ASN A 36 -21.414 9.493 0.411 1.00 51.10 H new ATOM 0 HB2 ASN A 36 -18.709 9.698 0.583 1.00 73.01 H new ATOM 0 HB3 ASN A 36 -19.083 11.348 0.127 1.00 73.01 H new ATOM 0 HD21 ASN A 36 -21.288 11.744 3.129 1.00 74.22 H new ATOM 0 HD22 ASN A 36 -21.492 11.843 1.377 1.00 74.22 H new ATOM 229 N ILE A 37 -22.218 10.815 -1.912 1.00 41.44 N ATOM 230 CA ILE A 37 -22.919 11.844 -2.671 1.00 34.23 C ATOM 231 C ILE A 37 -24.422 11.786 -2.416 1.00 62.23 C ATOM 232 O ILE A 37 -25.023 10.713 -2.430 1.00 23.55 O ATOM 233 CB ILE A 37 -22.660 11.704 -4.182 1.00 73.34 C ATOM 234 CG1 ILE A 37 -22.877 10.256 -4.627 1.00 74.12 C ATOM 235 CG2 ILE A 37 -21.250 12.162 -4.523 1.00 13.40 C ATOM 236 CD1 ILE A 37 -22.992 10.095 -6.127 1.00 1.11 C ATOM 0 H ILE A 37 -22.462 9.859 -2.171 1.00 41.44 H new ATOM 0 HA ILE A 37 -22.532 12.805 -2.333 1.00 34.23 H new ATOM 0 HB ILE A 37 -23.367 12.339 -4.717 1.00 73.34 H new ATOM 0 HG12 ILE A 37 -22.049 9.646 -4.267 1.00 74.12 H new ATOM 0 HG13 ILE A 37 -23.783 9.872 -4.158 1.00 74.12 H new ATOM 0 HG21 ILE A 37 -21.083 12.057 -5.595 1.00 13.40 H new ATOM 0 HG22 ILE A 37 -21.128 13.207 -4.237 1.00 13.40 H new ATOM 0 HG23 ILE A 37 -20.528 11.551 -3.981 1.00 13.40 H new ATOM 0 HD11 ILE A 37 -23.145 9.043 -6.369 1.00 1.11 H new ATOM 0 HD12 ILE A 37 -23.838 10.678 -6.492 1.00 1.11 H new ATOM 0 HD13 ILE A 37 -22.077 10.448 -6.602 1.00 1.11 H new ATOM 248 N ASN A 38 -25.023 12.949 -2.186 1.00 63.23 N ATOM 249 CA ASN A 38 -26.456 13.031 -1.930 1.00 31.10 C ATOM 250 C ASN A 38 -27.254 12.598 -3.157 1.00 3.25 C ATOM 251 O ASN A 38 -27.240 13.253 -4.199 1.00 75.01 O ATOM 252 CB ASN A 38 -26.843 14.457 -1.533 1.00 34.21 C ATOM 253 CG ASN A 38 -27.645 14.501 -0.246 1.00 51.24 C ATOM 254 OD1 ASN A 38 -28.745 13.954 -0.168 1.00 71.02 O ATOM 255 ND2 ASN A 38 -27.096 15.155 0.770 1.00 1.35 N ATOM 0 H ASN A 38 -24.540 13.847 -2.172 1.00 63.23 H new ATOM 0 HA ASN A 38 -26.692 12.355 -1.108 1.00 31.10 H new ATOM 0 HB2 ASN A 38 -25.940 15.056 -1.416 1.00 34.21 H new ATOM 0 HB3 ASN A 38 -27.425 14.910 -2.336 1.00 34.21 H new ATOM 0 HD21 ASN A 38 -27.588 15.219 1.661 1.00 1.35 H new ATOM 0 HD22 ASN A 38 -26.182 15.593 0.660 1.00 1.35 H new ATOM 262 N PRO A 39 -27.966 11.469 -3.031 1.00 31.32 N ATOM 263 CA PRO A 39 -28.784 10.924 -4.118 1.00 71.52 C ATOM 264 C PRO A 39 -30.011 11.781 -4.407 1.00 13.44 C ATOM 265 O PRO A 39 -30.676 11.606 -5.427 1.00 44.35 O ATOM 266 CB PRO A 39 -29.204 9.549 -3.591 1.00 52.23 C ATOM 267 CG PRO A 39 -29.150 9.679 -2.108 1.00 54.42 C ATOM 268 CD PRO A 39 -28.028 10.637 -1.817 1.00 54.21 C ATOM 0 HA PRO A 39 -28.236 10.886 -5.060 1.00 71.52 H new ATOM 0 HB2 PRO A 39 -30.206 9.285 -3.929 1.00 52.23 H new ATOM 0 HB3 PRO A 39 -28.532 8.767 -3.945 1.00 52.23 H new ATOM 0 HG2 PRO A 39 -30.095 10.054 -1.714 1.00 54.42 H new ATOM 0 HG3 PRO A 39 -28.970 8.712 -1.638 1.00 54.42 H new ATOM 0 HD2 PRO A 39 -28.231 11.236 -0.929 1.00 54.21 H new ATOM 0 HD3 PRO A 39 -27.088 10.114 -1.640 1.00 54.21 H new ATOM 276 N GLU A 40 -30.306 12.709 -3.501 1.00 24.12 N ATOM 277 CA GLU A 40 -31.454 13.593 -3.659 1.00 40.44 C ATOM 278 C GLU A 40 -31.409 14.307 -5.007 1.00 41.15 C ATOM 279 O GLU A 40 -32.441 14.707 -5.546 1.00 12.34 O ATOM 280 CB GLU A 40 -31.494 14.621 -2.527 1.00 14.42 C ATOM 281 CG GLU A 40 -32.188 14.118 -1.272 1.00 73.13 C ATOM 282 CD GLU A 40 -32.545 15.237 -0.314 1.00 3.44 C ATOM 283 OE1 GLU A 40 -31.622 15.804 0.307 1.00 25.04 O ATOM 284 OE2 GLU A 40 -33.748 15.547 -0.185 1.00 61.20 O ATOM 0 H GLU A 40 -29.766 12.867 -2.651 1.00 24.12 H new ATOM 0 HA GLU A 40 -32.357 12.984 -3.619 1.00 40.44 H new ATOM 0 HB2 GLU A 40 -30.474 14.912 -2.276 1.00 14.42 H new ATOM 0 HB3 GLU A 40 -32.004 15.517 -2.880 1.00 14.42 H new ATOM 0 HG2 GLU A 40 -33.095 13.582 -1.553 1.00 73.13 H new ATOM 0 HG3 GLU A 40 -31.540 13.403 -0.765 1.00 73.13 H new ATOM 291 N VAL A 41 -30.204 14.464 -5.548 1.00 33.44 N ATOM 292 CA VAL A 41 -30.023 15.128 -6.833 1.00 12.24 C ATOM 293 C VAL A 41 -30.078 14.128 -7.981 1.00 70.45 C ATOM 294 O VAL A 41 -29.473 13.056 -7.934 1.00 10.41 O ATOM 295 CB VAL A 41 -28.683 15.885 -6.889 1.00 1.10 C ATOM 296 CG1 VAL A 41 -27.532 14.962 -6.518 1.00 13.13 C ATOM 297 CG2 VAL A 41 -28.470 16.488 -8.269 1.00 64.13 C ATOM 0 H VAL A 41 -29.339 14.140 -5.116 1.00 33.44 H new ATOM 0 HA VAL A 41 -30.840 15.842 -6.938 1.00 12.24 H new ATOM 0 HB VAL A 41 -28.714 16.697 -6.163 1.00 1.10 H new ATOM 0 HG11 VAL A 41 -26.593 15.514 -6.563 1.00 13.13 H new ATOM 0 HG12 VAL A 41 -27.681 14.582 -5.507 1.00 13.13 H new ATOM 0 HG13 VAL A 41 -27.495 14.127 -7.217 1.00 13.13 H new ATOM 0 HG21 VAL A 41 -27.519 17.019 -8.291 1.00 64.13 H new ATOM 0 HG22 VAL A 41 -28.459 15.694 -9.015 1.00 64.13 H new ATOM 0 HG23 VAL A 41 -29.279 17.184 -8.491 1.00 64.13 H new ATOM 307 N PRO A 42 -30.820 14.483 -9.041 1.00 32.03 N ATOM 308 CA PRO A 42 -30.971 13.630 -10.223 1.00 52.24 C ATOM 309 C PRO A 42 -29.684 13.531 -11.035 1.00 10.21 C ATOM 310 O PRO A 42 -28.974 14.521 -11.215 1.00 65.50 O ATOM 311 CB PRO A 42 -32.061 14.337 -11.033 1.00 60.24 C ATOM 312 CG PRO A 42 -31.982 15.763 -10.611 1.00 41.32 C ATOM 313 CD PRO A 42 -31.569 15.745 -9.166 1.00 4.05 C ATOM 0 HA PRO A 42 -31.218 12.603 -9.955 1.00 52.24 H new ATOM 0 HB2 PRO A 42 -31.890 14.231 -12.104 1.00 60.24 H new ATOM 0 HB3 PRO A 42 -33.045 13.916 -10.825 1.00 60.24 H new ATOM 0 HG2 PRO A 42 -31.259 16.310 -11.217 1.00 41.32 H new ATOM 0 HG3 PRO A 42 -32.944 16.261 -10.736 1.00 41.32 H new ATOM 0 HD2 PRO A 42 -30.950 16.606 -8.914 1.00 4.05 H new ATOM 0 HD3 PRO A 42 -32.432 15.767 -8.501 1.00 4.05 H new ATOM 321 N LYS A 43 -29.389 12.331 -11.523 1.00 41.45 N ATOM 322 CA LYS A 43 -28.188 12.102 -12.318 1.00 1.51 C ATOM 323 C LYS A 43 -28.068 13.136 -13.434 1.00 34.33 C ATOM 324 O LYS A 43 -26.967 13.558 -13.785 1.00 14.35 O ATOM 325 CB LYS A 43 -28.206 10.693 -12.914 1.00 35.14 C ATOM 326 CG LYS A 43 -27.125 10.458 -13.954 1.00 22.34 C ATOM 327 CD LYS A 43 -27.629 10.747 -15.358 1.00 21.54 C ATOM 328 CE LYS A 43 -27.170 9.684 -16.344 1.00 72.41 C ATOM 329 NZ LYS A 43 -28.296 8.816 -16.788 1.00 53.34 N ATOM 0 H LYS A 43 -29.965 11.501 -11.382 1.00 41.45 H new ATOM 0 HA LYS A 43 -27.324 12.201 -11.661 1.00 1.51 H new ATOM 0 HB2 LYS A 43 -28.089 9.966 -12.110 1.00 35.14 H new ATOM 0 HB3 LYS A 43 -29.180 10.512 -13.368 1.00 35.14 H new ATOM 0 HG2 LYS A 43 -26.266 11.093 -13.737 1.00 22.34 H new ATOM 0 HG3 LYS A 43 -26.781 9.425 -13.895 1.00 22.34 H new ATOM 0 HD2 LYS A 43 -28.718 10.794 -15.352 1.00 21.54 H new ATOM 0 HD3 LYS A 43 -27.270 11.724 -15.681 1.00 21.54 H new ATOM 0 HE2 LYS A 43 -26.718 10.164 -17.212 1.00 72.41 H new ATOM 0 HE3 LYS A 43 -26.398 9.069 -15.882 1.00 72.41 H new ATOM 0 HZ1 LYS A 43 -27.942 8.105 -17.459 1.00 53.34 H new ATOM 0 HZ2 LYS A 43 -28.712 8.338 -15.963 1.00 53.34 H new ATOM 0 HZ3 LYS A 43 -29.022 9.399 -17.252 1.00 53.34 H new ATOM 343 N GLU A 44 -29.209 13.539 -13.986 1.00 22.44 N ATOM 344 CA GLU A 44 -29.230 14.523 -15.061 1.00 51.11 C ATOM 345 C GLU A 44 -28.448 15.774 -14.670 1.00 31.45 C ATOM 346 O GLU A 44 -27.577 16.232 -15.409 1.00 4.13 O ATOM 347 CB GLU A 44 -30.672 14.898 -15.410 1.00 43.45 C ATOM 348 CG GLU A 44 -30.984 14.799 -16.894 1.00 41.42 C ATOM 349 CD GLU A 44 -32.432 15.120 -17.208 1.00 74.23 C ATOM 350 OE1 GLU A 44 -32.846 16.277 -16.983 1.00 63.32 O ATOM 351 OE2 GLU A 44 -33.152 14.214 -17.678 1.00 54.44 O ATOM 0 H GLU A 44 -30.129 13.199 -13.706 1.00 22.44 H new ATOM 0 HA GLU A 44 -28.755 14.078 -15.936 1.00 51.11 H new ATOM 0 HB2 GLU A 44 -31.351 14.247 -14.860 1.00 43.45 H new ATOM 0 HB3 GLU A 44 -30.865 15.917 -15.074 1.00 43.45 H new ATOM 0 HG2 GLU A 44 -30.337 15.482 -17.444 1.00 41.42 H new ATOM 0 HG3 GLU A 44 -30.755 13.792 -17.243 1.00 41.42 H new ATOM 358 N LYS A 45 -28.766 16.322 -13.502 1.00 33.44 N ATOM 359 CA LYS A 45 -28.095 17.519 -13.009 1.00 62.53 C ATOM 360 C LYS A 45 -26.765 17.165 -12.351 1.00 60.42 C ATOM 361 O LYS A 45 -25.743 17.801 -12.612 1.00 20.05 O ATOM 362 CB LYS A 45 -28.990 18.256 -12.011 1.00 3.13 C ATOM 363 CG LYS A 45 -28.383 19.547 -11.489 1.00 13.13 C ATOM 364 CD LYS A 45 -28.034 19.443 -10.014 1.00 32.45 C ATOM 365 CE LYS A 45 -29.229 19.774 -9.133 1.00 75.51 C ATOM 366 NZ LYS A 45 -28.877 19.748 -7.686 1.00 43.25 N ATOM 0 H LYS A 45 -29.485 15.956 -12.878 1.00 33.44 H new ATOM 0 HA LYS A 45 -27.897 18.171 -13.860 1.00 62.53 H new ATOM 0 HB2 LYS A 45 -29.944 18.480 -12.488 1.00 3.13 H new ATOM 0 HB3 LYS A 45 -29.201 17.597 -11.169 1.00 3.13 H new ATOM 0 HG2 LYS A 45 -27.486 19.785 -12.060 1.00 13.13 H new ATOM 0 HG3 LYS A 45 -29.085 20.367 -11.641 1.00 13.13 H new ATOM 0 HD2 LYS A 45 -27.685 18.434 -9.792 1.00 32.45 H new ATOM 0 HD3 LYS A 45 -27.213 20.122 -9.785 1.00 32.45 H new ATOM 0 HE2 LYS A 45 -29.612 20.760 -9.396 1.00 75.51 H new ATOM 0 HE3 LYS A 45 -30.030 19.060 -9.325 1.00 75.51 H new ATOM 0 