USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1146 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: B 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0153) USER MOD Set 1.2: B 121 THR OG1 : rot 180:sc= -0.0179 USER MOD Set 2.1: B 83 GLN : amide:sc= 2.1 K(o=3.3,f=-0.37) USER MOD Set 2.2: B 84 SER OG : rot -19:sc= 1.21 USER MOD Set 3.1: B 70 ASN : amide:sc= -0.856 K(o=-0.86,f=-7.9!) USER MOD Set 3.2: B 103 ASN : amide:sc=-0.00704 K(o=-0.86,f=-1.7) USER MOD Set 4.1: A 29 GLN : amide:sc= 1.17 X(o=2.2,f=2.2) USER MOD Set 4.2: A 39 TYR OH : rot 180:sc= 1.01 USER MOD Set 5.1: A 5 ASN : amide:sc= 1.12 K(o=2.8,f=0.48) USER MOD Set 5.2: A 62 GLN : amide:sc= 1.63 K(o=2.8,f=-2.5) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.252 (180deg=-1.11) USER MOD Single : A 1 MET N :NH3+ -151:sc= 1.29 (180deg=1.16) USER MOD Single : A 4 ASN : amide:sc= -1.06 K(o=-1.1,f=-8.9!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 154:sc= 1.26 (180deg=0.273) USER MOD Single : A 13 LYS NZ :NH3+ -114:sc= 0.147 (180deg=-0.162) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0202) USER MOD Single : A 16 SER OG : rot 89:sc= 1.08 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 18 SER OG : rot 102:sc= 1.48 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.0924 X(o=0.092,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= 0.0198 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 12:sc= 0.978 USER MOD Single : A 54 ASN :FLIP amide:sc=-0.00219 F(o=-0.88,f=-0.0022) USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.037 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 71 ASN : amide:sc= 0.251 X(o=0.25,f=-0.21) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ -167:sc= -0.08 (180deg=-0.348) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 95 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : B 96 THR OG1 : rot -170:sc= 0.00349 USER MOD Single : B 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 102 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00782) USER MOD Single : B 104 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0326) USER MOD Single : B 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 108 SER OG : rot 36:sc= 0.0965 USER MOD Single : B 110 GLN :FLIP amide:sc= -0.0292 F(o=-2.3!,f=-0.029) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 TYR OH : rot 30:sc= 0 USER MOD Single : B 118 TYR OH : rot 27:sc= 1.26 USER MOD Single : B 120 ASN :FLIP amide:sc=-0.00485 F(o=-0.81,f=-0.0049) USER MOD Single : B 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 130 GLN : amide:sc= -1.02 K(o=-1,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.300 -4.468 3.907 1.00 4.52 N ATOM 2 CA MET A 1 11.654 -5.578 4.614 1.00 15.43 C ATOM 3 C MET A 1 10.214 -5.256 4.865 1.00 54.41 C ATOM 4 O MET A 1 9.867 -4.103 5.125 1.00 33.23 O ATOM 5 CB MET A 1 12.307 -5.859 5.974 1.00 32.24 C ATOM 6 CG MET A 1 13.735 -6.352 5.929 1.00 0.23 C ATOM 7 SD MET A 1 14.367 -6.753 7.579 1.00 54.32 S ATOM 8 CE MET A 1 13.217 -8.054 8.066 1.00 74.51 C ATOM 0 H1 MET A 1 13.077 -4.835 3.321 1.00 4.52 H new ATOM 0 H2 MET A 1 11.603 -3.991 3.300 1.00 4.52 H new ATOM 0 H3 MET A 1 12.679 -3.790 4.598 1.00 4.52 H new ATOM 0 HA MET A 1 11.761 -6.456 3.978 1.00 15.43 H new ATOM 0 HB2 MET A 1 12.277 -4.944 6.566 1.00 32.24 H new ATOM 0 HB3 MET A 1 11.703 -6.599 6.500 1.00 32.24 H new ATOM 0 HG2 MET A 1 13.794 -7.236 5.294 1.00 0.23 H new ATOM 0 HG3 MET A 1 14.367 -5.590 5.474 1.00 0.23 H new ATOM 0 HE1 MET A 1 13.683 -8.689 8.820 1.00 74.51 H new ATOM 0 HE2 MET A 1 12.313 -7.605 8.478 1.00 74.51 H new ATOM 0 HE3 MET A 1 12.958 -8.656 7.195 1.00 74.51 H new ATOM 20 N ILE A 2 9.387 -6.258 4.804 1.00 22.43 N ATOM 21 CA ILE A 2 7.980 -6.114 5.079 1.00 32.41 C ATOM 22 C ILE A 2 7.648 -6.954 6.298 1.00 45.13 C ATOM 23 O ILE A 2 8.109 -8.079 6.412 1.00 32.11 O ATOM 24 CB ILE A 2 7.106 -6.580 3.865 1.00 73.54 C ATOM 25 CG1 ILE A 2 7.440 -5.764 2.600 1.00 72.41 C ATOM 26 CG2 ILE A 2 5.606 -6.495 4.178 1.00 51.03 C ATOM 27 CD1 ILE A 2 7.224 -4.270 2.743 1.00 54.01 C ATOM 0 H ILE A 2 9.668 -7.208 4.560 1.00 22.43 H new ATOM 0 HA ILE A 2 7.759 -5.062 5.258 1.00 32.41 H new ATOM 0 HB ILE A 2 7.347 -7.626 3.677 1.00 73.54 H new ATOM 0 HG12 ILE A 2 8.481 -5.944 2.331 1.00 72.41 H new ATOM 0 HG13 ILE A 2 6.829 -6.130 1.775 1.00 72.41 H new ATOM 0 HG21 ILE A 2 5.034 -6.827 3.311 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.376 -7.134 5.031 1.00 51.03 H new ATOM 0 HG23 ILE A 2 5.342 -5.464 4.415 1.00 51.03 H new ATOM 0 HD11 ILE A 2 7.483 -3.774 1.808 1.00 54.01 H new ATOM 0 HD12 ILE A 2 6.178 -4.075 2.980 1.00 54.01 H new ATOM 0 HD13 ILE A 2 7.855 -3.886 3.544 1.00 54.01 H new ATOM 39 N ILE A 3 6.901 -6.402 7.204 1.00 31.31 N ATOM 40 CA ILE A 3 6.456 -7.094 8.389 1.00 25.12 C ATOM 41 C ILE A 3 4.942 -7.005 8.396 1.00 13.31 C ATOM 42 O ILE A 3 4.391 -5.908 8.363 1.00 33.20 O ATOM 43 CB ILE A 3 7.024 -6.442 9.693 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.565 -6.461 9.683 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.487 -7.163 10.936 1.00 51.22 C ATOM 46 CD1 ILE A 3 9.200 -5.787 10.885 1.00 2.41 C ATOM 0 H ILE A 3 6.573 -5.438 7.145 1.00 31.31 H new ATOM 0 HA ILE A 3 6.809 -8.125 8.371 1.00 25.12 H new ATOM 0 HB ILE A 3 6.693 -5.404 9.727 1.00 23.21 H new ATOM 0 HG12 ILE A 3 8.905 -7.496 9.638 1.00 63.44 H new ATOM 0 HG13 ILE A 3 8.918 -5.970 8.776 1.00 63.44 H new ATOM 0 HG21 ILE A 3 6.894 -6.695 11.832 1.00 51.22 H new ATOM 0 HG22 ILE A 3 5.399 -7.097 10.954 1.00 51.22 H new ATOM 0 HG23 ILE A 3 6.786 -8.211 