HZ1 LYS A 45 -29.716 19.488 -7.129 1.00 43.25 H new ATOM 0 HZ2 LYS A 45 -28.124 19.049 -7.524 1.00 43.25 H new ATOM 0 HZ3 LYS A 45 -28.545 20.689 -7.393 1.00 43.25 H new ATOM 380 N LEU A 46 -26.785 16.146 -11.499 1.00 64.41 N ATOM 381 CA LEU A 46 -25.579 15.706 -10.805 1.00 35.34 C ATOM 382 C LEU A 46 -24.445 15.451 -11.791 1.00 44.25 C ATOM 383 O LEU A 46 -23.386 16.072 -11.707 1.00 4.32 O ATOM 384 CB LEU A 46 -25.865 14.436 -10.000 1.00 53.51 C ATOM 385 CG LEU A 46 -24.652 13.571 -9.658 1.00 2.44 C ATOM 386 CD1 LEU A 46 -24.716 13.112 -8.209 1.00 63.23 C ATOM 387 CD2 LEU A 46 -24.567 12.376 -10.595 1.00 74.23 C ATOM 0 H LEU A 46 -27.622 15.609 -11.272 1.00 64.41 H new ATOM 0 HA LEU A 46 -25.272 16.500 -10.124 1.00 35.34 H new ATOM 0 HB2 LEU A 46 -26.356 14.722 -9.070 1.00 53.51 H new ATOM 0 HB3 LEU A 46 -26.574 13.827 -10.560 1.00 53.51 H new ATOM 0 HG LEU A 46 -23.752 14.173 -9.788 1.00 2.44 H new ATOM 0 HD11 LEU A 46 -23.845 12.497 -7.983 1.00 63.23 H new ATOM 0 HD12 LEU A 46 -24.727 13.982 -7.552 1.00 63.23 H new ATOM 0 HD13 LEU A 46 -25.623 12.528 -8.052 1.00 63.23 H new ATOM 0 HD21 LEU A 46 -23.697 11.772 -10.336 1.00 74.23 H new ATOM 0 HD22 LEU A 46 -25.470 11.773 -10.498 1.00 74.23 H new ATOM 0 HD23 LEU A 46 -24.473 12.726 -11.623 1.00 74.23 H new ATOM 399 N GLN A 47 -24.675 14.536 -12.727 1.00 70.21 N ATOM 400 CA GLN A 47 -23.672 14.201 -13.731 1.00 21.10 C ATOM 401 C GLN A 47 -23.134 15.459 -14.404 1.00 53.43 C ATOM 402 O GLN A 47 -21.926 15.617 -14.572 1.00 65.03 O ATOM 403 CB GLN A 47 -24.265 13.260 -14.781 1.00 50.01 C ATOM 404 CG GLN A 47 -23.219 12.583 -15.652 1.00 2.03 C ATOM 405 CD GLN A 47 -23.699 12.357 -17.072 1.00 21.43 C ATOM 406 OE1 GLN A 47 -24.055 13.301 -17.777 1.00 33.02 O ATOM 407 NE2 GLN A 47 -23.711 11.100 -17.500 1.00 24.55 N ATOM 0 H GLN A 47 -25.547 14.013 -12.811 1.00 70.21 H new ATOM 0 HA GLN A 47 -22.846 13.698 -13.229 1.00 21.10 H new ATOM 0 HB2 GLN A 47 -24.857 12.495 -14.278 1.00 50.01 H new ATOM 0 HB3 GLN A 47 -24.947 13.823 -15.418 1.00 50.01 H new ATOM 0 HG2 GLN A 47 -22.317 13.194 -15.671 1.00 2.03 H new ATOM 0 HG3 GLN A 47 -22.947 11.626 -15.208 1.00 2.03 H new ATOM 0 HE21 GLN A 47 -23.407 10.348 -16.882 1.00 24.55 H new ATOM 0 HE22 GLN A 47 -24.024 10.887 -18.447 1.00 24.55 H new ATOM 416 N ALA A 48 -24.041 16.352 -14.788 1.00 43.31 N ATOM 417 CA ALA A 48 -23.657 17.598 -15.442 1.00 33.54 C ATOM 418 C ALA A 48 -22.579 18.326 -14.646 1.00 33.20 C ATOM 419 O ALA A 48 -21.637 18.876 -15.217 1.00 42.01 O ATOM 420 CB ALA A 48 -24.874 18.492 -15.628 1.00 2.34 C ATOM 0 H ALA A 48 -25.046 16.236 -14.658 1.00 43.31 H new ATOM 0 HA ALA A 48 -23.246 17.355 -16.422 1.00 33.54 H new ATOM 0 HB1 ALA A 48 -24.573 19.419 -16.117 1.00 2.34 H new ATOM 0 HB2 ALA A 48 -25.612 17.979 -16.245 1.00 2.34 H new ATOM 0 HB3 ALA A 48 -25.310 18.720 -14.655 1.00 2.34 H new ATOM 426 N LEU A 49 -22.724 18.326 -13.326 1.00 11.35 N ATOM 427 CA LEU A 49 -21.762 18.988 -12.451 1.00 14.04 C ATOM 428 C LEU A 49 -20.451 18.210 -12.395 1.00 54.34 C ATOM 429 O LEU A 49 -19.369 18.790 -12.494 1.00 22.45 O ATOM 430 CB LEU A 49 -22.341 19.135 -11.042 1.00 72.13 C ATOM 431 CG LEU A 49 -22.399 20.558 -10.485 1.00 70.24 C ATOM 432 CD1 LEU A 49 -21.013 21.184 -10.476 1.00 31.13 C ATOM 433 CD2 LEU A 49 -23.365 21.409 -11.296 1.00 52.13 C ATOM 0 H LEU A 49 -23.498 17.875 -12.838 1.00 11.35 H new ATOM 0 HA LEU A 49 -21.559 19.978 -12.859 1.00 14.04 H new ATOM 0 HB2 LEU A 49 -23.351 18.725 -11.041 1.00 72.13 H new ATOM 0 HB3 LEU A 49 -21.748 18.524 -10.362 1.00 72.13 H new ATOM 0 HG LEU A 49 -22.761 20.511 -9.458 1.00 70.24 H new ATOM 0 HD11 LEU A 49 -21.074 22.196 -10.077 1.00 31.13 H new ATOM 0 HD12 LEU A 49 -20.348 20.587 -9.852 1.00 31.13 H new ATOM 0 HD13 LEU A 49 -20.623 21.218 -11.493 1.00 31.13 H new ATOM 0 HD21 LEU A 49 -23.394 22.418 -10.885 1.00 52.13 H new ATOM 0 HD22 LEU A 49 -23.032 21.448 -12.333 1.00 52.13 H new ATOM 0 HD23 LEU A 49 -24.362 20.971 -11.251 1.00 52.13 H new ATOM 445 N LEU A 50 -20.556 16.895 -12.240 1.00 10.22 N ATOM 446 CA LEU A 50 -19.378 16.037 -12.174 1.00 75.50 C ATOM 447 C LEU A 50 -18.466 16.271 -13.374 1.00 31.42 C ATOM 448 O LEU A 50 -17.242 16.265 -13.246 1.00 4.23 O ATOM 449 CB LEU A 50 -19.798 14.566 -12.117 1.00 5.54 C ATOM 450 CG LEU A 50 -20.663 14.161 -10.923 1.00 3.33 C ATOM 451 CD1 LEU A 50 -20.723 12.647 -10.796 1.00 64.15 C ATOM 452 CD2 LEU A 50 -20.129 14.784 -9.641 1.00 43.42 C ATOM 0 H LEU A 50 -21.444 16.400 -12.158 1.00 10.22 H new ATOM 0 HA LEU A 50 -18.826 16.287 -11.268 1.00 75.50 H new ATOM 0 HB2 LEU A 50 -20.342 14.328 -13.031 1.00 5.54 H new ATOM 0 HB3 LEU A 50 -18.898 13.952 -12.113 1.00 5.54 H new ATOM 0 HG LEU A 50 -21.674 14.532 -11.090 1.00 3.33 H new ATOM 0 HD11 LEU A 50 -21.343 12.378 -9.941 1.00 64.15 H new ATOM 0 HD12 LEU A 50 -21.152 12.222 -11.703 1.00 64.15 H new ATOM 0 HD13 LEU A 50 -19.717 12.254 -10.653 1.00 64.15 H new ATOM 0 HD21 LEU A 50 -20.757 14.485 -8.802 1.00 43.42 H new ATOM 0 HD22 LEU A 50 -19.108 14.444 -9.469 1.00 43.42 H new ATOM 0 HD23 LEU A 50 -20.139 15.870 -9.733 1.00 43.42 H new ATOM 464 N TYR A 51 -19.071 16.478 -14.538 1.00 65.23 N ATOM 465 CA TYR A 51 -18.313 16.714 -15.761 1.00 63.14 C ATOM 466 C TYR A 51 -17.704 18.113 -15.764 1.00 31.13 C ATOM 467 O TYR A 51 -16.561 18.304 -16.178 1.00 52.12 O ATOM 468 CB TYR A 51 -19.212 16.535 -16.986 1.00 24.31 C ATOM 469 CG TYR A 51 -18.503 16.780 -18.299 1.00 2.54 C ATOM 470 CD1 TYR A 51 -18.345 18.068 -18.795 1.00 52.34 C ATOM 471 CD2 TYR A 51 -17.990 15.724 -19.042 1.00 3.33 C ATOM 472 CE1 TYR A 51 -17.699 18.297 -19.995 1.00 1.23 C ATOM 473 CE2 TYR A 51 -17.341 15.944 -20.241 1.00 63.04 C ATOM 474 CZ TYR A 51 -17.198 17.232 -20.714 1.00 33.02 C ATOM 475 OH TYR A 51 -16.553 17.456 -21.908 1.00 64.12 O ATOM 0 H TYR A 51 -20.084 16.487 -14.661 1.00 65.23 H new ATOM 0 HA TYR A 51 -17.504 15.985 -15.802 1.00 63.14 H new ATOM 0 HB2 TYR A 51 -19.616 15.523 -16.985 1.00 24.31 H new ATOM 0 HB3 TYR A 51 -20.059 17.217 -16.907 1.00 24.31 H new ATOM 0 HD1 TYR A 51 -18.734 18.905 -18.233 1.00 52.34 H new ATOM 0 HD2 TYR A 51 -18.101 14.714 -18.676 1.00 3.33 H new ATOM 0 HE1 TYR A 51 -17.587 19.304 -20.368 1.00 1.23 H new ATOM 0 HE2 TYR A 51 -16.947 15.112 -20.806 1.00 63.04 H new ATOM 0 HH TYR A 51 -16.260 16.601 -22.287 1.00 64.12 H new ATOM 485 N ALA A 52 -18.477 19.088 -15.297 1.00 1.03 N ATOM 486 CA ALA A 52 -18.015 20.469 -15.242 1.00 4.33 C ATOM 487 C ALA A 52 -16.776 20.599 -14.362 1.00 11.03 C ATOM 488 O ALA A 52 -15.760 21.155 -14.781 1.00 24.44 O ATOM 489 CB ALA A 52 -19.124 21.377 -14.732 1.00 51.21 C ATOM 0 H ALA A 52 -19.426 18.947 -14.951 1.00 1.03 H new ATOM 0 HA ALA A 52 -17.745 20.776 -16.252 1.00 4.33 H new ATOM 0 HB1 ALA A 52 -18.765 22.405 -14.696 1.00 51.21 H new ATOM 0 HB2 ALA A 52 -19.982 21.315 -15.402 1.00 51.21 H new ATOM 0 HB3 ALA A 52 -19.421 21.062 -13.732 1.00 51.21 H new ATOM 495 N LEU A 53 -16.867 20.084 -13.141 1.00 13.14 N ATOM 496 CA LEU A 53 -15.753 20.143 -12.200 1.00 55.03 C ATOM 497 C LEU A 53 -14.610 19.242 -12.654 1.00 24.20 C ATOM 498 O LEU A 53 -13.443 19.513 -12.372 1.00 41.50 O ATOM 499 CB LEU A 53 -16.218 19.732 -10.802 1.00 73.52 C ATOM 500 CG LEU A 53 -17.021 18.433 -10.717 1.00 31.01 C ATOM 501 CD1 LEU A 53 -16.150 17.300 -10.197 1.00 11.14 C ATOM 502 CD2 LEU A 53 -18.244 18.619 -9.830 1.00 24.01 C ATOM 0 H LEU A 53 -17.700 19.621 -12.779 1.00 13.14 H new ATOM 0 HA LEU A 53 -15.390 21.170 -12.167 1.00 55.03 H new ATOM 0 HB2 LEU A 53 -15.340 19.636 -10.163 1.00 73.52 H new ATOM 0 HB3 LEU A 53 -16.825 20.539 -10.391 1.00 73.52 H new ATOM 0 HG LEU A 53 -17.360 18.172 -11.719 1.00 31.01 H new ATOM 0 HD11 LEU A 53 -16.738 16.384 -10.143 1.00 11.14 H new ATOM 0 HD12 LEU A 53 -15.307 17.151 -10.871 1.00 11.14 H new ATOM 0 HD13 LEU A 53 -15.780 17.552 -9.203 1.00 11.14 H new ATOM 0 HD21 LEU A 53 -18.803 17.685 -9.781 1.00 24.01 H new ATOM 0 HD22 LEU A 53 -17.926 18.905 -8.827 1.00 24.01 H new ATOM 0 HD23 LEU A 53 -18.879 19.401 -10.246 1.00 24.01 H new ATOM 514 N ALA A 54 -14.952 18.169 -13.360 1.00 54.30 N ATOM 515 CA ALA A 54 -13.954 17.231 -13.857 1.00 31.53 C ATOM 516 C ALA A 54 -13.095 17.867 -14.944 1.00 22.02 C ATOM 517 O ALA A 54 -11.866 17.828 -14.880 1.00 32.14 O ATOM 518 CB ALA A 54 -14.629 15.972 -14.383 1.00 44.43 C ATOM 0 H ALA A 54 -15.914 17.928 -13.600 1.00 54.30 H new ATOM 0 HA ALA A 54 -13.301 16.960 -13.027 1.00 31.53 H new ATOM 0 HB1 ALA A 54 -13.872 15.280 -14.751 1.00 44.43 H new ATOM 0 HB2 ALA A 54 -15.193 15.499 -13.579 1.00 44.43 H new ATOM 0 HB3 ALA A 54 -15.306 16.235 -15.196 1.00 44.43 H new ATOM 524 N SER A 55 -13.749 18.452 -15.942 1.00 11.20 N ATOM 525 CA SER A 55 -13.044 19.093 -17.046 1.00 14.31 C ATOM 526 C SER A 55 -12.015 20.092 -16.526 1.00 50.33 C ATOM 527 O SER A 55 -10.987 20.328 -17.161 1.00 53.53 O ATOM 528 CB SER A 55 -14.037 19.801 -17.970 1.00 71.12 C ATOM 529 OG SER A 55 -13.450 20.085 -19.228 1.00 65.10 O ATOM 0 H SER A 55 -14.766 18.495 -16.009 1.00 11.20 H new ATOM 0 HA SER A 55 -12.522 18.320 -17.609 1.00 14.31 H new ATOM 0 HB2 SER A 55 -14.918 19.175 -18.110 1.00 71.12 H new ATOM 0 HB3 SER A 55 -14.374 20.727 -17.505 1.00 71.12 H new ATOM 0 HG SER A 55 -14.105 20.536 -19.800 1.00 65.10 H new ATOM 535 N SER A 56 -12.299 20.676 -15.367 1.00 14.24 N ATOM 536 CA SER A 56 -11.401 21.653 -14.762 1.00 32.00 C ATOM 537 C SER A 56 -10.007 21.063 -14.570 1.00 52.54 C ATOM 538 O SER A 56 -9.016 21.791 -14.519 1.00 53.41 O ATOM 539 CB SER A 56 -11.957 22.125 -13.417 1.00 32.51 C ATOM 540 OG SER A 56 -11.696 23.502 -13.212 1.00 3.13 O ATOM 0 H SER A 56 -13.144 20.490 -14.827 1.00 14.24 H new ATOM 0 HA SER A 56 -11.326 22.507 -15.435 1.00 32.00 H new ATOM 0 HB2 SER A 56 -13.032 21.946 -13.381 1.00 32.51 H new ATOM 0 HB3 SER A 56 -11.510 21.543 -12.611 1.00 32.51 H new ATOM 0 HG SER A 56 -12.063 23.779 -12.347 1.00 3.13 H new ATOM 546 N GLN A 57 -9.940 19.740 -14.465 1.00 55.23 N ATOM 547 CA GLN A 57 -8.668 19.052 -14.279 1.00 14.45 C ATOM 548 C GLN A 57 -8.266 18.300 -15.543 1.00 4.24 C ATOM 549 O GLN A 57 -7.344 18.704 -16.250 1.00 63.11 O ATOM 550 CB GLN A 57 -8.758 18.082 -13.100 1.00 23.43 C ATOM 551 CG GLN A 57 -8.941 18.770 -11.757 1.00 5.41 C ATOM 552 CD GLN A 57 -7.679 19.463 -11.280 1.00 32.02 C ATOM 553 OE1 GLN A 57 -6.621 18.843 -11.169 1.00 41.40 O ATOM 554 NE2 GLN A 57 -7.785 20.755 -10.994 1.00 51.53 N ATOM 0 H GLN A 57 -10.751 19.123 -14.506 1.00 55.23 H new ATOM 0 HA GLN A 57 -7.905 19.801 -14.067 1.00 14.45 H new ATOM 0 HB2 GLN A 57 -9.591 17.399 -13.265 1.00 23.43 H new ATOM 0 HB3 GLN A 57 -7.852 17.477 -13.068 1.00 23.43 H new ATOM 0 HG2 GLN A 57 -9.746 19.501 -11.834 1.00 5.41 H new ATOM 0 HG3 GLN A 57 -9.250 18.034 -11.015 1.00 5.41 H new ATOM 0 HE21 GLN A 57 -8.682 21.229 -11.101 1.00 51.53 H new ATOM 0 HE22 GLN A 57 -6.970 21.274 -10.668 1.00 51.53 H new ATOM 563 N GLY A 58 -8.963 17.203 -15.820 1.00 75.14 N ATOM 564 CA GLY A 58 -8.663 16.411 -16.999 1.00 51.30 C ATOM 565 C GLY A 58 -9.879 16.197 -17.879 1.00 43.50 C ATOM 566 O GLY A 58 -11.000 16.527 -17.491 1.00 42.35 O ATOM 0 H GLY A 58 -9.730 16.848 -15.249 1.00 75.14 H new ATOM 0 HA2 GLY A 58 -7.883 16.907 -17.577 1.00 51.30 H new ATOM 0 HA3 GLY A 58 -8.266 15.444 -16.692 1.00 51.30 H new ATOM 570 N ASP A 59 -9.657 15.646 -19.067 1.00 33.41 N ATOM 571 CA ASP A 59 -10.744 15.389 -20.005 1.00 62.31 C ATOM 572 C ASP A 59 -11.557 14.172 -19.574 1.00 54.34 C ATOM 573 O ASP A 59 -11.002 13.169 -19.125 1.00 42.33 O ATOM 574 CB ASP A 59 -10.189 15.174 -21.414 1.00 53.03 C ATOM 575 CG ASP A 59 -9.919 16.480 -22.135 1.00 53.04 C ATOM 576 OD1 ASP A 59 -10.881 17.075 -22.664 1.00 13.21 O ATOM 577 OD2 ASP A 59 -8.746 16.906 -22.172 1.00 1.51 O ATOM 0 H ASP A 59 -8.735 15.369 -19.403 1.00 33.41 H new ATOM 0 HA ASP A 59 -11.401 16.259 -20.010 1.00 62.31 H new ATOM 0 HB2 ASP A 59 -9.266 14.598 -21.354 1.00 53.03 H new ATOM 0 HB3 ASP A 59 -10.897 14.582 -21.994 1.00 53.03 H new ATOM 582 N ILE A 60 -12.875 14.269 -19.714 1.00 32.14 N ATOM 583 CA ILE A 60 -13.765 13.177 -19.339 1.00 24.51 C ATOM 584 C ILE A 60 -14.222 12.395 -20.566 1.00 33.14 C ATOM 585 O ILE A 60 -14.602 12.979 -21.581 1.00 74.14 O ATOM 586 CB ILE A 60 -15.002 13.693 -18.582 1.00 34.33 C ATOM 587 CG1 ILE A 60 -14.576 14.543 -17.383 1.00 32.31 C ATOM 588 CG2 ILE A 60 -15.871 12.528 -18.130 1.00 41.12 C ATOM 589 CD1 ILE A 60 -14.403 16.009 -17.713 1.00 22.32 C ATOM 0 H ILE A 60 -13.350 15.092 -20.084 1.00 32.14 H new ATOM 0 HA ILE A 60 -13.197 12.518 -18.682 1.00 24.51 H new ATOM 0 HB ILE A 60 -15.588 14.318 -19.257 1.00 34.33 H new ATOM 0 HG12 ILE A 60 -15.321 14.442 -16.593 1.00 32.31 H new ATOM 0 HG13 ILE A 60 -13.637 14.155 -16.988 1.00 32.31 H new ATOM 0 HG21 ILE A 60 -16.742 12.909 -17.596 1.00 41.12 H new ATOM 0 HG22 ILE A 60 -16.199 11.960 -19.000 1.00 41.12 H new ATOM 0 HG23 ILE A 60 -15.295 11.880 -17.469 1.00 41.12 H new ATOM 0 HD11 ILE A 60 -14.101 16.550 -16.817 1.00 22.32 H new ATOM 0 HD12 ILE A 60 -13.637 16.121 -18.480 1.00 22.32 H new ATOM 0 HD13 ILE A 60 -15.346 16.413 -18.080 1.00 22.32 H new ATOM 601 N LEU A 61 -14.185 11.071 -20.464 1.00 72.13 N ATOM 602 CA LEU A 61 -14.598 10.207 -21.565 1.00 52.42 C ATOM 603 C LEU A 61 -16.020 9.697 -21.353 1.00 23.31 C ATOM 604 O LEU A 61 -16.741 9.421 -22.312 1.00 64.10 O ATOM 605 CB LEU A 61 -13.635 9.027 -21.702 1.00 72.23 C ATOM 606 CG LEU A 61 -12.153 9.342 -21.497 1.00 11.21 C ATOM 607 CD1 LEU A 61 -11.298 8.128 -21.826 1.00 54.22 C ATOM 608 CD2 LEU A 61 -11.739 10.535 -22.347 1.00 21.33 C ATOM 0 H LEU A 61 -13.873 10.572 -19.631 1.00 72.13 H new ATOM 0 HA LEU A 61 -14.576 10.794 -22.483 1.00 52.42 H new ATOM 0 HB2 LEU A 61 -13.926 8.261 -20.983 1.00 72.23 H new ATOM 0 HB3 LEU A 61 -13.760 8.595 -22.695 1.00 72.23 H new ATOM 0 HG LEU A 61 -11.997 9.596 -20.449 1.00 11.21 H new ATOM 0 HD11 LEU A 61 -10.246 8.372 -21.674 1.00 54.22 H new ATOM 0 HD12 LEU A 61 -11.576 7.300 -21.175 1.00 54.22 H new ATOM 0 HD13 LEU A 61 -11.458 7.842 -22.865 1.00 54.22 H new ATOM 0 HD21 LEU A 61 -10.681 10.745 -22.189 1.00 21.33 H new ATOM 0 HD22 LEU A 61 -11.910 10.309 -23.399 1.00 21.33 H new ATOM 0 HD23 LEU A 61 -12.329 11.407 -22.063 1.00 21.33 H new ATOM 620 N ASP A 62 -16.417 9.575 -20.091 1.00 42.31 N ATOM 621 CA ASP A 62 -17.754 9.101 -19.752 1.00 43.24 C ATOM 622 C ASP A 62 -17.947 9.054 -18.240 1.00 3.21 C ATOM 623 O ASP A 62 -17.166 8.426 -17.524 1.00 72.22 O ATOM 624 CB ASP A 62 -17.994 7.715 -20.353 1.00 42.20 C ATOM 625 CG ASP A 62 -19.311 7.627 -21.098 1.00 52.31 C ATOM 626 OD1 ASP A 62 -19.701 8.629 -21.733 1.00 41.14 O ATOM 627 OD2 ASP A 62 -19.953 6.557 -21.045 1.00 40.11 O ATOM 0 H ASP A 62 -15.832 9.798 -19.286 1.00 42.31 H new ATOM 0 HA ASP A 62 -18.478 9.800 -20.170 1.00 43.24 H new ATOM 0 HB2 ASP A 62 -17.178 7.471 -21.033 1.00 42.20 H new ATOM 0 HB3 ASP A 62 -17.979 6.970 -19.558 1.00 42.20 H new ATOM 632 N ILE A 63 -18.990 9.723 -17.761 1.00 3.33 N ATOM 633 CA ILE A 63 -19.285 9.757 -16.334 1.00 4.54 C ATOM 634 C ILE A 63 -20.489 8.884 -16.000 1.00 21.40 C ATOM 635 O ILE A 63 -21.618 9.193 -16.380 1.00 73.30 O ATOM 636 CB ILE A 63 -19.557 11.194 -15.849 1.00 61.12 C ATOM 637 CG1 ILE A 63 -18.386 12.109 -16.213 1.00 25.32 C ATOM 638 CG2 ILE A 63 -19.802 11.209 -14.348 1.00 4.02 C ATOM 639 CD1 ILE A 63 -18.552 13.528 -15.718 1.00 45.52 C ATOM 0 H ILE A 63 -19.645 10.249 -18.340 1.00 3.33 H new ATOM 0 HA ILE A 63 -18.405 9.369 -15.821 1.00 4.54 H new ATOM 0 HB ILE A 63 -20.452 11.566 -16.347 1.00 61.12 H new ATOM 0 HG12 ILE A 63 -17.468 11.693 -15.798 1.00 25.32 H new ATOM 0 HG13 ILE A 63 -18.269 12.122 -17.297 1.00 25.32 H new ATOM 0 HG21 ILE A 63 -19.993 12.231 -14.021 1.00 4.02 H new ATOM 0 HG22 ILE A 63 -20.665 10.586 -14.114 1.00 4.02 H new ATOM 0 HG23 ILE A 63 -18.924 10.821 -13.832 1.00 4.02 H new ATOM 0 HD11 ILE A 63 -17.685 14.120 -16.012 1.00 45.52 H new ATOM 0 HD12 ILE A 63 -19.452 13.962 -16.153 1.00 45.52 H new ATOM 0 HD13 ILE A 63 -18.639 13.527 -14.631 1.00 45.52 H new ATOM 651 N VAL A 64 -20.240 7.791 -15.285 1.00 73.21 N ATOM 652 CA VAL A 64 -21.304 6.873 -14.897 1.00 34.21 C ATOM 653 C VAL A 64 -21.861 7.226 -13.522 1.00 65.11 C ATOM 654 O VAL A 64 -21.132 7.694 -12.647 1.00 40.53 O ATOM 655 CB VAL A 64 -20.809 5.415 -14.879 1.00 61.50 C ATOM 656 CG1 VAL A 64 -21.945 4.468 -14.523 1.00 14.51 C ATOM 657 CG2 VAL A 64 -20.196 5.044 -16.221 1.00 75.13 C ATOM 0 H VAL A 64 -19.311 7.520 -14.963 1.00 73.21 H new ATOM 0 HA VAL A 64 -22.094 6.972 -15.642 1.00 34.21 H new ATOM 0 HB VAL A 64 -20.038 5.322 -14.114 1.00 61.50 H new ATOM 0 HG11 VAL A 64 -21.575 3.443 -14.516 1.00 14.51 H new ATOM 0 HG12 VAL A 64 -22.334 4.721 -13.537 1.00 14.51 H new ATOM 0 HG13 VAL A 64 -22.741 4.561 -15.262 1.00 14.51 H new ATOM 0 HG21 VAL A 64 -19.852 4.010 -16.190 1.00 75.13 H new ATOM 0 HG22 VAL A 64 -20.944 5.154 -17.006 1.00 75.13 H new ATOM 0 HG23 VAL A 64 -19.352 5.702 -16.430 1.00 75.13 H new ATOM 667 N VAL A 65 -23.157 6.997 -13.338 1.00 0.54 N ATOM 668 CA VAL A 65 -23.812 7.290 -12.068 1.00 63.11 C ATOM 669 C VAL A 65 -24.807 6.196 -11.698 1.00 70.13 C ATOM 670 O VAL A 65 -25.618 5.775 -12.524 1.00 2.22 O ATOM 671 CB VAL A 65 -24.546 8.643 -12.114 1.00 34.10 C ATOM 672 CG1 VAL A 65 -25.194 8.945 -10.771 1.00 71.22 C ATOM 673 CG2 VAL A 65 -23.589 9.755 -12.516 1.00 32.14 C ATOM 0 H VAL A 65 -23.774 6.610 -14.052 1.00 0.54 H new ATOM 0 HA VAL A 65 -23.029 7.336 -11.311 1.00 63.11 H new ATOM 0 HB VAL A 65 -25.334 8.584 -12.865 1.00 34.10 H new ATOM 0 HG11 VAL A 65 -25.708 9.905 -10.823 1.00 71.22 H new ATOM 0 HG12 VAL A 65 -25.912 8.161 -10.529 1.00 71.22 H new ATOM 0 HG13 VAL A 65 -24.427 8.985 -9.998 1.00 71.22 H new ATOM 0 HG21 VAL A 65 -24.125 10.704 -12.543 