10.907 1.00 51.22 H new ATOM 0 HD11 ILE A 3 10.285 -5.843 10.802 1.00 2.41 H new ATOM 0 HD12 ILE A 3 8.892 -4.742 10.921 1.00 2.41 H new ATOM 0 HD13 ILE A 3 8.879 -6.291 11.797 1.00 2.41 H new ATOM 58 N ASN A 4 4.276 -8.124 8.372 1.00 20.22 N ATOM 59 CA ASN A 4 2.828 -8.136 8.336 1.00 24.23 C ATOM 60 C ASN A 4 2.251 -8.381 9.726 1.00 32.00 C ATOM 61 O ASN A 4 2.734 -9.254 10.463 1.00 60.31 O ATOM 62 CB ASN A 4 2.341 -9.231 7.369 1.00 41.35 C ATOM 63 CG ASN A 4 0.833 -9.278 7.249 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.165 -8.271 7.377 1.00 51.44 O ATOM 65 ND2 ASN A 4 0.286 -10.444 7.015 1.00 33.01 N ATOM 0 H ASN A 4 4.708 -9.048 8.377 1.00 20.22 H new ATOM 0 HA ASN A 4 2.484 -7.162 7.988 1.00 24.23 H new ATOM 0 HB2 ASN A 4 2.774 -9.058 6.384 1.00 41.35 H new ATOM 0 HB3 ASN A 4 2.704 -10.200 7.712 1.00 41.35 H new ATOM 0 HD21 ASN A 4 -0.728 -10.525 6.935 1.00 33.01 H new ATOM 0 HD22 ASN A 4 0.873 -11.272 6.912 1.00 33.01 H new ATOM 72 N ASN A 5 1.249 -7.599 10.088 1.00 65.43 N ATOM 73 CA ASN A 5 0.537 -7.749 11.357 1.00 54.20 C ATOM 74 C ASN A 5 -0.958 -7.761 11.112 1.00 74.31 C ATOM 75 O ASN A 5 -1.749 -7.411 11.984 1.00 70.34 O ATOM 76 CB ASN A 5 0.916 -6.645 12.363 1.00 72.22 C ATOM 77 CG ASN A 5 2.306 -6.831 12.947 1.00 20.33 C ATOM 78 OD1 ASN A 5 2.483 -7.527 13.963 1.00 62.01 O ATOM 79 ND2 ASN A 5 3.286 -6.184 12.381 1.00 62.53 N ATOM 0 H ASN A 5 0.900 -6.835 9.509 1.00 65.43 H new ATOM 0 HA ASN A 5 0.835 -8.700 11.798 1.00 54.20 H new ATOM 0 HB2 ASN A 5 0.862 -5.675 11.868 1.00 72.22 H new ATOM 0 HB3 ASN A 5 0.186 -6.631 13.172 1.00 72.22 H new ATOM 0 HD21 ASN A 5 4.227 -6.241 12.771 1.00 62.53 H new ATOM 0 HD22 ASN A 5 3.112 -5.621 11.549 1.00 62.53 H new ATOM 86 N LEU A 6 -1.320 -8.252 9.935 1.00 31.42 N ATOM 87 CA LEU A 6 -2.709 -8.367 9.473 1.00 41.12 C ATOM 88 C LEU A 6 -3.556 -9.123 10.503 1.00 32.41 C ATOM 89 O LEU A 6 -4.695 -8.732 10.788 1.00 15.34 O ATOM 90 CB LEU A 6 -2.732 -9.069 8.078 1.00 22.14 C ATOM 91 CG LEU A 6 -4.052 -9.107 7.265 1.00 2.34 C ATOM 92 CD1 LEU A 6 -5.050 -10.123 7.803 1.00 11.20 C ATOM 93 CD2 LEU A 6 -4.673 -7.726 7.215 1.00 33.32 C ATOM 0 H LEU A 6 -0.643 -8.592 9.252 1.00 31.42 H new ATOM 0 HA LEU A 6 -3.144 -7.373 9.366 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -1.979 -8.585 7.456 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -2.409 -10.100 8.225 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.796 -9.428 6.255 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.953 -10.104 7.193 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -4.610 -11.119 7.767 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -5.302 -9.874 8.834 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -5.599 -7.764 6.642 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -4.887 -7.386 8.228 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -3.980 -7.032 6.739 1.00 33.32 H new ATOM 105 N LYS A 7 -2.983 -10.169 11.087 1.00 14.34 N ATOM 106 CA LYS A 7 -3.677 -10.962 12.095 1.00 42.10 C ATOM 107 C LYS A 7 -4.042 -10.120 13.317 1.00 53.11 C ATOM 108 O LYS A 7 -5.119 -10.260 13.852 1.00 74.22 O ATOM 109 CB LYS A 7 -2.876 -12.211 12.513 1.00 5.41 C ATOM 110 CG LYS A 7 -1.505 -11.933 13.125 1.00 35.52 C ATOM 111 CD LYS A 7 -0.831 -13.215 13.602 1.00 25.45 C ATOM 112 CE LYS A 7 -1.614 -13.871 14.732 1.00 12.21 C ATOM 113 NZ LYS A 7 -0.970 -15.112 15.203 1.00 61.12 N ATOM 0 H LYS A 7 -2.037 -10.488 10.879 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.601 -11.309 11.632 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -3.468 -12.778 13.231 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -2.743 -12.846 11.638 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -0.870 -11.440 12.388 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -1.613 -11.245 13.963 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -0.741 -13.912 12.768 1.00 25.45 H new ATOM 0 HD3 LYS A 7 0.180 -12.991 13.941 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -1.705 -13.172 15.563 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -2.625 -14.094 14.391 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 -1.535 -15.526 15.972 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 -0.906 -15.790 14.417 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 -0.015 -14.896 15.553 1.00 61.12 H new ATOM 127 N LEU A 8 -3.138 -9.236 13.729 1.00 3.54 N ATOM 128 CA LEU A 8 -3.360 -8.363 14.878 1.00 24.22 C ATOM 129 C LEU A 8 -4.477 -7.368 14.561 1.00 33.32 C ATOM 130 O LEU A 8 -5.307 -7.065 15.405 1.00 35.35 O ATOM 131 CB LEU A 8 -2.017 -7.672 15.278 1.00 15.15 C ATOM 132 CG LEU A 8 -1.964 -6.815 16.578 1.00 23.14 C ATOM 133 CD1 LEU A 8 -2.636 -5.464 16.420 1.00 50.24 C ATOM 134 CD2 LEU A 8 -2.581 -7.572 17.743 1.00 34.11 C ATOM 0 H LEU A 8 -2.233 -9.105 13.277 1.00 3.54 H new ATOM 0 HA LEU A 8 -3.689 -8.942 15.741 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -1.260 -8.451 15.367 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -1.718 -7.031 14.449 1.00 15.15 H new ATOM 0 HG LEU A 8 -0.910 -6.627 16.784 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -2.568 -4.912 17.357 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -2.139 -4.901 15.630 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -3.685 -5.607 16.159 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -2.535 -6.957 18.642 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -3.621 -7.805 17.516 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -2.030 -8.498 17.908 1.00 34.11 H new ATOM 146 N ILE A 9 -4.516 -6.899 13.334 1.00 72.34 N ATOM 147 CA ILE A 9 -5.589 -6.012 12.895 1.00 55.53 C ATOM 148 C ILE A 9 -6.921 -6.775 12.881 1.00 3.21 C ATOM 149 O ILE A 9 -7.982 -6.223 13.214 1.00 40.20 O ATOM 150 CB ILE A 9 -5.280 -5.260 11.545 1.00 33.31 C ATOM 151 CG1 ILE A 9 -4.288 -4.088 11.769 1.00 5.53 C ATOM 152 CG2 ILE A 9 -6.550 -4.729 10.890 1.00 15.31 C ATOM 153 CD1 ILE A 9 -2.910 -4.467 12.270 1.00 1.24 C ATOM 0 H ILE A 9 -3.822 -7.112 12.618 1.00 72.34 H new ATOM 0 HA ILE A 9 -5.671 -5.204 13.622 1.00 55.53 H new ATOM 0 HB ILE A 9 -4.825 -5.992 10.878 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.175 -3.550 10.828 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -4.733 -3.394 12.482 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -6.294 -4.217 9.962 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -7.222 -5.559 10.673 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -7.043 -4.030 11.566 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -2.306 -3.568 12.389 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -2.999 -4.974 13.231 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -2.432 -5.133 11.551 1.00 1.24 H new ATOM 165 N ARG A 10 -6.853 -8.041 12.501 1.00 23.44 N ATOM 166 CA ARG A 10 -8.000 -8.929 12.591 1.00 2.23 C ATOM 167 C ARG A 10 -8.462 -9.068 14.026 1.00 61.23 C ATOM 168 O ARG A 10 -9.635 -9.251 14.260 1.00 0.10 O ATOM 169 CB ARG A 10 -7.707 -10.308 12.040 1.00 24.15 C ATOM 170 CG ARG A 10 -7.713 -10.427 10.538 1.00 71.12 C ATOM 171 CD ARG A 10 -7.412 -11.858 10.146 1.00 32.20 C ATOM 172 NE ARG A 10 -8.257 -12.809 10.891 1.00 64.13 N ATOM 173 CZ ARG A 10 -7.922 -14.076 11.137 1.00 4.20 C ATOM 174 NH1 ARG A 10 -6.903 -14.629 10.500 1.00 64.25 N ATOM 175 NH2 ARG A 10 -8.631 -14.801 11.998 1.00 51.23 N ATOM 0 H ARG A 10 -6.011 -8.478 12.126 1.00 23.44 H new ATOM 0 HA ARG A 10 -8.785 -8.475 11.986 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -6.731 -10.626 12.407 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.442 -11.004 12.444 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -8.683 -10.126 10.142 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -6.970 -9.756 10.106 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.575 -11.986 9.076 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.361 -12.076 10.337 1.00 32.20 H new ATOM 0 HE ARG A 10 -9.156 -12.476 11.241 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -6.372 -14.086 9.819 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -6.648 -15.598 10.690 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -9.434 -14.388 12.473 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -8.372 -15.770 12.184 1.00 51.23 H new ATOM 189 N GLU A 11 -7.515 -9.059 14.965 1.00 3.43 N ATOM 190 CA GLU A 11 -7.809 -9.094 16.397 1.00 32.25 C ATOM 191 C GLU A 11 -8.430 -7.779 16.873 1.00 23.22 C ATOM 192 O GLU A 11 -9.200 -7.760 17.829 1.00 24.24 O ATOM 193 CB GLU A 11 -6.553 -9.424 17.201 1.00 73.21 C ATOM 194 CG GLU A 11 -5.905 -10.722 16.777 1.00 31.54 C ATOM 195 CD GLU A 11 -4.710 -11.097 17.617 1.00 75.21 C ATOM 196 OE1 GLU A 11 -4.892 -11.736 18.675 1.00 52.20 O ATOM 197 OE2 GLU A 11 -3.569 -10.807 17.232 1.00 73.43 O ATOM 0 H GLU A 11 -6.518 -9.027 14.752 1.00 3.43 H new ATOM 0 HA GLU A 11 -8.541 -9.884 16.565 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -5.834 -8.612 17.091 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -6.810 -9.481 18.259 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -6.643 -11.522 16.830 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -5.596 -10.642 15.735 1.00 31.54 H new ATOM 204 N LYS A 12 -8.000 -6.673 16.268 1.00 12.34 N ATOM 205 CA LYS A 12 -8.595 -5.356 16.531 1.00 0.30 C ATOM 206 C LYS A 12 -10.103 -5.348 16.198 1.00 41.03 C ATOM 207 O LYS A 12 -10.906 -4.732 16.910 1.00 70.21 O ATOM 208 CB LYS A 12 -7.827 -4.256 15.778 1.00 31.15 C ATOM 209 CG LYS A 12 -6.370 -4.135 16.231 1.00 63.14 C ATOM 210 CD LYS A 12 -5.567 -3.087 15.453 1.00 63.03 C ATOM 211 CE LYS A 12 -6.180 -1.699 15.538 1.00 13.30 C ATOM 212 NZ LYS A 12 -5.267 -0.646 15.032 1.00 22.43 N ATOM 0 H LYS A 12 -7.239 -6.659 15.589 1.00 12.34 H new ATOM 0 HA LYS A 12 -8.508 -5.143 17.597 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -7.854 -4.467 14.709 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -8.330 -3.301 15.927 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -6.348 -3.883 17.291 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -5.884 -5.105 16.124 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -4.548 -3.055 15.840 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -5.501 -3.388 14.407 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -7.107 -1.678 14.965 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -6.441 -1.483 16.574 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -5.825 0.165 14.696 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -4.634 -0.338 15.798 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -4.701 -1.026 14.247 1.00 22.43 H new ATOM 226 N LYS A 13 -10.478 -6.033 15.139 1.00 11.23 N ATOM 227 CA LYS A 13 -11.885 -6.290 14.836 1.00 71.54 C ATOM 228 C LYS A 13 -12.123 -7.732 15.268 1.00 62.41 C ATOM 229 O LYS A 13 -11.369 -8.229 16.080 1.00 22.21 O ATOM 230 CB LYS A 13 -12.175 -6.128 13.326 1.00 24.24 C ATOM 231 CG LYS A 13 -12.006 -4.708 12.775 1.00 24.13 C ATOM 232 CD LYS A 13 -12.857 -3.704 13.549 1.00 4.22 C ATOM 233 CE LYS A 13 -12.892 -2.335 12.879 1.00 44.25 C ATOM 234 NZ LYS A 13 -13.627 -2.368 11.593 1.00 54.41 N ATOM 0 H LYS A 13 -9.826 -6.429 14.462 1.00 11.23 H new ATOM 0 HA LYS A 13 -12.539 -5.586 15.350 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -11.515 -6.796 12.772 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -13.196 -6.456 13.132 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -10.957 -4.417 12.831 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -12.286 -4.689 11.722 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -13.873 -4.087 13.640 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -12.463 -3.601 14.560 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -13.363 -1.615 13.548 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -11.873 -1.989 12.706 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -12.968 -2.178 10.811 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -14.057 -3.306 11.463 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -14.373 -1.644 11.601 1.00 54.41 H new ATOM 248 N LYS A 14 -13.154 -8.407 14.847 1.00 71.43 N ATOM 249 CA LYS A 14 -13.191 -9.826 15.098 1.00 32.42 C ATOM 250 C LYS A 14 -13.714 -10.555 13.873 1.00 13.24 C ATOM 251 O LYS A 14 -14.882 -10.902 13.780 1.00 5.54 O ATOM 252 CB LYS A 14 -13.954 -10.180 16.409 1.00 73.24 C ATOM 253 CG LYS A 14 -15.316 -9.504 16.577 1.00 40.21 C ATOM 254 CD LYS A 14 -15.973 -9.902 17.888 1.00 43.22 C ATOM 255 CE LYS A 14 -17.313 -9.201 18.099 1.00 70.42 C ATOM 256 NZ LYS A 14 -17.178 -7.733 18.315 1.00 23.43 N ATOM 0 H LYS A 14 -13.954 -8.020 14.346 1.00 71.43 H new ATOM 0 HA LYS A 14 -12.173 -10.175 15.273 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -14.096 -11.260 16.447 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -13.326 -9.911 17.259 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -15.193 -8.421 16.543 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -15.965 -9.777 15.745 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -16.123 -10.981 17.904 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -15.305 -9.661 18.715 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -17.949 -9.377 17.231 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -17.816 -9.644 18.958 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -18.112 -7.325 18.519 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -16.541 -7.557 19.118 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -16.787 -7.291 17.459 1.00 23.43 H new ATOM 270 N ILE A 15 -12.855 -10.676 12.887 1.00 13.13 N ATOM 271 CA ILE A 15 -13.200 -11.310 11.627 1.00 43.54 C ATOM 272 C ILE A 15 -12.134 -12.354 11.289 1.00 51.30 C ATOM 273 O ILE A 15 -10.931 -12.100 11.472 1.00 65.41 O ATOM 274 CB ILE A 15 -13.296 -10.248 10.472 1.00 70.43 C ATOM 275 CG1 ILE A 15 -14.323 -9.151 10.825 1.00 24.32 C ATOM 276 CG2 ILE A 15 -13.670 -10.911 9.151 1.00 62.43 C ATOM 277 CD1 ILE A 15 -14.451 -8.049 9.787 1.00 1.24 C ATOM 0 H ILE A 15 -11.894 -10.338 12.932 1.00 13.13 H new ATOM 0 HA ILE A 15 -14.174 -11.789 11.725 1.00 43.54 H new ATOM 0 HB ILE A 15 -12.315 -9.786 10.360 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -15.299 -9.616 10.965 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -14.044 -8.703 11.779 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -13.730 -10.155 8.368 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -12.912 -11.648 8.886 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -14.636 -11.405 9.253 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -15.194 -7.323 10.117 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -13.488 -7.553 9.662 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -14.763 -8.480 8.836 1.00 1.24 H new ATOM 289 N SER A 16 -12.560 -13.509 10.813 1.00 2.42 N ATOM 290 CA SER A 16 -11.641 -14.577 10.495 1.00 41.31 C ATOM 291 C SER A 16 -11.214 -14.464 9.027 1.00 13.21 C ATOM 292 O SER A 16 -11.812 -13.682 8.261 1.00 35.13 O ATOM 293 CB SER A 16 -12.322 -15.911 10.737 1.00 43.33 C ATOM 294 OG SER A 16 -13.072 -15.875 11.947 1.00 71.34 O ATOM 0 H SER A 16 -13.541 -13.728 10.639 1.00 2.42 H new ATOM 0 HA SER A 16 -10.757 -14.505 11.128 1.00 41.31 H new ATOM 0 HB2 SER A 16 -12.980 -16.147 9.901 1.00 43.33 H new ATOM 0 HB3 SER A 16 -11.575 -16.703 10.788 1.00 43.33 H new ATOM 0 HG SER A 16 -13.980 -15.559 11.759 1.00 71.34 H new ATOM 300 N GLN A 17 -10.235 -15.273 8.626 1.00 45.12 N ATOM 301 CA GLN A 17 -9.703 -15.228 7.265 1.00 65.34 C ATOM 302 C GLN A 17 -10.767 -15.636 6.243 1.00 13.44 C ATOM 303 O GLN A 17 -10.799 -15.126 5.130 1.00 12.11 O ATOM 304 CB GLN A 17 -8.430 -16.078 7.104 1.00 30.22 C ATOM 305 CG GLN A 17 -8.593 -17.514 7.541 1.00 4.43 C ATOM 306 CD GLN A 17 -7.416 -18.386 7.204 1.00 53.31 C ATOM 307 OE1 GLN A 17 -7.378 -18.998 6.139 1.00 72.33 O ATOM 308 NE2 GLN A 17 -6.459 -18.457 8.081 1.00 45.23 N ATOM 0 H GLN A 17 -9.793 -15.969 9.226 1.00 45.12 H new ATOM 0 HA GLN A 17 -9.421 -14.193 7.072 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -8.123 -16.060 6.058 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -7.625 -15.622 7.681 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -8.757 -17.540 8.618 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -9.486 -17.928 7.073 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -6.527 -17.934 8.954 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -5.640 -19.036 7.896 1.00 45.23 H new ATOM 317 N SER A 18 -11.658 -16.527 6.643 1.00 55.44 N ATOM 318 CA SER A 18 -12.709 -17.011 5.802 1.00 52.11 C ATOM 319 C SER A 18 -13.731 -15.912 5.479 1.00 62.21 C ATOM 320 O SER A 18 -14.112 -15.727 4.317 1.00 10.02 O ATOM 321 CB SER A 18 -13.335 -18.186 