1.00 32.14 H new ATOM 0 HG22 VAL A 65 -22.778 9.817 -11.790 1.00 32.14 H new ATOM 0 HG23 VAL A 65 -23.178 9.542 -13.503 1.00 32.14 H new ATOM 683 N ASP A 66 -24.740 5.740 -10.453 1.00 31.54 N ATOM 684 CA ASP A 66 -25.637 4.695 -9.972 1.00 22.32 C ATOM 685 C ASP A 66 -27.088 5.164 -10.010 1.00 42.00 C ATOM 686 O ASP A 66 -27.422 6.127 -10.701 1.00 0.51 O ATOM 687 CB ASP A 66 -25.258 4.283 -8.548 1.00 51.32 C ATOM 688 CG ASP A 66 -25.275 2.780 -8.356 1.00 74.42 C ATOM 689 OD1 ASP A 66 -24.910 2.056 -9.306 1.00 54.43 O ATOM 690 OD2 ASP A 66 -25.655 2.326 -7.256 1.00 62.21 O ATOM 0 H ASP A 66 -24.074 6.077 -9.758 1.00 31.54 H new ATOM 0 HA ASP A 66 -25.536 3.832 -10.631 1.00 22.32 H new ATOM 0 HB2 ASP A 66 -24.264 4.665 -8.315 1.00 51.32 H new ATOM 0 HB3 ASP A 66 -25.950 4.744 -7.843 1.00 51.32 H new ATOM 695 N LEU A 67 -27.946 4.477 -9.265 1.00 32.24 N ATOM 696 CA LEU A 67 -29.363 4.822 -9.214 1.00 4.34 C ATOM 697 C LEU A 67 -29.644 5.798 -8.075 1.00 75.15 C ATOM 698 O LEU A 67 -30.789 5.962 -7.654 1.00 74.32 O ATOM 699 CB LEU A 67 -30.210 3.560 -9.040 1.00 44.44 C ATOM 700 CG LEU A 67 -29.728 2.569 -7.981 1.00 30.13 C ATOM 701 CD1 LEU A 67 -28.648 1.662 -8.550 1.00 34.40 C ATOM 702 CD2 LEU A 67 -29.214 3.308 -6.754 1.00 21.34 C ATOM 0 H LEU A 67 -27.686 3.677 -8.688 1.00 32.24 H new ATOM 0 HA LEU A 67 -29.629 5.303 -10.155 1.00 4.34 H new ATOM 0 HB2 LEU A 67 -31.227 3.861 -8.791 1.00 44.44 H new ATOM 0 HB3 LEU A 67 -30.256 3.043 -9.998 1.00 44.44 H new ATOM 0 HG LEU A 67 -30.573 1.949 -7.680 1.00 30.13 H new ATOM 0 HD11 LEU A 67 -28.317 0.963 -7.781 1.00 34.40 H new ATOM 0 HD12 LEU A 67 -29.049 1.106 -9.397 1.00 34.40 H new ATOM 0 HD13 LEU A 67 -27.802 2.266 -8.880 1.00 34.40 H new ATOM 0 HD21 LEU A 67 -28.875 2.587 -6.010 1.00 21.34 H new ATOM 0 HD22 LEU A 67 -28.383 3.953 -7.039 1.00 21.34 H new ATOM 0 HD23 LEU A 67 -30.016 3.914 -6.332 1.00 21.34 H new ATOM 714 N SER A 68 -28.593 6.445 -7.583 1.00 42.05 N ATOM 715 CA SER A 68 -28.727 7.404 -6.493 1.00 22.21 C ATOM 716 C SER A 68 -29.499 6.795 -5.326 1.00 52.24 C ATOM 717 O SER A 68 -30.563 7.287 -4.948 1.00 25.22 O ATOM 718 CB SER A 68 -29.433 8.669 -6.982 1.00 54.43 C ATOM 719 OG SER A 68 -29.099 8.951 -8.330 1.00 52.23 O ATOM 0 H SER A 68 -27.639 6.323 -7.922 1.00 42.05 H new ATOM 0 HA SER A 68 -27.727 7.666 -6.147 1.00 22.21 H new ATOM 0 HB2 SER A 68 -30.512 8.546 -6.890 1.00 54.43 H new ATOM 0 HB3 SER A 68 -29.153 9.512 -6.351 1.00 54.43 H new ATOM 0 HG SER A 68 -29.564 9.763 -8.619 1.00 52.23 H new ATOM 725 N ASP A 69 -28.956 5.723 -4.761 1.00 73.43 N ATOM 726 CA ASP A 69 -29.593 5.046 -3.637 1.00 4.01 C ATOM 727 C ASP A 69 -29.410 5.843 -2.349 1.00 52.32 C ATOM 728 O ASP A 69 -28.400 6.522 -2.165 1.00 44.04 O ATOM 729 CB ASP A 69 -29.015 3.640 -3.467 1.00 40.01 C ATOM 730 CG ASP A 69 -30.063 2.559 -3.642 1.00 60.40 C ATOM 731 OD1 ASP A 69 -30.965 2.737 -4.488 1.00 25.21 O ATOM 732 OD2 ASP A 69 -29.981 1.534 -2.934 1.00 32.43 O ATOM 0 H ASP A 69 -28.076 5.304 -5.062 1.00 73.43 H new ATOM 0 HA ASP A 69 -30.660 4.969 -3.848 1.00 4.01 H new ATOM 0 HB2 ASP A 69 -28.216 3.488 -4.193 1.00 40.01 H new ATOM 0 HB3 ASP A 69 -28.567 3.551 -2.477 1.00 40.01 H new ATOM 737 N ASP A 70 -30.395 5.757 -1.462 1.00 1.03 N ATOM 738 CA ASP A 70 -30.343 6.470 -0.191 1.00 14.32 C ATOM 739 C ASP A 70 -29.353 5.810 0.763 1.00 35.45 C ATOM 740 O ASP A 70 -29.067 6.335 1.838 1.00 12.42 O ATOM 741 CB ASP A 70 -31.732 6.518 0.448 1.00 12.41 C ATOM 742 CG ASP A 70 -32.832 6.730 -0.573 1.00 54.43 C ATOM 743 OD1 ASP A 70 -32.646 7.566 -1.482 1.00 45.52 O ATOM 744 OD2 ASP A 70 -33.880 6.060 -0.464 1.00 62.42 O ATOM 0 H ASP A 70 -31.239 5.201 -1.600 1.00 1.03 H new ATOM 0 HA ASP A 70 -30.006 7.488 -0.387 1.00 14.32 H new ATOM 0 HB2 ASP A 70 -31.914 5.587 0.986 1.00 12.41 H new ATOM 0 HB3 ASP A 70 -31.763 7.322 1.183 1.00 12.41 H new ATOM 749 N ASN A 71 -28.835 4.653 0.363 1.00 41.32 N ATOM 750 CA ASN A 71 -27.878 3.920 1.183 1.00 31.43 C ATOM 751 C ASN A 71 -26.548 3.758 0.454 1.00 22.12 C ATOM 752 O ASN A 71 -25.554 3.331 1.042 1.00 41.11 O ATOM 753 CB ASN A 71 -28.440 2.545 1.553 1.00 11.42 C ATOM 754 CG ASN A 71 -28.428 2.300 3.050 1.00 72.34 C ATOM 755 OD1 ASN A 71 -27.455 2.615 3.734 1.00 3.10 O ATOM 756 ND2 ASN A 71 -29.513 1.733 3.565 1.00 54.43 N ATOM 0 H ASN A 71 -29.062 4.203 -0.524 1.00 41.32 H new ATOM 0 HA ASN A 71 -27.705 4.492 2.094 1.00 31.43 H new ATOM 0 HB2 ASN A 71 -29.461 2.461 1.182 1.00 11.42 H new ATOM 0 HB3 ASN A 71 -27.856 1.771 1.056 1.00 11.42 H new ATOM 0 HD21 ASN A 71 -29.563 1.542 4.566 1.00 54.43 H new ATOM 0 HD22 ASN A 71 -30.297 1.488 2.960 1.00 54.43 H new ATOM 763 N SER A 72 -26.537 4.102 -0.830 1.00 10.45 N ATOM 764 CA SER A 72 -25.330 3.993 -1.640 1.00 70.44 C ATOM 765 C SER A 72 -24.868 5.367 -2.116 1.00 33.20 C ATOM 766 O SER A 72 -23.877 5.905 -1.626 1.00 24.13 O ATOM 767 CB SER A 72 -25.580 3.081 -2.844 1.00 4.34 C ATOM 768 OG SER A 72 -24.814 1.892 -2.750 1.00 51.43 O ATOM 0 H SER A 72 -27.351 4.459 -1.331 1.00 10.45 H new ATOM 0 HA SER A 72 -24.544 3.560 -1.021 1.00 70.44 H new ATOM 0 HB2 SER A 72 -26.639 2.831 -2.902 1.00 4.34 H new ATOM 0 HB3 SER A 72 -25.327 3.609 -3.763 1.00 4.34 H new ATOM 0 HG SER A 72 -24.992 1.325 -3.530 1.00 51.43 H new ATOM 774 N GLY A 73 -25.596 5.929 -3.076 1.00 12.40 N ATOM 775 CA GLY A 73 -25.247 7.236 -3.603 1.00 23.40 C ATOM 776 C GLY A 73 -23.784 7.333 -3.988 1.00 61.24 C ATOM 777 O GLY A 73 -22.948 7.743 -3.183 1.00 44.44 O ATOM 0 H GLY A 73 -26.421 5.503 -3.498 1.00 12.40 H new ATOM 0 HA2 GLY A 73 -25.864 7.449 -4.476 1.00 23.40 H new ATOM 0 HA3 GLY A 73 -25.475 7.998 -2.857 1.00 23.40 H new ATOM 781 N LYS A 74 -23.472 6.953 -5.223 1.00 34.32 N ATOM 782 CA LYS A 74 -22.101 6.998 -5.715 1.00 4.03 C ATOM 783 C LYS A 74 -22.070 7.236 -7.221 1.00 53.10 C ATOM 784 O LYS A 74 -23.113 7.400 -7.854 1.00 62.51 O ATOM 785 CB LYS A 74 -21.373 5.694 -5.379 1.00 13.00 C ATOM 786 CG LYS A 74 -22.027 4.461 -5.979 1.00 1.22 C ATOM 787 CD LYS A 74 -22.099 3.324 -4.974 1.00 72.40 C ATOM 788 CE LYS A 74 -21.014 2.288 -5.226 1.00 31.12 C ATOM 789 NZ LYS A 74 -21.298 1.006 -4.524 1.00 21.51 N ATOM 0 H LYS A 74 -24.152 6.610 -5.902 1.00 34.32 H new ATOM 0 HA LYS A 74 -21.593 7.828 -5.224 1.00 4.03 H new ATOM 0 HB2 LYS A 74 -20.345 5.759 -5.735 1.00 13.00 H new ATOM 0 HB3 LYS A 74 -21.329 5.581 -4.296 1.00 13.00 H new ATOM 0 HG2 LYS A 74 -23.032 4.710 -6.320 1.00 1.22 H new ATOM 0 HG3 LYS A 74 -21.464 4.139 -6.855 1.00 1.22 H new ATOM 0 HD2 LYS A 74 -21.996 3.722 -3.965 1.00 72.40 H new ATOM 0 HD3 LYS A 74 -23.078 2.848 -5.031 1.00 72.40 H new ATOM 0 HE2 LYS A 74 -20.929 2.104 -6.297 1.00 31.12 H new ATOM 0 HE3 LYS A 74 -20.053 2.680 -4.892 1.00 31.12 H new ATOM 0 HZ1 LYS A 74 -20.536 0.326 -4.721 1.00 21.51 H new ATOM 0 HZ2 LYS A 74 -21.354 1.176 -3.500 1.00 21.51 H new ATOM 0 HZ3 LYS A 74 -22.203 0.619 -4.861 1.00 21.51 H new ATOM 803 N ALA A 75 -20.869 7.253 -7.789 1.00 22.22 N ATOM 804 CA ALA A 75 -20.704 7.467 -9.221 1.00 43.11 C ATOM 805 C ALA A 75 -19.272 7.178 -9.658 1.00 5.00 C ATOM 806 O ALA A 75 -18.423 6.820 -8.841 1.00 12.14 O ATOM 807 CB ALA A 75 -21.093 8.891 -9.590 1.00 62.00 C ATOM 0 H ALA A 75 -19.996 7.121 -7.279 1.00 22.22 H new ATOM 0 HA ALA A 75 -21.363 6.774 -9.745 1.00 43.11 H new ATOM 0 HB1 ALA A 75 -20.965 9.037 -10.663 1.00 62.00 H new ATOM 0 HB2 ALA A 75 -22.135 9.064 -9.322 1.00 62.00 H new ATOM 0 HB3 ALA A 75 -20.458 9.593 -9.050 1.00 62.00 H new ATOM 813 N TYR A 76 -19.009 7.335 -10.951 1.00 34.33 N ATOM 814 CA TYR A 76 -17.680 7.087 -11.496 1.00 52.25 C ATOM 815 C TYR A 76 -17.373 8.050 -12.639 1.00 44.03 C ATOM 816 O TYR A 76 -18.150 8.176 -13.586 1.00 32.22 O ATOM 817 CB TYR A 76 -17.568 5.643 -11.987 1.00 73.15 C ATOM 818 CG TYR A 76 -18.278 4.645 -11.101 1.00 14.23 C ATOM 819 CD1 TYR A 76 -19.635 4.388 -11.259 1.00 23.32 C ATOM 820 CD2 TYR A 76 -17.594 3.961 -10.104 1.00 64.32 C ATOM 821 CE1 TYR A 76 -20.288 3.477 -10.451 1.00 1.55 C ATOM 822 CE2 TYR A 76 -18.238 3.048 -9.292 1.00 73.24 C ATOM 823 CZ TYR A 76 -19.585 2.810 -9.469 1.00 74.22 C ATOM 824 OH TYR A 76 -20.232 1.902 -8.662 1.00 4.25 O ATOM 0 H TYR A 76 -19.699 7.633 -11.641 1.00 34.33 H new ATOM 0 HA TYR A 76 -16.952 7.250 -10.701 1.00 52.25 H new ATOM 0 HB2 TYR A 76 -17.979 5.578 -12.995 1.00 73.15 H new ATOM 0 HB3 TYR A 76 -16.514 5.372 -12.054 1.00 73.15 H new ATOM 0 HD1 TYR A 76 -20.188 4.909 -12.026 1.00 23.32 H new ATOM 0 HD2 TYR A 76 -16.540 4.146 -9.961 1.00 64.32 H new ATOM 0 HE1 TYR A 76 -21.343 3.288 -10.587 1.00 1.55 H new ATOM 0 HE2 TYR A 76 -17.690 2.524 -8.523 1.00 73.24 H new ATOM 0 HH TYR A 76 -19.595 1.520 -8.023 1.00 4.25 H new ATOM 834 N ILE A 77 -16.233 8.727 -12.544 1.00 31.44 N ATOM 835 CA ILE A 77 -15.821 9.677 -13.569 1.00 61.33 C ATOM 836 C ILE A 77 -14.643 9.139 -14.375 1.00 10.31 C ATOM 837 O ILE A 77 -13.514 9.091 -13.887 1.00 44.53 O ATOM 838 CB ILE A 77 -15.432 11.034 -12.955 1.00 44.42 C ATOM 839 CG1 ILE A 77 -16.512 11.506 -11.980 1.00 1.22 C ATOM 840 CG2 ILE A 77 -15.211 12.067 -14.050 1.00 54.33 C ATOM 841 CD1 ILE A 77 -16.207 12.843 -11.340 1.00 63.35 C ATOM 0 H ILE A 77 -15.579 8.635 -11.767 1.00 31.44 H new ATOM 0 HA ILE A 77 -16.676 9.819 -14.230 1.00 61.33 H new ATOM 0 HB ILE A 77 -14.500 10.913 -12.404 1.00 44.42 H new ATOM 0 HG12 ILE A 77 -17.463 11.574 -12.509 1.00 1.22 H new ATOM 0 HG13 ILE A 77 -16.636 10.758 -11.197 1.00 1.22 H new ATOM 0 HG21 ILE A 77 -14.937 13.021 -13.600 1.00 54.33 H new ATOM 0 HG22 ILE A 77 -14.410 11.733 -14.709 1.00 54.33 H new ATOM 0 HG23 ILE A 77 -16.128 12.188 -14.626 1.00 54.33 H new ATOM 0 HD11 ILE A 77 -17.016 13.114 -10.661 1.00 63.35 H new ATOM 0 HD12 ILE A 77 -15.273 12.775 -10.783 1.00 63.35 H new ATOM 0 HD13 ILE A 77 -16.113 13.604 -12.115 1.00 63.35 H new ATOM 853 N VAL A 78 -14.914 8.737 -15.613 1.00 20.05 N ATOM 854 CA VAL A 78 -13.876 8.206 -16.488 1.00 73.51 C ATOM 855 C VAL A 78 -13.112 9.329 -17.179 1.00 51.05 C ATOM 856 O VAL A 78 -13.705 10.185 -17.837 1.00 30.13 O ATOM 857 CB VAL A 78 -14.470 7.269 -17.557 1.00 45.25 C ATOM 858 CG1 VAL A 78 -13.361 6.599 -18.355 1.00 31.34 C ATOM 859 CG2 VAL A 78 -15.376 6.232 -16.913 1.00 33.32 C ATOM 0 H VAL A 78 -15.843 8.769 -16.032 1.00 20.05 H new ATOM 0 HA VAL A 78 -13.190 7.639 -15.859 1.00 73.51 H new ATOM 0 HB VAL A 78 -15.071 7.865 -18.244 1.00 45.25 H new ATOM 0 HG11 VAL A 78 -13.799 5.941 -19.105 1.00 31.34 H new ATOM 0 HG12 VAL A 78 -12.757 7.360 -18.848 1.00 31.34 H new ATOM 0 HG13 VAL A 78 -12.731 6.015 -17.684 1.00 31.34 H new ATOM 0 HG21 VAL A 78 -15.787 5.579 -17.683 1.00 33.32 H new ATOM 0 HG22 VAL A 78 -14.801 5.638 -16.202 1.00 33.32 H new ATOM 0 HG23 VAL A 78 -16.191 6.734 -16.391 1.00 33.32 H new ATOM 869 N PHE A 79 -11.792 9.320 -17.027 1.00 50.23 N ATOM 870 CA PHE A 79 -10.945 10.339 -17.637 1.00 14.12 C ATOM 871 C PHE A 79 -10.134 9.754 -18.789 1.00 41.10 C ATOM 872 O PHE A 79 -10.185 8.553 -19.051 1.00 74.13 O ATOM 873 CB PHE A 79 -10.005 10.944 -16.592 1.00 35.44 C ATOM 874 CG PHE A 79 -10.694 11.871 -15.631 1.00 61.22 C ATOM 875 CD1 PHE A 79 -10.891 13.203 -15.955 1.00 52.42 C ATOM 876 CD2 PHE A 79 -11.143 11.410 -14.404 1.00 72.12 C ATOM 877 CE1 PHE A 79 -11.525 14.059 -15.074 1.00 3.41 C ATOM 878 CE2 PHE A 79 -11.778 12.261 -13.519 1.00 63.02 C ATOM 879 CZ PHE A 79 -11.968 13.588 -13.854 1.00 25.41 C ATOM 0 H PHE A 79 -11.285 8.619 -16.487 1.00 50.23 H new ATOM 0 HA PHE A 79 -11.591 11.123 -18.032 1.00 14.12 H new ATOM 0 HB2 PHE A 79 -9.532 10.138 -16.031 1.00 35.44 H new ATOM 0 HB3 PHE A 79 -9.210 11.488 -17.102 1.00 35.44 H new ATOM 0 HD1 PHE A 79 -10.545 13.577 -16.907 1.00 52.42 H new ATOM 0 HD2 PHE A 79 -10.995 10.374 -14.136 1.00 72.12 H new ATOM 0 HE1 PHE A 79 -11.674 15.095 -15.340 1.00 3.41 H new ATOM 0 HE2 PHE A 79 -12.125 11.889 -12.566 1.00 63.02 H new ATOM 0 HZ PHE A 79 -12.462 14.255 -13.163 1.00 25.41 H new ATOM 889 N ALA A 80 -9.386 10.613 -19.474 1.00 22.22 N ATOM 890 CA ALA A 80 -8.562 10.182 -20.597 1.00 13.12 C ATOM 891 C ALA A 80 -7.618 9.058 -20.186 1.00 22.25 C ATOM 892 O ALA A 80 -7.430 8.089 -20.922 1.00 72.14 O ATOM 893 CB ALA A 80 -7.775 11.358 -21.155 1.00 64.03 C ATOM 0 H ALA A 80 -9.334 11.611 -19.271 1.00 22.22 H new ATOM 0 HA ALA A 80 -9.223 9.799 -21.375 1.00 13.12 H new ATOM 0 HB1 ALA A 80 -7.164 11.022 -21.993 1.00 64.03 H new ATOM 0 HB2 ALA A 80 -8.466 12.129 -21.496 1.00 64.03 H new ATOM 0 HB3 ALA A 80 -7.130 11.767 -20.377 1.00 64.03 H new ATOM 899 N THR A 81 -7.024 9.193 -19.004 1.00 24.41 N ATOM 900 CA THR A 81 -6.097 8.189 -18.495 1.00 41.24 C ATOM 901 C THR A 81 -5.821 8.398 -17.011 1.00 32.42 C ATOM 902 O THR A 81 -6.208 9.415 -16.436 1.00 24.21 O ATOM 903 CB THR A 81 -4.762 8.218 -19.263 1.00 23.41 C ATOM 904 OG1 THR A 81 -4.830 9.170 -20.330 1.00 71.10 O ATOM 905 CG2 THR A 81 -4.431 6.843 -19.824 1.00 25.23 C ATOM 0 H THR A 81 -7.168 9.988 -18.381 1.00 24.41 H new ATOM 0 HA THR A 81 -6.571 7.218 -18.640 1.00 41.24 H new ATOM 0 HB THR A 81 -3.975 8.509 -18.567 1.00 23.41 H new ATOM 0 HG1 THR A 81 -3.977 9.183 -20.812 1.00 71.10 H new ATOM 0 HG21 THR A 81 -3.484 6.888 -20.362 1.00 25.23 H new ATOM 0 HG22 THR A 81 -4.350 6.126 -19.007 1.00 25.23 H new ATOM 0 HG23 THR A 81 -5.221 6.528 -20.506 1.00 25.23 H new ATOM 913 N GLN A 82 -5.151 7.428 -16.396 1.00 44.35 N ATOM 914 CA GLN A 82 -4.824 7.507 -14.978 1.00 5.03 C ATOM 915 C GLN A 82 -4.137 8.829 -14.650 1.00 25.42 C ATOM 916 O GLN A 82 -4.262 9.345 -13.540 1.00 52.11 O ATOM 917 CB GLN A 82 -3.924 6.337 -14.574 1.00 52.23 C ATOM 918 CG GLN A 82 -4.105 5.901 -13.130 1.00 32.35 C ATOM 919 CD GLN A 82 -2.847 6.081 -12.303 1.00 50.23 C ATOM 920 OE1 GLN A 82 -1.911 5.286 -12.395 1.00 0.51 O ATOM 921 NE2 GLN A 82 -2.818 7.131 -11.490 1.00 60.41 N ATOM 0 H GLN A 82 -4.825 6.579 -16.858 1.00 44.35 H new ATOM 0 HA GLN A 82 -5.755 7.452 -14.413 1.00 5.03 H new ATOM 0 HB2 GLN A 82 -4.128 5.490 -15.229 1.00 52.23 H new ATOM 0 HB3 GLN A 82 -2.883 6.619 -14.732 1.00 52.23 H new ATOM 0 HG2 GLN A 82 -4.916 6.474 -12.680 1.00 32.35 H new ATOM 0 HG3 GLN A 82 -4.404 4.853 -13.106 1.00 32.35 H new ATOM 0 HE21 GLN A 82 -3.617 7.764 -11.446 1.00 60.41 H new ATOM 0 HE22 GLN A 82 -1.997 7.304 -10.910 1.00 60.41 H new ATOM 930 N GLU A 83 -3.410 9.370 -15.623 1.00 31.31 N ATOM 931 CA GLU A 83 -2.702 10.631 -15.436 1.00 33.21 C ATOM 932 C GLU A 83 -3.669 11.745 -15.045 1.00 74.31 C ATOM 933 O GLU A 83 -3.442 12.467 -14.074 1.00 62.44 O ATOM 934 CB GLU A 83 -1.954 11.015 -16.714 1.00 3.42 C ATOM 935 CG GLU A 83 -0.545 10.451 -16.787 1.00 70.33 C ATOM 936 CD GLU A 83 0.107 10.682 -18.137 1.00 14.12 C ATOM 937 OE1 GLU A 83 -0.628 10.783 -19.141 1.00 40.34 O ATOM 938 OE2 GLU A 83 1.352 10.762 -18.188 1.00 11.33 O ATOM 0 H GLU A 83 -3.296 8.955 -16.548 1.00 31.31 H new ATOM 0 HA GLU A 83 -1.982 10.498 -14.628 1.00 33.21 H new ATOM 0 HB2 GLU A 83 -2.522 10.665 -17.576 1.00 3.42 H new ATOM 0 HB3 GLU A 83 -1.905 12.102 -16.784 1.00 3.42 H new ATOM 0 HG2 GLU A 83 0.066 10.909 -16.009 1.00 70.33 H new ATOM 0 HG3 GLU A 83 -0.575 9.381 -16.580 1.00 70.33 H new ATOM 945 N SER A 84 -4.749 11.878 -15.809 1.00 31.12 N ATOM 946 CA SER A 84 -5.749 12.906 -15.546 1.00 11.11 C ATOM 947 C SER A 84 -6.577 12.556 -14.313 1.00 74.15 C ATOM 948 O SER A 84 -6.820 13.403 -13.454 1.00 60.41 O ATOM 949 CB SER A 84 -6.666 13.078 -16.759 1.00 21.54 C ATOM 950 OG SER A 84 -6.424 14.312 -17.411 1.00 5.13 O ATOM 0 H SER A 84 -4.954 11.287 -16.615 1.00 31.12 H new ATOM 0 HA SER A 84 -5.228 13.845 -15.358 1.00 11.11 H new ATOM 0 HB2 SER A 84 -6.507 12.257 -17.458 1.00 21.54 H new ATOM 0 HB3 SER A 84 -7.707 13.029 -16.441 1.00 21.54 H new ATOM 0 HG SER A 84 -7.094 14.448 -18.113 1.00 5.13 H new ATOM 956 N ALA A 85 -7.009 11.301 -14.235 1.00 45.21 N ATOM 957 CA ALA A 85 -7.808 10.837 -13.108 1.00 3.11 C ATOM 958 C ALA A 85 -7.123 11.153 -11.782 1.00 61.35 C ATOM 959 O ALA A 85 -7.752 11.661 -10.855 1.00 2.21 O ATOM 960 CB ALA A 85 -8.070 9.343 -13.226 1.00 64.03 C ATOM 0 H ALA A 85 -6.819 10.588 -14.939 1.00 45.21 H new ATOM 0 HA ALA A 85 -8.762 11.365 -13.129 1.00 3.11 H new ATOM 0 HB1 ALA A 85 -8.668 9.010 -12.377 1.00 64.03 H new ATOM 0 HB2 ALA A 85 -8.609 9.140 -14.151 1.00 64.03 H new ATOM 0 HB3 ALA A 85 -7.121 8.807 -13.234 1.00 64.03 H new ATOM 966 N GLN A 86 -5.832 10.847 -11.701 1.00 50.02 N ATOM 967 CA GLN A 86 -5.063 11.097 -10.488 1.00 12.42 C ATOM 968 C GLN A 86 -5.070 12.581 -10.135 1.00 53.23 C ATOM 969 O GLN A 86 -5.265 12.953 -8.979 1.00 3.35 O ATOM 970 CB GLN A 86 -3.624 10.609 -10.661 1.00 0.02 C ATOM 971 CG GLN A 86 -2.701 11.020 -9.525 1.00 12.31 C ATOM 972 CD GLN A 86 -1.847 9.873 -9.023 1.00 3.33 C ATOM 973 OE1 GLN A 86 -1.376 9.046 -9.804 1.00 73.00 O ATOM 974 NE2 GLN A 86 -1.641 9.818 -7.712 1.00 61.30 N ATOM 0 H GLN A 86 -5.297 10.426 -12.461 1.00 50.02 H new ATOM 0 HA GLN A 86 -5.530 10.546 -9.672 1.00 12.42 H new ATOM 0 HB2 GLN A 86 -3.625 9.522 -10.742 1.00 0.02 H new ATOM 0 HB3 GLN A 86 -3.228 10.998 -11.599 1.00 0.02 H new ATOM 0 HG2 GLN A 86 -2.054 11.829 -9.863 1.00 12.31 H new ATOM 0 HG3 GLN A 86 -3.297 11.412 -8.701 1.00 12.31 H new ATOM 0 HE21 GLN A 86 -2.051 10.525 -7.101 1.00 61.30 H new ATOM 0 HE22 GLN A 86 -1.073 9.069 -7.316 1.00 61.30 H new ATOM 983 N ALA A 87 -4.857 13.424 -11.140 1.00 44.13 N ATOM 984 CA ALA A 87 -4.840 14.867 -10.937 1.00 10.34 C ATOM 985 C ALA A 87 -6.175 15.360 -10.388 1.00 71.34 C ATOM 986 O ALA A 87 -6.219 16.262 -9.552 1.00 54.32 O ATOM 987 CB ALA A 87 -4.507 15.580 -12.239 1.00 3.44 C ATOM 0 H ALA A 87 -4.694 13.132 -12.104 1.00 44.13 H new ATOM 0 HA ALA A 87 -4.068 15.096 -10.203 1.00 10.34 H new ATOM 0 HB1 ALA A 87 -4.498 16.657 -12.072 1.00 3.44 H new ATOM 0 HB2 ALA A 87 -3.526 15.259 -12.589 1.00 3.44 H new ATOM 