6.523 1.00 45.03 C ATOM 322 OG SER A 18 -13.220 -17.991 7.943 1.00 21.34 O ATOM 0 H SER A 18 -11.661 -16.933 7.579 1.00 55.44 H new ATOM 0 HA SER A 18 -12.319 -17.326 4.834 1.00 52.11 H new ATOM 0 HB2 SER A 18 -14.384 -18.283 6.242 1.00 45.03 H new ATOM 0 HB3 SER A 18 -12.840 -19.112 6.231 1.00 45.03 H new ATOM 0 HG SER A 18 -14.077 -17.677 8.301 1.00 21.34 H new ATOM 328 N GLU A 19 -14.159 -15.178 6.505 1.00 50.43 N ATOM 329 CA GLU A 19 -15.075 -14.073 6.311 1.00 3.23 C ATOM 330 C GLU A 19 -14.424 -13.006 5.463 1.00 41.23 C ATOM 331 O GLU A 19 -15.085 -12.393 4.626 1.00 11.14 O ATOM 332 CB GLU A 19 -15.583 -13.457 7.628 1.00 33.34 C ATOM 333 CG GLU A 19 -16.357 -14.396 8.542 1.00 42.23 C ATOM 334 CD GLU A 19 -15.477 -15.323 9.332 1.00 44.10 C ATOM 335 OE1 GLU A 19 -15.105 -16.406 8.830 1.00 70.32 O ATOM 336 OE2 GLU A 19 -15.139 -14.989 10.476 1.00 64.25 O ATOM 0 H GLU A 19 -13.882 -15.334 7.474 1.00 50.43 H new ATOM 0 HA GLU A 19 -15.948 -14.482 5.802 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -14.727 -13.067 8.179 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.221 -12.607 7.387 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -16.960 -13.805 9.231 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -17.048 -14.988 7.941 1.00 42.23 H new ATOM 343 N LEU A 20 -13.125 -12.796 5.684 1.00 73.22 N ATOM 344 CA LEU A 20 -12.349 -11.859 4.884 1.00 10.22 C ATOM 345 C LEU A 20 -12.351 -12.272 3.429 1.00 65.33 C ATOM 346 O LEU A 20 -12.548 -11.448 2.565 1.00 30.50 O ATOM 347 CB LEU A 20 -10.905 -11.743 5.380 1.00 32.54 C ATOM 348 CG LEU A 20 -10.692 -11.069 6.730 1.00 41.02 C ATOM 349 CD1 LEU A 20 -9.223 -11.105 7.096 1.00 52.52 C ATOM 350 CD2 LEU A 20 -11.190 -9.629 6.691 1.00 23.21 C ATOM 0 H LEU A 20 -12.591 -13.266 6.414 1.00 73.22 H new ATOM 0 HA LEU A 20 -12.823 -10.883 4.987 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -10.482 -12.746 5.431 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.333 -11.194 4.632 1.00 32.54 H new ATOM 0 HG LEU A 20 -11.261 -11.610 7.487 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -9.077 -10.622 8.062 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -8.888 -12.141 7.154 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -8.646 -10.579 6.336 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -11.030 -9.162 7.663 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -10.643 -9.075 5.928 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -12.254 -9.618 6.454 1.00 23.21 H new ATOM 362 N ALA A 21 -12.191 -13.566 3.179 1.00 4.44 N ATOM 363 CA ALA A 21 -12.151 -14.089 1.823 1.00 14.42 C ATOM 364 C ALA A 21 -13.431 -13.763 1.075 1.00 35.03 C ATOM 365 O ALA A 21 -13.389 -13.209 -0.015 1.00 72.55 O ATOM 366 CB ALA A 21 -11.923 -15.588 1.838 1.00 1.41 C ATOM 0 H ALA A 21 -12.086 -14.275 3.905 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.320 -13.611 1.304 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -11.896 -15.962 0.815 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -10.975 -15.807 2.330 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -12.734 -16.074 2.381 1.00 1.41 H new ATOM 372 N ALA A 22 -14.566 -14.056 1.686 1.00 4.14 N ATOM 373 CA ALA A 22 -15.857 -13.774 1.074 1.00 53.23 C ATOM 374 C ALA A 22 -16.105 -12.268 0.954 1.00 34.22 C ATOM 375 O ALA A 22 -16.680 -11.794 -0.036 1.00 30.41 O ATOM 376 CB ALA A 22 -16.959 -14.428 1.879 1.00 24.13 C ATOM 0 H ALA A 22 -14.622 -14.490 2.607 1.00 4.14 H new ATOM 0 HA ALA A 22 -15.853 -14.187 0.065 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -17.923 -14.214 1.417 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -16.800 -15.506 1.905 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -16.949 -14.035 2.896 1.00 24.13 H new ATOM 382 N LEU A 23 -15.672 -11.532 1.966 1.00 71.12 N ATOM 383 CA LEU A 23 -15.807 -10.074 2.016 1.00 42.20 C ATOM 384 C LEU A 23 -15.012 -9.415 0.889 1.00 63.22 C ATOM 385 O LEU A 23 -15.429 -8.408 0.322 1.00 30.24 O ATOM 386 CB LEU A 23 -15.313 -9.556 3.377 1.00 60.54 C ATOM 387 CG LEU A 23 -15.527 -8.078 3.684 1.00 63.34 C ATOM 388 CD1 LEU A 23 -17.008 -7.752 3.716 1.00 60.14 C ATOM 389 CD2 LEU A 23 -14.879 -7.723 5.012 1.00 50.33 C ATOM 0 H LEU A 23 -15.212 -11.928 2.786 1.00 71.12 H new ATOM 0 HA LEU A 23 -16.859 -9.818 1.888 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -15.805 -10.137 4.157 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -14.246 -9.764 3.450 1.00 60.54 H new ATOM 0 HG LEU A 23 -15.062 -7.486 2.896 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -17.143 -6.693 3.936 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -17.452 -7.980 2.747 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -17.495 -8.348 4.488 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -15.037 -6.665 5.223 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -15.325 -8.322 5.806 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -13.809 -7.927 4.961 1.00 50.33 H new ATOM 401 N LEU A 24 -13.885 -10.004 0.562 1.00 61.11 N ATOM 402 CA LEU A 24 -13.004 -9.478 -0.467 1.00 33.50 C ATOM 403 C LEU A 24 -13.267 -10.154 -1.808 1.00 13.04 C ATOM 404 O LEU A 24 -12.605 -9.845 -2.814 1.00 54.12 O ATOM 405 CB LEU A 24 -11.548 -9.703 -0.068 1.00 1.13 C ATOM 406 CG LEU A 24 -11.131 -9.177 1.306 1.00 1.25 C ATOM 407 CD1 LEU A 24 -9.675 -9.472 1.567 1.00 24.05 C ATOM 408 CD2 LEU A 24 -11.419 -7.697 1.445 1.00 43.42 C ATOM 0 H LEU A 24 -13.549 -10.862 0.999 1.00 61.11 H new ATOM 0 HA LEU A 24 -13.200 -8.411 -0.568 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -11.347 -10.774 -0.100 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -10.912 -9.237 -0.820 1.00 1.13 H new ATOM 0 HG LEU A 24 -11.726 -9.696 2.057 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -9.397 -9.090 2.549 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -9.511 -10.549 1.537 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -9.064 -8.990 0.804 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -11.110 -7.357 2.434 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -10.868 -7.146 0.683 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -12.487 -7.521 1.318 1.00 43.42 H new ATOM 420 N GLU A 25 -14.249 -11.057 -1.814 1.00 45.33 N ATOM 421 CA GLU A 25 -14.628 -11.864 -2.974 1.00 22.43 C ATOM 422 C GLU A 25 -13.448 -12.659 -3.543 1.00 63.31 C ATOM 423 O GLU A 25 -13.298 -12.805 -4.765 1.00 72.53 O ATOM 424 CB GLU A 25 -15.304 -11.014 -4.050 1.00 34.10 C ATOM 425 CG GLU A 25 -16.572 -10.330 -3.577 1.00 74.02 C ATOM 426 CD GLU A 25 -17.318 -9.686 -4.703 1.00 63.23 C ATOM 427 OE1 GLU A 25 -16.979 -8.553 -5.093 1.00 54.24 O ATOM 428 OE2 GLU A 25 -18.251 -10.319 -5.239 1.00 73.13 O ATOM 0 H GLU A 25 -14.818 -11.252 -0.990 1.00 45.33 H new ATOM 0 HA GLU A 25 -15.357 -12.595 -2.624 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -14.601 -10.257 -4.398 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -15.540 -11.647 -4.906 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -17.216 -11.060 -3.087 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -16.320 -9.576 -2.831 1.00 74.02 H new ATOM 435 N VAL A 26 -12.669 -13.233 -2.658 1.00 33.53 N ATOM 436 CA VAL A 26 -11.514 -14.020 -3.025 1.00 2.41 C ATOM 437 C VAL A 26 -11.623 -15.394 -2.380 1.00 32.32 C ATOM 438 O VAL A 26 -12.535 -15.646 -1.579 1.00 23.34 O ATOM 439 CB VAL A 26 -10.157 -13.348 -2.614 1.00 63.23 C ATOM 440 CG1 VAL A 26 -9.944 -12.037 -3.360 1.00 12.32 C ATOM 441 CG2 VAL A 26 -10.076 -13.121 -1.105 1.00 4.10 C ATOM 0 H VAL A 26 -12.820 -13.167 -1.651 1.00 33.53 H new ATOM 0 HA VAL A 26 -11.507 -14.101 -4.112 1.00 2.41 H new ATOM 0 HB VAL A 26 -9.360 -14.037 -2.894 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -8.996 -11.594 -3.055 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -9.927 -12.228 -4.433 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -10.757 -11.349 -3.127 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -9.123 -12.654 -0.858 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.891 -12.469 -0.791 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -10.156 -14.077 -0.588 1.00 4.10 H new ATOM 451 N SER A 27 -10.717 -16.265 -2.705 1.00 35.42 N ATOM 452 CA SER A 27 -10.726 -17.591 -2.166 1.00 0.14 C ATOM 453 C SER A 27 -10.008 -17.589 -0.810 1.00 54.44 C ATOM 454 O SER A 27 -9.114 -16.747 -0.569 1.00 24.14 O ATOM 455 CB SER A 27 -10.023 -18.529 -3.143 1.00 23.34 C ATOM 456 OG SER A 27 -10.521 -18.344 -4.473 1.00 1.11 O ATOM 0 H SER A 27 -9.951 -16.077 -3.351 1.00 35.42 H new ATOM 0 HA SER A 27 -11.750 -17.934 -2.020 1.00 0.14 H new ATOM 0 HB2 SER A 27 -8.949 -18.344 -3.123 1.00 23.34 H new ATOM 0 HB3 SER A 27 -10.174 -19.563 -2.834 1.00 23.34 H new ATOM 0 HG SER A 27 -10.056 -18.953 -5.084 1.00 1.11 H new ATOM 462 N ARG A 28 -10.394 -18.502 0.069 1.00 33.45 N ATOM 463 CA ARG A 28 -9.795 -18.605 1.393 1.00 2.32 C ATOM 464 C ARG A 28 -8.310 -18.912 1.297 1.00 72.10 C ATOM 465 O ARG A 28 -7.515 -18.432 2.102 1.00 61.25 O ATOM 466 CB ARG A 28 -10.480 -19.661 2.251 1.00 73.14 C ATOM 467 CG ARG A 28 -11.959 -19.428 2.504 1.00 54.32 C ATOM 468 CD ARG A 28 -12.489 -20.401 3.548 1.00 53.33 C ATOM 469 NE ARG A 28 -12.288 -21.803 3.166 1.00 21.14 N ATOM 470 CZ ARG A 28 -11.463 -22.665 3.798 1.00 13.43 C ATOM 471 NH1 ARG A 28 -10.682 -22.248 4.789 1.00 20.31 N ATOM 472 NH2 ARG A 28 -11.406 -23.931 3.413 1.00 44.34 N ATOM 0 H ARG A 28 -11.126 -19.188 -0.113 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.932 -17.636 1.873 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -10.358 -20.632 1.770 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -9.967 -19.714 3.211 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -12.118 -18.404 2.841 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -12.515 -19.547 1.574 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -11.992 -20.213 4.500 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -13.553 -20.219 3.702 1.00 53.33 H new ATOM 0 HE ARG A 28 -12.811 -22.153 2.363 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -10.703 -21.270 5.078 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -10.062 -22.906 5.261 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -11.985 -24.255 2.639 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -10.783 -24.582 3.891 1.00 44.34 H new ATOM 486 N GLN A 29 -7.942 -19.710 0.315 1.00 63.51 N ATOM 487 CA GLN A 29 -6.556 -20.065 0.076 1.00 73.10 C ATOM 488 C GLN A 29 -5.747 -18.811 -0.320 1.00 21.43 C ATOM 489 O GLN A 29 -4.603 -18.640 0.098 1.00 63.01 O ATOM 490 CB GLN A 29 -6.537 -21.187 -0.996 1.00 14.11 C ATOM 491 CG GLN A 29 -5.187 -21.805 -1.379 1.00 34.33 C ATOM 492 CD GLN A 29 -4.461 -21.076 -2.486 1.00 13.43 C ATOM 493 OE1 GLN A 29 -4.677 -21.362 -3.665 1.00 35.21 O ATOM 494 NE2 GLN A 29 -3.568 -20.207 -2.139 1.00 24.53 N ATOM 0 H GLN A 29 -8.597 -20.132 -0.342 1.00 63.51 H new ATOM 0 HA GLN A 29 -6.074 -20.449 0.975 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -7.184 -21.992 -0.646 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -6.989 -20.787 -1.904 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -4.548 -21.829 -0.496 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -5.348 -22.839 -1.685 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -3.418 -19.996 -1.152 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -3.014 -19.732 -2.852 1.00 24.53 H new ATOM 503 N THR A 30 -6.378 -17.920 -1.062 1.00 21.22 N ATOM 504 CA THR A 30 -5.747 -16.705 -1.518 1.00 0.23 C ATOM 505 C THR A 30 -5.485 -15.754 -0.333 1.00 24.14 C ATOM 506 O THR A 30 -4.361 -15.281 -0.152 1.00 5.35 O ATOM 507 CB THR A 30 -6.651 -16.004 -2.542 1.00 71.41 C ATOM 508 OG1 THR A 30 -7.145 -16.987 -3.470 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.881 -14.931 -3.305 1.00 50.43 C ATOM 0 H THR A 30 -7.347 -18.023 -1.364 1.00 21.22 H new ATOM 0 HA THR A 30 -4.795 -16.962 -1.982 1.00 0.23 H new ATOM 0 HB THR A 30 -7.476 -15.524 -2.016 1.00 71.41 H new ATOM 0 HG1 THR A 30 -7.726 -16.552 -4.129 1.00 40.00 H new ATOM 0 HG21 THR A 30 -6.544 -14.449 -4.024 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.503 -14.186 -2.604 1.00 50.43 H new ATOM 0 HG23 THR A 30 -5.045 -15.389 -3.833 1.00 50.43 H new ATOM 517 N ILE A 31 -6.523 -15.498 0.481 1.00 3.24 N ATOM 518 CA ILE A 31 -6.383 -14.609 1.642 1.00 15.23 C ATOM 519 C ILE A 31 -5.377 -15.185 2.652 1.00 54.43 C ATOM 520 O ILE A 31 -4.586 -14.443 3.246 1.00 12.25 O ATOM 521 CB ILE A 31 -7.766 -14.279 2.328 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.606 -13.280 3.483 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.467 -15.526 2.817 1.00 12.10 C ATOM 524 CD1 ILE A 31 -7.086 -11.929 3.055 1.00 15.23 C ATOM 0 H ILE A 31 -7.457 -15.890 0.357 1.00 3.24 H new ATOM 0 HA ILE A 31 -5.993 -13.661 1.272 1.00 15.23 H new ATOM 0 HB ILE A 31 -8.386 -13.819 1.559 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.571 -13.149 3.973 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -6.927 -13.702 4.224 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.414 -15.252 3.282 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.655 -16.192 1.975 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -7.838 -16.034 3.547 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -7.000 -11.279 3.926 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -6.106 -12.046 2.592 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.776 -11.484 2.337 1.00 15.23 H new ATOM 536 N ASN A 32 -5.380 -16.508 2.791 1.00 30.33 N ATOM 537 CA ASN A 32 -4.434 -17.201 3.663 1.00 60.42 C ATOM 538 C ASN A 32 -3.013 -16.961 3.167 1.00 3.24 C ATOM 539 O ASN A 32 -2.114 -16.653 3.946 1.00 13.11 O ATOM 540 CB ASN A 32 -4.727 -18.708 3.696 1.00 64.50 C ATOM 541 CG ASN A 32 -3.812 -19.470 4.641 1.00 24.43 C ATOM 542 OD1 ASN A 32 -3.380 -18.955 5.670 1.00 33.15 O ATOM 543 ND2 ASN A 32 -3.514 -20.695 4.309 1.00 74.02 N ATOM 0 H ASN A 32 -6.032 -17.126 2.307 1.00 30.33 H new ATOM 0 HA ASN A 32 -4.540 -16.808 4.674 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -5.763 -18.865 3.997 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.622 -19.115 2.690 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -2.907 -21.253 4.910 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -3.888 -21.095 3.449 1.00 74.02 H new ATOM 550 N GLY A 33 -2.833 -17.062 1.854 1.00 32.15 N ATOM 551 CA GLY A 33 -1.544 -16.830 1.244 1.00 62.40 C ATOM 552 C GLY A 33 -1.047 -15.404 1.452 1.00 51.22 C ATOM 553 O GLY A 33 0.172 -15.175 1.585 1.00 73.51 O ATOM 0 H GLY A 33 -3.573 -17.305 1.195 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -0.818 -17.529 1.660 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.609 -17.036 0.176 1.00 62.40 H new ATOM 557 N ILE A 34 -1.968 -14.446 1.451 1.00 55.13 N ATOM 558 CA ILE A 34 -1.641 -13.052 1.709 1.00 14.23 C ATOM 559 C ILE A 34 -1.279 -12.855 3.186 1.00 12.31 C ATOM 560 O ILE A 34 -0.261 -12.238 3.499 1.00 62.21 O ATOM 561 CB ILE A 34 -2.829 -12.101 1.330 1.00 13.40 C ATOM 562 CG1 ILE A 34 -3.192 -12.232 -0.162 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.513 -10.641 1.678 1.00 62.42 C ATOM 564 CD1 ILE A 34 -2.074 -11.856 -1.121 1.00 51.13 C ATOM 0 H ILE A 34 -2.958 -14.615 1.272 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.785 -12.796 1.085 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.691 -12.409 1.922 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.492 -13.261 -0.360 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -4.057 -11.602 -0.369 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.358 -10.010 1.402 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.330 -10.554 2.749 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.627 -10.320 1.131 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -2.419 -11.979 -2.148 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.787 -10.817 -0.956 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -1.213 -12.502 -0.948 1.00 51.13 H new ATOM 576 N GLU A 35 -2.107 -13.392 4.083 1.00 42.35 N ATOM 577 CA GLU A 35 -1.868 -13.296 5.527 1.00 14.13 C ATOM 578 C GLU A 35 -0.530 -13.959 5.908 1.00 62.12 C ATOM 579 O GLU A 35 0.203 -13.469 6.775 1.00 33.44 O ATOM 580 CB GLU A 35 -3.028 -13.917 6.320 1.00 72.22 C ATOM 581 CG GLU A 35 -2.965 -13.638 7.815 1.00 22.14 C ATOM 582 CD GLU A 35 -4.057 -14.325 8.594 1.00 2.35 C ATOM 583 OE1 GLU A 35 -5.156 -13.776 8.721 1.00 14.03 O ATOM 584 OE2 GLU A 35 -3.808 -15.446 9.121 1.00 12.42 O ATOM 0 H GLU A 35 -2.955 -13.901 3.834 1.00 42.35 H new ATOM 0 HA GLU A 35 -1.809 -12.239 5.787 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -3.970 -13.535 5.927 