0 HB3 ALA A 87 -5.258 15.336 -12.990 1.00 3.44 H new ATOM 993 N PHE A 88 -7.262 14.762 -10.865 1.00 61.41 N ATOM 994 CA PHE A 88 -8.599 15.141 -10.424 1.00 30.14 C ATOM 995 C PHE A 88 -8.875 14.621 -9.016 1.00 4.54 C ATOM 996 O PHE A 88 -9.542 15.281 -8.218 1.00 62.40 O ATOM 997 CB PHE A 88 -9.652 14.601 -11.394 1.00 23.22 C ATOM 998 CG PHE A 88 -11.056 14.701 -10.871 1.00 32.32 C ATOM 999 CD1 PHE A 88 -11.587 13.697 -10.077 1.00 21.31 C ATOM 1000 CD2 PHE A 88 -11.845 15.799 -11.173 1.00 35.34 C ATOM 1001 CE1 PHE A 88 -12.879 13.786 -9.595 1.00 72.12 C ATOM 1002 CE2 PHE A 88 -13.138 15.894 -10.693 1.00 75.43 C ATOM 1003 CZ PHE A 88 -13.656 14.886 -9.903 1.00 5.33 C ATOM 0 H PHE A 88 -7.243 14.013 -11.557 1.00 61.41 H new ATOM 0 HA PHE A 88 -8.654 16.230 -10.408 1.00 30.14 H new ATOM 0 HB2 PHE A 88 -9.583 15.148 -12.334 1.00 23.22 H new ATOM 0 HB3 PHE A 88 -9.429 13.557 -11.616 1.00 23.22 H new ATOM 0 HD1 PHE A 88 -10.984 12.835 -9.832 1.00 21.31 H new ATOM 0 HD2 PHE A 88 -11.445 16.590 -11.790 1.00 35.34 H new ATOM 0 HE1 PHE A 88 -13.281 12.996 -8.978 1.00 72.12 H new ATOM 0 HE2 PHE A 88 -13.743 16.755 -10.935 1.00 75.43 H new ATOM 0 HZ PHE A 88 -14.666 14.958 -9.527 1.00 5.33 H new ATOM 1013 N VAL A 89 -8.356 13.434 -8.717 1.00 54.32 N ATOM 1014 CA VAL A 89 -8.545 12.825 -7.406 1.00 13.40 C ATOM 1015 C VAL A 89 -7.820 13.616 -6.323 1.00 53.40 C ATOM 1016 O VAL A 89 -8.339 13.799 -5.222 1.00 52.44 O ATOM 1017 CB VAL A 89 -8.043 11.369 -7.386 1.00 15.33 C ATOM 1018 CG1 VAL A 89 -8.176 10.778 -5.991 1.00 2.15 C ATOM 1019 CG2 VAL A 89 -8.802 10.531 -8.403 1.00 61.43 C ATOM 0 H VAL A 89 -7.801 12.875 -9.365 1.00 54.32 H new ATOM 0 HA VAL A 89 -9.616 12.835 -7.204 1.00 13.40 H new ATOM 0 HB VAL A 89 -6.988 11.362 -7.658 1.00 15.33 H new ATOM 0 HG11 VAL A 89 -7.817 9.749 -5.996 1.00 2.15 H new ATOM 0 HG12 VAL A 89 -7.584 11.366 -5.289 1.00 2.15 H new ATOM 0 HG13 VAL A 89 -9.223 10.795 -5.687 1.00 2.15 H new ATOM 0 HG21 VAL A 89 -8.435 9.505 -8.376 1.00 61.43 H new ATOM 0 HG22 VAL A 89 -9.865 10.542 -8.163 1.00 61.43 H new ATOM 0 HG23 VAL A 89 -8.651 10.944 -9.400 1.00 61.43 H new ATOM 1029 N GLU A 90 -6.618 14.084 -6.644 1.00 23.51 N ATOM 1030 CA GLU A 90 -5.821 14.855 -5.697 1.00 52.21 C ATOM 1031 C GLU A 90 -6.274 16.312 -5.665 1.00 53.14 C ATOM 1032 O GLU A 90 -6.101 17.005 -4.663 1.00 54.24 O ATOM 1033 CB GLU A 90 -4.338 14.779 -6.064 1.00 24.14 C ATOM 1034 CG GLU A 90 -3.938 15.723 -7.186 1.00 34.45 C ATOM 1035 CD GLU A 90 -3.396 17.042 -6.673 1.00 1.45 C ATOM 1036 OE1 GLU A 90 -2.496 17.018 -5.807 1.00 13.51 O ATOM 1037 OE2 GLU A 90 -3.871 18.100 -7.138 1.00 34.54 O ATOM 0 H GLU A 90 -6.175 13.943 -7.552 1.00 23.51 H new ATOM 0 HA GLU A 90 -5.965 14.425 -4.706 1.00 52.21 H new ATOM 0 HB2 GLU A 90 -3.742 15.006 -5.180 1.00 24.14 H new ATOM 0 HB3 GLU A 90 -4.097 13.757 -6.357 1.00 24.14 H new ATOM 0 HG2 GLU A 90 -3.184 15.242 -7.809 1.00 34.45 H new ATOM 0 HG3 GLU A 90 -4.803 15.913 -7.822 1.00 34.45 H new ATOM 1044 N ALA A 91 -6.854 16.769 -6.770 1.00 55.32 N ATOM 1045 CA ALA A 91 -7.334 18.142 -6.869 1.00 43.32 C ATOM 1046 C ALA A 91 -8.645 18.322 -6.111 1.00 45.21 C ATOM 1047 O ALA A 91 -8.995 19.433 -5.712 1.00 71.02 O ATOM 1048 CB ALA A 91 -7.507 18.537 -8.328 1.00 73.34 C ATOM 0 H ALA A 91 -7.003 16.209 -7.609 1.00 55.32 H new ATOM 0 HA ALA A 91 -6.589 18.794 -6.413 1.00 43.32 H new ATOM 0 HB1 ALA A 91 -7.866 19.565 -8.387 1.00 73.34 H new ATOM 0 HB2 ALA A 91 -6.549 18.457 -8.843 1.00 73.34 H new ATOM 0 HB3 ALA A 91 -8.230 17.873 -8.802 1.00 73.34 H new ATOM 1054 N PHE A 92 -9.366 17.223 -5.916 1.00 45.10 N ATOM 1055 CA PHE A 92 -10.639 17.260 -5.207 1.00 12.21 C ATOM 1056 C PHE A 92 -10.581 16.412 -3.940 1.00 0.24 C ATOM 1057 O PHE A 92 -11.561 16.312 -3.202 1.00 53.44 O ATOM 1058 CB PHE A 92 -11.767 16.764 -6.114 1.00 40.53 C ATOM 1059 CG PHE A 92 -12.162 17.753 -7.174 1.00 60.11 C ATOM 1060 CD1 PHE A 92 -11.269 18.116 -8.169 1.00 5.01 C ATOM 1061 CD2 PHE A 92 -13.427 18.318 -7.176 1.00 2.43 C ATOM 1062 CE1 PHE A 92 -11.629 19.026 -9.145 1.00 33.14 C ATOM 1063 CE2 PHE A 92 -13.793 19.229 -8.149 1.00 75.42 C ATOM 1064 CZ PHE A 92 -12.894 19.582 -9.136 1.00 23.14 C ATOM 0 H PHE A 92 -9.090 16.296 -6.239 1.00 45.10 H new ATOM 0 HA PHE A 92 -10.838 18.293 -4.923 1.00 12.21 H new ATOM 0 HB2 PHE A 92 -11.456 15.835 -6.592 1.00 40.53 H new ATOM 0 HB3 PHE A 92 -12.639 16.531 -5.502 1.00 40.53 H new ATOM 0 HD1 PHE A 92 -10.280 17.683 -8.182 1.00 5.01 H new ATOM 0 HD2 PHE A 92 -14.135 18.043 -6.408 1.00 2.43 H new ATOM 0 HE1 PHE A 92 -10.922 19.302 -9.914 1.00 33.14 H new ATOM 0 HE2 PHE A 92 -14.781 19.664 -8.137 1.00 75.42 H new ATOM 0 HZ PHE A 92 -13.179 20.291 -9.899 1.00 23.14 H new ATOM 1074 N GLN A 93 -9.425 15.803 -3.695 1.00 11.53 N ATOM 1075 CA GLN A 93 -9.239 14.963 -2.518 1.00 13.02 C ATOM 1076 C GLN A 93 -9.745 15.665 -1.262 1.00 12.30 C ATOM 1077 O GLN A 93 -10.227 15.022 -0.331 1.00 12.35 O ATOM 1078 CB GLN A 93 -7.763 14.599 -2.353 1.00 62.11 C ATOM 1079 CG GLN A 93 -7.421 14.053 -0.976 1.00 63.22 C ATOM 1080 CD GLN A 93 -5.968 13.637 -0.858 1.00 22.13 C ATOM 1081 OE1 GLN A 93 -5.440 12.930 -1.717 1.00 34.32 O ATOM 1082 NE2 GLN A 93 -5.312 14.075 0.210 1.00 5.03 N ATOM 0 H GLN A 93 -8.604 15.876 -4.296 1.00 11.53 H new ATOM 0 HA GLN A 93 -9.817 14.050 -2.660 1.00 13.02 H new ATOM 0 HB2 GLN A 93 -7.494 13.858 -3.106 1.00 62.11 H new ATOM 0 HB3 GLN A 93 -7.156 15.483 -2.545 1.00 62.11 H new ATOM 0 HG2 GLN A 93 -7.640 14.811 -0.224 1.00 63.22 H new ATOM 0 HG3 GLN A 93 -8.059 13.196 -0.760 1.00 63.22 H new ATOM 0 HE21 GLN A 93 -5.789 14.659 0.897 1.00 5.03 H new ATOM 0 HE22 GLN A 93 -4.331 13.828 0.343 1.00 5.03 H new ATOM 1091 N GLY A 94 -9.631 16.990 -1.244 1.00 33.01 N ATOM 1092 CA GLY A 94 -10.081 17.758 -0.097 1.00 61.43 C ATOM 1093 C GLY A 94 -10.811 19.024 -0.498 1.00 3.43 C ATOM 1094 O GLY A 94 -10.464 20.117 -0.049 1.00 44.23 O ATOM 0 H GLY A 94 -9.235 17.545 -2.003 1.00 33.01 H new ATOM 0 HA2 GLY A 94 -10.739 17.141 0.514 1.00 61.43 H new ATOM 0 HA3 GLY A 94 -9.222 18.018 0.522 1.00 61.43 H new ATOM 1098 N TYR A 95 -11.823 18.879 -1.345 1.00 73.00 N ATOM 1099 CA TYR A 95 -12.601 20.021 -1.809 1.00 54.43 C ATOM 1100 C TYR A 95 -14.075 19.860 -1.448 1.00 62.01 C ATOM 1101 O TYR A 95 -14.673 18.800 -1.632 1.00 32.22 O ATOM 1102 CB TYR A 95 -12.451 20.186 -3.323 1.00 1.44 C ATOM 1103 CG TYR A 95 -13.381 21.222 -3.914 1.00 63.32 C ATOM 1104 CD1 TYR A 95 -14.672 20.884 -4.300 1.00 13.22 C ATOM 1105 CD2 TYR A 95 -12.968 22.537 -4.088 1.00 64.44 C ATOM 1106 CE1 TYR A 95 -15.525 21.826 -4.841 1.00 52.54 C ATOM 1107 CE2 TYR A 95 -13.814 23.486 -4.628 1.00 30.22 C ATOM 1108 CZ TYR A 95 -15.092 23.126 -5.003 1.00 24.11 C ATOM 1109 OH TYR A 95 -15.937 24.068 -5.542 1.00 14.11 O ATOM 0 H TYR A 95 -12.124 17.981 -1.725 1.00 73.00 H new ATOM 0 HA TYR A 95 -12.219 20.913 -1.313 1.00 54.43 H new ATOM 0 HB2 TYR A 95 -11.421 20.463 -3.550 1.00 1.44 H new ATOM 0 HB3 TYR A 95 -12.637 19.226 -3.805 1.00 1.44 H new ATOM 0 HD1 TYR A 95 -15.014 19.867 -4.175 1.00 13.22 H new ATOM 0 HD2 TYR A 95 -11.968 22.822 -3.796 1.00 64.44 H new ATOM 0 HE1 TYR A 95 -16.526 21.546 -5.136 1.00 52.54 H new ATOM 0 HE2 TYR A 95 -13.477 24.504 -4.756 1.00 30.22 H new ATOM 0 HH TYR A 95 -15.478 24.933 -5.586 1.00 14.11 H new ATOM 1119 N PRO A 96 -14.675 20.938 -0.922 1.00 33.33 N ATOM 1120 CA PRO A 96 -16.086 20.943 -0.524 1.00 72.32 C ATOM 1121 C PRO A 96 -17.026 20.883 -1.723 1.00 75.02 C ATOM 1122 O PRO A 96 -17.158 21.853 -2.470 1.00 71.44 O ATOM 1123 CB PRO A 96 -16.243 22.275 0.212 1.00 4.52 C ATOM 1124 CG PRO A 96 -15.174 23.147 -0.351 1.00 3.01 C ATOM 1125 CD PRO A 96 -14.023 22.235 -0.675 1.00 31.45 C ATOM 0 HA PRO A 96 -16.342 20.074 0.082 1.00 72.32 H new ATOM 0 HB2 PRO A 96 -17.231 22.704 0.048 1.00 4.52 H new ATOM 0 HB3 PRO A 96 -16.125 22.149 1.288 1.00 4.52 H new ATOM 0 HG2 PRO A 96 -15.524 23.666 -1.243 1.00 3.01 H new ATOM 0 HG3 PRO A 96 -14.876 23.912 0.366 1.00 3.01 H new ATOM 0 HD2 PRO A 96 -13.471 22.580 -1.549 1.00 31.45 H new ATOM 0 HD3 PRO A 96 -13.312 22.177 0.149 1.00 31.45 H new ATOM 1133 N PHE A 97 -17.679 19.739 -1.901 1.00 40.12 N ATOM 1134 CA PHE A 97 -18.607 19.553 -3.010 1.00 52.04 C ATOM 1135 C PHE A 97 -19.813 18.725 -2.577 1.00 73.32 C ATOM 1136 O PHE A 97 -19.690 17.809 -1.764 1.00 41.21 O ATOM 1137 CB PHE A 97 -17.902 18.872 -4.185 1.00 23.22 C ATOM 1138 CG PHE A 97 -18.797 18.636 -5.367 1.00 55.43 C ATOM 1139 CD1 PHE A 97 -19.413 19.699 -6.010 1.00 25.04 C ATOM 1140 CD2 PHE A 97 -19.024 17.353 -5.837 1.00 20.31 C ATOM 1141 CE1 PHE A 97 -20.238 19.485 -7.097 1.00 62.13 C ATOM 1142 CE2 PHE A 97 -19.848 17.133 -6.925 1.00 30.54 C ATOM 1143 CZ PHE A 97 -20.455 18.200 -7.556 1.00 41.32 C ATOM 0 H PHE A 97 -17.582 18.927 -1.291 1.00 40.12 H new ATOM 0 HA PHE A 97 -18.957 20.536 -3.326 1.00 52.04 H new ATOM 0 HB2 PHE A 97 -17.057 19.486 -4.496 1.00 23.22 H new ATOM 0 HB3 PHE A 97 -17.496 17.917 -3.851 1.00 23.22 H new ATOM 0 HD1 PHE A 97 -19.246 20.706 -5.657 1.00 25.04 H new ATOM 0 HD2 PHE A 97 -18.551 16.514 -5.348 1.00 20.31 H new ATOM 0 HE1 PHE A 97 -20.713 20.322 -7.588 1.00 62.13 H new ATOM 0 HE2 PHE A 97 -20.017 16.127 -7.281 1.00 30.54 H new ATOM 0 HZ PHE A 97 -21.098 18.031 -8.407 1.00 41.32 H new ATOM 1153 N GLN A 98 -20.978 19.054 -3.126 1.00 41.32 N ATOM 1154 CA GLN A 98 -22.207 18.342 -2.796 1.00 25.03 C ATOM 1155 C GLN A 98 -22.401 18.265 -1.285 1.00 73.40 C ATOM 1156 O GLN A 98 -22.988 17.313 -0.773 1.00 33.53 O ATOM 1157 CB GLN A 98 -22.180 16.933 -3.391 1.00 52.33 C ATOM 1158 CG GLN A 98 -22.468 16.898 -4.884 1.00 3.34 C ATOM 1159 CD GLN A 98 -23.950 16.962 -5.194 1.00 51.31 C ATOM 1160 OE1 GLN A 98 -24.787 16.618 -4.359 1.00 24.05 O ATOM 1161 NE2 GLN A 98 -24.284 17.405 -6.401 1.00 20.23 N ATOM 0 H GLN A 98 -21.097 19.809 -3.801 1.00 41.32 H new ATOM 0 HA GLN A 98 -23.044 18.894 -3.224 1.00 25.03 H new ATOM 0 HB2 GLN A 98 -21.202 16.489 -3.207 1.00 52.33 H new ATOM 0 HB3 GLN A 98 -22.913 16.315 -2.873 1.00 52.33 H new ATOM 0 HG2 GLN A 98 -21.963 17.735 -5.367 1.00 3.34 H new ATOM 0 HG3 GLN A 98 -22.051 15.985 -5.309 1.00 3.34 H new ATOM 0 HE21 GLN A 98 -23.558 17.680 -7.062 1.00 20.23 H new ATOM 0 HE22 GLN A 98 -25.267 17.470 -6.666 1.00 20.23 H new ATOM 1170 N GLY A 99 -21.904 19.274 -0.576 1.00 62.24 N ATOM 1171 CA GLY A 99 -22.033 19.300 0.869 1.00 41.12 C ATOM 1172 C GLY A 99 -20.749 19.718 1.558 1.00 31.41 C ATOM 1173 O GLY A 99 -20.655 20.821 2.093 1.00 2.32 O ATOM 0 H GLY A 99 -21.414 20.074 -0.977 1.00 62.24 H new ATOM 0 HA2 GLY A 99 -22.832 19.988 1.147 1.00 41.12 H new ATOM 0 HA3 GLY A 99 -22.326 18.311 1.222 1.00 41.12 H new ATOM 1177 N ASN A 100 -19.758 18.832 1.547 1.00 51.03 N ATOM 1178 CA ASN A 100 -18.474 19.114 2.178 1.00 61.12 C ATOM 1179 C ASN A 100 -17.527 17.925 2.040 1.00 53.44 C ATOM 1180 O ASN A 100 -16.454 18.021 1.444 1.00 72.44 O ATOM 1181 CB ASN A 100 -18.672 19.453 3.657 1.00 73.05 C ATOM 1182 CG ASN A 100 -18.541 20.938 3.932 1.00 45.42 C ATOM 1183 OD1 ASN A 100 -17.695 21.617 3.348 1.00 75.24 O ATOM 1184 ND2 ASN A 100 -19.378 21.451 4.826 1.00 72.12 N ATOM 0 H ASN A 100 -19.820 17.913 1.108 1.00 51.03 H new ATOM 0 HA ASN A 100 -18.029 19.971 1.672 1.00 61.12 H new ATOM 0 HB2 ASN A 100 -19.657 19.113 3.976 1.00 73.05 H new ATOM 0 HB3 ASN A 100 -17.939 18.910 4.253 1.00 73.05 H new ATOM 0 HD21 ASN A 100 -19.336 22.445 5.053 1.00 72.12 H new ATOM 0 HD22 ASN A 100 -20.063 20.852 5.286 1.00 72.12 H new ATOM 1191 N PRO A 101 -17.933 16.777 2.603 1.00 42.53 N ATOM 1192 CA PRO A 101 -17.136 15.548 2.555 1.00 74.31 C ATOM 1193 C PRO A 101 -17.074 14.952 1.153 1.00 63.23 C ATOM 1194 O PRO A 101 -18.018 14.304 0.699 1.00 15.33 O ATOM 1195 CB PRO A 101 -17.882 14.605 3.504 1.00 45.45 C ATOM 1196 CG PRO A 101 -19.287 15.100 3.503 1.00 44.52 C ATOM 1197 CD PRO A 101 -19.200 16.592 3.329 1.00 72.41 C ATOM 0 HA PRO A 101 -16.097 15.724 2.835 1.00 74.31 H new ATOM 0 HB2 PRO A 101 -17.826 13.572 3.161 1.00 45.45 H new ATOM 0 HB3 PRO A 101 -17.454 14.631 4.506 1.00 45.45 H new ATOM 0 HG2 PRO A 101 -19.860 14.646 2.695 1.00 44.52 H new ATOM 0 HG3 PRO A 101 -19.792 14.844 4.435 1.00 44.52 H new ATOM 0 HD2 PRO A 101 -20.047 16.981 2.764 1.00 72.41 H new ATOM 0 HD3 PRO A 101 -19.192 17.109 4.289 1.00 72.41 H new ATOM 1205 N LEU A 102 -15.956 15.174 0.470 1.00 21.41 N ATOM 1206 CA LEU A 102 -15.770 14.658 -0.882 1.00 23.33 C ATOM 1207 C LEU A 102 -14.730 13.542 -0.900 1.00 43.02 C ATOM 1208 O LEU A 102 -13.627 13.698 -0.376 1.00 2.30 O ATOM 1209 CB LEU A 102 -15.343 15.784 -1.824 1.00 42.14 C ATOM 1210 CG LEU A 102 -15.990 15.781 -3.210 1.00 1.42 C ATOM 1211 CD1 LEU A 102 -15.250 16.723 -4.147 1.00 4.24 C ATOM 1212 CD2 LEU A 102 -16.020 14.372 -3.782 1.00 24.42 C ATOM 0 H LEU A 102 -15.165 15.708 0.830 1.00 21.41 H new ATOM 0 HA LEU A 102 -16.721 14.249 -1.223 1.00 23.33 H new ATOM 0 HB2 LEU A 102 -15.565 16.737 -1.343 1.00 42.14 H new ATOM 0 HB3 LEU A 102 -14.261 15.735 -1.950 1.00 42.14 H new ATOM 0 HG LEU A 102 -17.017 16.133 -3.111 1.00 1.42 H new ATOM 0 HD11 LEU A 102 -15.725 16.707 -5.128 1.00 4.24 H new ATOM 0 HD12 LEU A 102 -15.282 17.736 -3.745 1.00 4.24 H new ATOM 0 HD13 LEU A 102 -14.213 16.402 -4.241 1.00 4.24 H new ATOM 0 HD21 LEU A 102 -16.484 14.390 -4.768 1.00 24.42 H new ATOM 0 HD22 LEU A 102 -15.002 13.992 -3.866 1.00 24.42 H new ATOM 0 HD23 LEU A 102 -16.596 13.723 -3.122 1.00 24.42 H new ATOM 1224 N VAL A 103 -15.088 12.416 -1.509 1.00 42.15 N ATOM 1225 CA VAL A 103 -14.185 11.275 -1.600 1.00 4.13 C ATOM 1226 C VAL A 103 -13.922 10.896 -3.053 1.00 30.32 C ATOM 1227 O VAL A 103 -14.853 10.624 -3.812 1.00 21.44 O ATOM 1228 CB VAL A 103 -14.750 10.051 -0.855 1.00 54.22 C ATOM 1229 CG1 VAL A 103 -16.123 9.684 -1.397 1.00 55.12 C ATOM 1230 CG2 VAL A 103 -13.793 8.874 -0.963 1.00 35.44 C ATOM 0 H VAL A 103 -15.998 12.270 -1.947 1.00 42.15 H new ATOM 0 HA VAL A 103 -13.248 11.575 -1.131 1.00 4.13 H new ATOM 0 HB VAL A 103 -14.858 10.306 0.199 1.00 54.22 H new ATOM 0 HG11 VAL A 103 -16.507 8.817 -0.859 1.00 55.12 H new ATOM 0 HG12 VAL A 103 -16.804 10.525 -1.263 1.00 55.12 H new ATOM 0 HG13 VAL A 103 -16.044 9.447 -2.458 1.00 55.12 H new ATOM 0 HG21 VAL A 103 -14.208 8.018 -0.431 1.00 35.44 H new ATOM 0 HG22 VAL A 103 -13.651 8.615 -2.012 1.00 35.44 H new ATOM 0 HG23 VAL A 103 -12.833 9.144 -0.523 1.00 35.44 H new ATOM 1240 N ILE A 104 -12.649 10.879 -3.433 1.00 51.23 N ATOM 1241 CA ILE A 104 -12.264 10.531 -4.795 1.00 50.34 C ATOM 1242 C ILE A 104 -11.146 9.494 -4.803 1.00 2.52 C ATOM 1243 O ILE A 104 -10.114 9.672 -4.154 1.00 51.22 O ATOM 1244 CB ILE A 104 -11.804 11.771 -5.585 1.00 12.44 C ATOM 1245 CG1 ILE A 104 -11.314 12.860 -4.627 1.00 33.51 C ATOM 1246 CG2 ILE A 104 -12.937 12.295 -6.455 1.00 44.02 C ATOM 1247 CD1 ILE A 104 -12.425 13.732 -4.085 1.00 22.35 C ATOM 0 H ILE A 104 -11.867 11.102 -2.817 1.00 51.23 H new ATOM 0 HA ILE A 104 -13.148 10.112 -5.275 1.00 50.34 H new ATOM 0 HB ILE A 104 -10.976 11.484 -6.234 1.00 12.44 H new ATOM 0 HG12 ILE A 104 -10.792 12.391 -3.793 1.00 33.51 H new ATOM 0 HG13 ILE A 104 -10.589 13.489 -5.144 1.00 33.51 H new ATOM 0 HG21 ILE A 104 -12.597 13.171 -7.007 1.00 44.02 H new ATOM 0 HG22 ILE A 104 -13.244 11.520 -7.158 1.00 44.02 H new ATOM 0 HG23 ILE A 104 -13.783 12.569 -5.825 1.00 44.02 H new ATOM 0 HD11 ILE A 104 -12.005 14.481 -3.414 1.00 22.35 H new ATOM 0 HD12 ILE A 104 -12.933 14.229 -4.911 1.00 22.35 H new ATOM 0 HD13 ILE A 104 -13.139 13.115 -3.539 1.00 22.35 H new ATOM 1259 N THR A 105 -11.356 8.410 -5.543 1.00 13.22 N ATOM 1260 CA THR A 105 -10.367 7.345 -5.636 1.00 25.50 C ATOM 1261 C THR A 105 -10.362 6.719 -7.026 1.00 23.41 C ATOM 1262 O THR A 105 -11.224 7.013 -7.853 1.00 55.24 O ATOM 1263 CB THR A 105 -10.626 6.244 -4.590 1.00 73.44 C ATOM 1264 OG1 THR A 105 -11.998 5.835 -4.640 1.00 1.14 O ATOM 1265 CG2 THR A 105 -10.288 6.736 -3.191 1.00 72.52 C ATOM 0 H THR A 105 -12.203 8.247 -6.087 1.00 13.22 H new ATOM 0 HA THR A 105 -9.395 7.799 -5.441 1.00 25.50 H new ATOM 0 HB THR A 105 -9.985 5.394 -4.823 1.00 73.44 H new ATOM 0 HG1 THR A 105 -12.155 5.134 -3.973 1.00 1.14 H new ATOM 0 HG21 THR A 105 -10.479 5.941 -2.470 1.00 72.52 H new ATOM 0 HG22 THR A 105 -9.236 7.019 -3.149 1.00 72.52 H new ATOM 0 HG23 THR A 105 -10.906 7.601 -2.950 1.00 72.52 H new ATOM 1273 N PHE A 106 -9.385 5.853 -7.276 1.00 72.25 N ATOM 1274 CA PHE A 106 -9.268 5.185 -8.567 1.00 72.15 C ATOM 1275 C PHE A 106 -10.134 3.929 -8.611 1.00 11.24 C ATOM 1276 O PHE A 106 -10.907 3.663 -7.690 1.00 64.00 O ATOM 1277 CB PHE A 106 -7.808 4.821 -8.847 1.00 55.41 C ATOM 1278 CG PHE A 106 -6.876 5.998 -8.791 1.00 74.10 C ATOM 1279 CD1 PHE A 106 -6.690 6.805 -9.902 1.00 72.41 C ATOM 1280 CD2 PHE A 106 -6.187 6.297 -7.627 1.00 41.42 C ATOM 1281 CE1 PHE A 106 -5.833 7.887 -9.853 1.00 45.22 C ATOM 1282 CE2 PHE A 106 -5.328 7.379 -7.572 1.00 51.12 C ATOM 1283 CZ PHE A 106 -5.152 8.176 -8.687 1.00 24.44 C ATOM 0 H PHE A 106 -8.663 5.598 -6.602 1.00 72.25 H new ATOM 0 HA PHE A 106 -9.618 5.873 -9.336 1.00 72.15 H new ATOM 0 HB2 PHE A 106 -7.482 4.075 -8.122 1.00 55.41 H new ATOM 0 HB3 PHE A 106 -7.739 4.360 -9.832 1.00 55.41 H new ATOM 0 HD1 PHE A 106 -7.221 6.585 -10.816 1.00 72.41 H new ATOM 0 HD2 PHE A 106 -6.322 5.678 -6.753 1.00 41.42 H new ATOM 0 HE1 PHE A 106 -5.695 8.507 -10.727 1.00 45.22 H new ATOM 0 HE2 PHE A 106 -4.795 7.601 -6.659 1.00 51.12 H new ATOM 0 HZ PHE A 106 -4.483 9.023 -8.647 1.00 24.44 H new ATOM 1293 N SER A 107 -9.999 3.161 -9.687 1.00 52.32 N ATOM 1294 CA SER A 107 -10.772 1.936 -9.854 1.00 23.24 C ATOM 1295 C SER A 107 -10.088 0.992 -10.838 1.00 42.12 C ATOM 1296 O SER A 107 -8.969 1.247 -11.283 1.00 32.12 O ATOM 1297 CB SER A 107 -12.185 2.261 -10.340 1.00 14.13 C ATOM 1298 OG SER A 107 -13.161 1.765 -9.440 1.00 21.42 O ATOM 0 H SER A 107 -9.361 3.365 -10.456 1.00 52.32 H new ATOM 0 HA SER A 107 -10.834 1.440 -8.885 1.00 23.24 H new ATOM 0 HB2 SER A 107 -12.298 3.340 -10.445 1.00 14.13 H new ATOM 0 HB3 SER A 107 -12.342 1.827 -11.327 1.00 14.13 H new ATOM 0 HG SER A 107 -14.056 1.987 -9.773 1.00 21.42 H new ATOM 1304 N GLU A 108 -10.770 -0.099 -11.173 1.00 44.24 N ATOM 1305 CA GLU A 108 -10.228 -1.081 -12.105 1.00 25.55 C ATOM 1306 C GLU A 108 -10.992 -1.059 -13.425 1.00 43.02 C ATOM 1307 O GLU A 108 -12.182 -0.745 -13.462 1.00 41.55 O ATOM 1308 CB GLU A 108 -10.286 -2.483 -11.493 1.00 3.22 C ATOM 1309 CG GLU A 108 -11.700 -2.989 -11.265 1.00 70.31 C ATOM 1310 CD GLU A 108 -11.732 -4.394 -10.694 1.00 41.15 C ATOM 1311 OE1 GLU A 108 -10.838 -5.195 -11.038 1.00 40.03 O ATOM 1312 OE2 GLU A 108 -12.651 -4.691 -9.903 1.00 74.44 O ATOM 0 H GLU A 108 -11.697 -0.325 -10.813 1.00 44.24 H new ATOM 0 HA GLU A 108 -9.188 -0.821 -12.303 1.00 25.55 H new ATOM 0 HB2 GLU A 108 -9.761 -3.178 -12.148 1.00 3.22 H new ATOM 0 HB3 GLU A 108 -9.753 -2.478 -10.542 1.00 3.22 H new ATOM 0 HG2 GLU A 108 -12.219 -2.313 -10.585 1.00 70.31 H new ATOM 0 HG3 GLU A 108 -12.245 -2.972 -12.209 1.00 70.31 H new ATOM 1319 N THR A 109 -10.299 -1.394 -14.509 1.00 63.40 N ATOM 1320 CA THR A 109 -10.910 -1.411 -15.832 1.00 62.30 C ATOM 1321 C THR A 109 -10.632 -2.727 -16.549 1.00 65.34 C ATOM 1322 O THR A 109 -9.867 -2.788 -17.512 1.00 45.42 O ATOM 1323 CB THR A 109 -10.399 -0.247 -16.702 1.00 24.51 C ATOM 1324 OG1 THR A 109 -8.989 -0.379 -16.918 1.00 32.53 O ATOM 1325 CG2 THR A 109 -10.692 1.091 -16.042 1.00 15.22 C ATOM 0 H THR A 109 -9.314 -1.657 -14.496 1.00 63.40 H new ATOM 0 HA THR A 109 -11.984 -1.300 -15.685 1.00 62.30 H new ATOM 0 HB THR A 109 -10.918 -0.283 -17.660 1.00 24.51 H new ATOM 0 HG1 THR A 109 -8.803 -1.242 -17.344 1.00 32.53 H new ATOM 0 HG21 THR A 109 -10.322 1.898 -16.675 1.00 15.22 H new ATOM 0 HG22 THR A 109 -11.768 1.201 -15.905 1.00 15.22 H new ATOM 0 HG23 THR A 109 -10.197 1.134 -15.072 1.00 15.22 H new ATOM 1333 N PRO A 110 -11.266 -3.808 -16.072 1.00 75.12 N ATOM 1334 CA PRO A 110 -11.104 -5.143 -16.655 1.00 24.43 C ATOM 1335 C PRO A 110 -11.743 -5.256 -18.034 1.00 41.14 C ATOM 1336 O PRO A 110 -12.394 -4.323 -18.504 1.00 62.01 O ATOM 1337 CB PRO A 110 -11.821 -6.056 -15.657 1.00 13.32 C ATOM 1338 CG PRO A 110 -12.820 -5.175 -14.989 1.00 11.11 C ATOM 1339 CD PRO A 110 -12.193 -3.810 -14.927 1.00 41.35 C ATOM 0 HA PRO A 110 -10.055 -5.396 -16.807 1.00 24.43 H new ATOM 0 HB2 PRO A 110 -12.305 -6.892 -16.162 1.00 13.32 H new ATOM 0 HB3 PRO A 110 -11.122 -6.481 -14.936 1.00 13.32 H new ATOM 0 HG2 PRO A 110 -13.755 -5.150 -15.549 1.00 11.11 H new ATOM 0 HG3 PRO A 110 -13.057 -5.541 -13.990 1.00 11.11 H new ATOM 0 HD2 PRO A 110 -12.940 -3.021 -15.013 1.00 41.35 H new ATOM 0 HD3 PRO A 110 -11.668 -3.651 -13.985 1.00 41.35 H new ATOM 1347 N GLN A 111 -11.553 -6.403 -18.678 1.00 30.32 N ATOM 1348 CA GLN A 111 -12.112 -6.636 -20.004 1.00 62.33 C ATOM 1349 C GLN A 111 -12.963 -7.902 -20.022 1.00 0.41 C ATOM 1350 O GLN A 111 -13.109 -8.549 -21.059 1.00 23.24 O ATOM 1351 CB GLN A 111 -10.992 -6.746 -21.040 1.00 61.34 C ATOM 1352 CG GLN A 111 -9.922 -7.762 -20.674 1.00 60.33 C ATOM 1353 CD GLN A 111 -8.866 -7.912 -21.752 1.00 34.30 C ATOM 1354 OE1 GLN A 111 -9.109 -8.521 -22.795 1.00 12.24 O ATOM 1355 NE2 GLN A 111 -7.686 -7.357 -21.506 1.00 3.40 N ATOM 0 H GLN A 111 -11.016 -7.185 -18.303 1.00 30.32 H new ATOM 0 HA GLN A 111 -12.749 -5.788 -20.256 1.00 62.33 H new ATOM 0 HB2 GLN A 111 -11.425 -7.017 -22.003 1.00 61.34 H new ATOM 0 HB3 GLN A 111 -10.526 -5.769 -21.164 1.00 61.34 H new ATOM 0 HG2 GLN A 111 -9.444 -7.461 -19.742 1.00 60.33 H new ATOM 0 HG3 GLN A 111 -10.391 -8.729 -20.493 1.00 60.33 H new ATOM 0 HE21 GLN A 111 -7.528 -6.862 -20.628 1.00 3.40 H new ATOM 0 HE22 GLN A 111 -6.937 -7.426 -22.195 1.00 3.40 H new ATOM 1364 N SER A 112 -13.523 -8.248 -18.867 1.00 61.43 N ATOM 1365 CA SER A 112 -14.356 -9.439 -18.749 1.00 74.01 C ATOM 1366 C SER A 112 -15.668 -9.262 -19.509 1.00 4.21 C ATOM 1367 O SER A 112 -16.263 -10.233 -19.974 1.00 62.14 O ATOM 1368 CB SER A 112 -14.644 -9.742 -17.277 1.00 63.23 C ATOM 1369 OG SER A 112 -14.083 -10.986 -16.894 1.00 1.10 O ATOM 0 H SER A 112 -13.415 -7.721 -18.000 1.00 61.43 H new ATOM 0 HA SER A 112 -13.813 -10.277 -19.186 1.00 74.01 H new ATOM 0 HB2 SER A 112 -14.236 -8.948 -16.652 1.00 63.23 H new ATOM 0 HB3 SER A 112 -15.721 -9.758 -17.110 1.00 63.23 H new ATOM 0 HG SER A 112 -14.279 -11.156 -15.949 1.00 1.10 H new ATOM 1375 N GLN A 113 -16.110 -8.015 -19.629 1.00 55.52 N ATOM 1376 CA GLN A 113 -17.351 -7.709 -20.332 1.00 33.44 C ATOM 1377 C GLN A 113 -17.278 -8.161 -21.787 1.00 15.05 C ATOM 1378 O GLN A 113 -18.281 -8.571 -22.371 1.00 54.11 O ATOM 1379 CB GLN A 113 -17.644 -6.210 -20.265 1.00 14.43 C ATOM 1380 CG GLN A 113 -16.457 -5.340 -20.645 1.00 71.15 C ATOM 1381 CD GLN A 113 -16.010 -4.435 -19.515 1.00 13.34 C ATOM 1382 OE1 GLN A 113 -15.891 -4.867 -18.368 1.00 23.21 O ATOM 1383 NE2 GLN A 113 -15.761 -3.170 -19.832 1.00 44.31 N ATOM 0 H GLN A 113 -15.628 -7.200 -19.249 1.00 55.52 H new ATOM 0 HA GLN A 113 -18.160 -8.252 -19.842 1.00 33.44 H new ATOM 0 HB2 GLN A 113 -18.478 -5.981 -20.928 1.00 14.43 H new ATOM 0 HB3 GLN A 113 -17.962 -5.955 -19.254 1.00 14.43 H new ATOM 0 HG2 GLN A 113 -15.625 -5.978 -20.945 1.00 71.15 H new ATOM 0 HG3 GLN A 113 -16.720 -4.731 -21.510 1.00 71.15 H new ATOM 0 HE21 GLN A 113 -15.873 -2.854 -20.795 1.00 44.31 H new ATOM 0 HE22 GLN A 113 -15.458 -2.514 -19.112 1.00 44.31 H new ATOM 1392 N VAL A 114 -16.085 -8.083 -22.366 1.00 42.33 N ATOM 1393 CA VAL A 114 -15.881 -8.484 -23.753 1.00 43.00 C ATOM 1394 C VAL A 114 -15.261 -9.874 -23.837 1.00 74.53 C ATOM 1395 O VAL A 114 -14.602 -10.213 -24.819 1.00 43.25 O ATOM 1396 CB VAL A 114 -14.976 -7.485 -24.499 1.00 72.11 C ATOM 1397 CG1 VAL A 114 -15.550 -6.079 -24.415 1.00 12.00 C ATOM 1398 CG2 VAL A 114 -13.562 -7.527 -23.940 1.00 12.12 C ATOM 0 H VAL A 114 -15.245 -7.746 -21.896 1.00 42.33 H new ATOM 0 HA VAL A 114 -16.863 -8.497 -24.226 1.00 43.00 H new ATOM 0 HB VAL A 114 -14.935 -7.773 -25.550 1.00 72.11 H new ATOM 0 HG11 VAL A 114 -14.897 -5.387 -24.947 1.00 12.00 H new ATOM 0 HG12 VAL A 114 -16.542 -6.063 -24.867 1.00 12.00 H new ATOM 0 HG13 VAL A 114 -15.623 -5.778 -23.370 1.00 12.00 H new ATOM 0 HG21 VAL A 114 -12.937 -6.815 -24.479 1.00 12.12 H new ATOM 0 HG22 VAL A 114 -13.581 -7.265 -22.882 1.00 12.12 H new ATOM 0 HG23 VAL A 114 -13.154 -8.531 -24.058 1.00 12.12 H new ATOM 1408 N ALA A 115 -15.479 -10.677 -22.801 1.00 11.05 N ATOM 1409 CA ALA A 115 -14.945 -12.032 -22.758 1.00 65.32 C ATOM 1410 C ALA A 115 -15.746 -12.967 -23.657 1.00 74.14 C ATOM 1411 O ALA A 115 -15.193 -13.614 -24.545 1.00 63.24 O ATOM 1412 CB ALA A 115 -14.936 -12.552 -21.328 1.00 45.30 C ATOM 0 H ALA A 115 -16.022 -10.412 -21.979 1.00 11.05 H new ATOM 0 HA ALA A 115 -13.920 -12.003 -23.129 1.00 65.32 H new ATOM 0 HB1 ALA A 115 -14.535 -13.565 -21.312 1.00 45.30 H new ATOM 0 HB2 ALA A 115 -14.314 -11.905 -20.710 1.00 45.30 H new ATOM 0 HB3 ALA A 115 -15.953 -12.559 -20.937 1.00 45.30 H new ATOM 1418 N GLU A 116 -17.053 -13.033 -23.420 1.00 42.31 N ATOM 1419 CA GLU A 116 -17.930 -13.890 -24.209 1.00 24.43 C ATOM 1420 C GLU A 116 -18.146 -13.311 -25.604 1.00 63.50 C ATOM 1421 O GLU A 116 -18.319 -14.050 -26.574 1.00 12.41 O ATOM 1422 CB GLU A 116 -19.276 -14.067 -23.504 1.00 11.23 C ATOM 1423 CG GLU A 116 -20.146 -15.151 -24.116 1.00 75.14 C ATOM 1424 CD GLU A 116 -21.627 -14.901 -23.903 1.00 22.01 C ATOM 1425 OE1 GLU A 116 -22.058 -14.860 -22.731 1.00 41.25 O ATOM 1426 OE2 GLU A 116 -22.354 -14.747 -24.906 1.00 42.13 O ATOM 0 H GLU A 116 -17.527 -12.503 -22.688 1.00 42.31 H new ATOM 0 HA GLU A 116 -17.450 -14.863 -24.309 1.00 24.43 H new ATOM 0 HB2 GLU A 116 -19.099 -14.304 -22.455 1.00 11.23 H new ATOM 0 HB3 GLU A 116 -19.817 -13.121 -23.530 1.00 11.23 H new ATOM 0 HG2 GLU A 116 -19.942 -15.215 -25.185 1.00 75.14 H new ATOM 0 HG3 GLU A 116 -19.878 -16.115 -23.682 1.00 75.14 H new ATOM 1433 N ASP A 117 -18.134 -11.986 -25.696 1.00 73.34 N ATOM 1434 CA ASP A 117 -18.328 -11.307 -26.972 1.00 73.12 C ATOM 1435 C ASP A 117 -17.203 -10.311 -27.234 1.00 52.21 C ATOM 1436 O ASP A 117 -17.000 -9.873 -28.367 1.00 50.33 O ATOM 1437 CB ASP A 117 -19.678 -10.588 -26.991 1.00 40.12 C ATOM 1438 CG ASP A 117 -20.350 -10.653 -28.349 1.00 23.12 C ATOM 1439 OD1 ASP A 117 -20.233 -11.700 -29.018 1.00 63.54 O ATOM 1440 OD2 ASP A 117 -20.992 -9.656 -28.742 1.00 63.41 O ATOM 0 H ASP A 117 -17.992 -11.361 -24.903 1.00 73.34 H new ATOM 0 HA ASP A 117 -18.314 -12.058 -27.761 1.00 73.12 H new ATOM 0 HB2 ASP A 117 -20.334 -11.033 -26.243 1.00 40.12 H new ATOM 0 HB3 ASP A 117 -19.535 -9.545 -26.709 1.00 40.12 H new TER 1445 ASP A 117