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -3.030 -14.995 6.160 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -1.997 -13.961 8.198 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -3.031 -12.563 7.980 1.00 22.14 H new ATOM 591 N LYS A 36 -0.182 -15.033 5.215 1.00 72.42 N ATOM 592 CA LYS A 36 1.079 -15.734 5.443 1.00 3.42 C ATOM 593 C LYS A 36 2.214 -15.095 4.649 1.00 64.33 C ATOM 594 O LYS A 36 3.334 -15.609 4.631 1.00 74.05 O ATOM 595 CB LYS A 36 0.947 -17.221 5.075 1.00 71.34 C ATOM 596 CG LYS A 36 0.066 -18.014 6.030 1.00 73.40 C ATOM 597 CD LYS A 36 0.680 -18.055 7.421 1.00 3.32 C ATOM 598 CE LYS A 36 1.982 -18.838 7.426 1.00 11.20 C ATOM 599 NZ LYS A 36 2.681 -18.735 8.713 1.00 30.21 N ATOM 0 H LYS A 36 -0.760 -15.444 4.482 1.00 72.42 H new ATOM 0 HA LYS A 36 1.317 -15.655 6.504 1.00 3.42 H new ATOM 0 HB2 LYS A 36 0.539 -17.302 4.067 1.00 71.34 H new ATOM 0 HB3 LYS A 36 1.940 -17.670 5.054 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.925 -17.563 6.078 1.00 73.40 H new ATOM 0 HG3 LYS A 36 -0.064 -19.029 5.655 1.00 73.40 H new ATOM 0 HD2 LYS A 36 0.863 -17.039 7.770 1.00 3.32 H new ATOM 0 HD3 LYS A 36 -0.023 -18.510 8.118 1.00 3.32 H new ATOM 0 HE2 LYS A 36 1.776 -19.886 7.208 1.00 11.20 H new ATOM 0 HE3 LYS A 36 2.630 -18.469 6.631 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 3.564 -19.283 8.673 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 2.901 -17.738 8.910 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 2.074 -19.111 9.469 1.00 30.21 H new ATOM 613 N ASN A 37 1.899 -13.963 4.005 1.00 21.34 N ATOM 614 CA ASN A 37 2.817 -13.144 3.176 1.00 41.10 C ATOM 615 C ASN A 37 3.637 -13.969 2.173 1.00 30.41 C ATOM 616 O ASN A 37 4.701 -13.552 1.722 1.00 2.25 O ATOM 617 CB ASN A 37 3.706 -12.171 4.037 1.00 42.23 C ATOM 618 CG ASN A 37 4.731 -12.834 4.967 1.00 63.02 C ATOM 619 OD1 ASN A 37 4.427 -13.167 6.134 1.00 64.43 O ATOM 620 ND2 ASN A 37 5.946 -12.953 4.511 1.00 15.22 N ATOM 0 H ASN A 37 0.959 -13.569 4.044 1.00 21.34 H new ATOM 0 HA ASN A 37 2.172 -12.510 2.567 1.00 41.10 H new ATOM 0 HB2 ASN A 37 4.239 -11.504 3.359 1.00 42.23 H new ATOM 0 HB3 ASN A 37 3.046 -11.549 4.642 1.00 42.23 H new ATOM 0 HD21 ASN A 37 6.681 -13.327 5.111 1.00 15.22 H new ATOM 0 HD22 ASN A 37 6.161 -12.672 3.554 1.00 15.22 H new ATOM 627 N LYS A 38 3.060 -15.063 1.706 1.00 23.05 N ATOM 628 CA LYS A 38 3.772 -15.961 0.816 1.00 71.21 C ATOM 629 C LYS A 38 3.419 -15.628 -0.635 1.00 63.12 C ATOM 630 O LYS A 38 4.116 -15.997 -1.574 1.00 54.40 O ATOM 631 CB LYS A 38 3.474 -17.431 1.181 1.00 54.41 C ATOM 632 CG LYS A 38 4.230 -18.461 0.340 1.00 51.33 C ATOM 633 CD LYS A 38 4.117 -19.873 0.910 1.00 14.11 C ATOM 634 CE LYS A 38 2.678 -20.357 1.016 1.00 53.22 C ATOM 635 NZ LYS A 38 2.615 -21.731 1.548 1.00 30.43 N ATOM 0 H LYS A 38 2.106 -15.349 1.927 1.00 23.05 H new ATOM 0 HA LYS A 38 4.847 -15.825 0.932 1.00 71.21 H new ATOM 0 HB2 LYS A 38 3.720 -17.588 2.231 1.00 54.41 H new ATOM 0 HB3 LYS A 38 2.404 -17.609 1.074 1.00 54.41 H new ATOM 0 HG2 LYS A 38 3.841 -18.451 -0.678 1.00 51.33 H new ATOM 0 HG3 LYS A 38 5.281 -18.178 0.282 1.00 51.33 H new ATOM 0 HD2 LYS A 38 4.680 -20.560 0.279 1.00 14.11 H new ATOM 0 HD3 LYS A 38 4.577 -19.898 1.898 1.00 14.11 H new ATOM 0 HE2 LYS A 38 2.113 -19.687 1.664 1.00 53.22 H new ATOM 0 HE3 LYS A 38 2.207 -20.323 0.034 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 1.622 -22.034 1.609 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 3.135 -22.372 0.915 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 3.044 -21.757 2.495 1.00 30.43 H new ATOM 649 N TYR A 39 2.351 -14.885 -0.800 1.00 74.05 N ATOM 650 CA TYR A 39 1.929 -14.424 -2.114 1.00 12.53 C ATOM 651 C TYR A 39 2.586 -13.109 -2.480 1.00 13.41 C ATOM 652 O TYR A 39 2.459 -12.655 -3.615 1.00 2.12 O ATOM 653 CB TYR A 39 0.411 -14.289 -2.187 1.00 73.50 C ATOM 654 CG TYR A 39 -0.295 -15.519 -2.684 1.00 32.23 C ATOM 655 CD1 TYR A 39 -0.244 -16.719 -1.993 1.00 62.14 C ATOM 656 CD2 TYR A 39 -1.018 -15.471 -3.863 1.00 33.20 C ATOM 657 CE1 TYR A 39 -0.894 -17.837 -2.471 1.00 3.04 C ATOM 658 CE2 TYR A 39 -1.671 -16.579 -4.345 1.00 1.32 C ATOM 659 CZ TYR A 39 -1.606 -17.759 -3.650 1.00 33.11 C ATOM 660 OH TYR A 39 -2.250 -18.869 -4.133 1.00 24.32 O ATOM 0 H TYR A 39 1.748 -14.581 -0.036 1.00 74.05 H new ATOM 0 HA TYR A 39 2.248 -15.176 -2.836 1.00 12.53 H new ATOM 0 HB2 TYR A 39 0.032 -14.042 -1.195 1.00 73.50 H new ATOM 0 HB3 TYR A 39 0.163 -13.453 -2.841 1.00 73.50 H new ATOM 0 HD1 TYR A 39 0.312 -16.779 -1.069 1.00 62.14 H new ATOM 0 HD2 TYR A 39 -1.070 -14.544 -4.415 1.00 33.20 H new ATOM 0 HE1 TYR A 39 -0.846 -18.768 -1.926 1.00 3.04 H new ATOM 0 HE2 TYR A 39 -2.232 -16.521 -5.266 1.00 1.32 H new ATOM 0 HH TYR A 39 -2.705 -18.644 -4.971 1.00 24.32 H new ATOM 670 N ASN A 40 3.310 -12.529 -1.513 1.00 43.42 N ATOM 671 CA ASN A 40 3.978 -11.212 -1.651 1.00 41.25 C ATOM 672 C ASN A 40 2.915 -10.118 -1.806 1.00 40.41 C ATOM 673 O ASN A 40 2.300 -9.983 -2.859 1.00 21.44 O ATOM 674 CB ASN A 40 4.997 -11.199 -2.822 1.00 44.44 C ATOM 675 CG ASN A 40 5.806 -9.914 -2.935 1.00 2.30 C ATOM 676 OD1 ASN A 40 6.877 -9.781 -2.326 1.00 64.13 O ATOM 677 ND2 ASN A 40 5.339 -8.988 -3.728 1.00 53.45 N ATOM 0 H ASN A 40 3.455 -12.960 -0.600 1.00 43.42 H new ATOM 0 HA ASN A 40 4.555 -11.015 -0.748 1.00 41.25 H new ATOM 0 HB2 ASN A 40 5.683 -12.037 -2.700 1.00 44.44 H new ATOM 0 HB3 ASN A 40 4.460 -11.360 -3.757 1.00 44.44 H new ATOM 0 HD21 ASN A 40 5.860 -8.121 -3.862 1.00 53.45 H new ATOM 0 HD22 ASN A 40 4.454 -9.131 -4.214 1.00 53.45 H new ATOM 684 N PRO A 41 2.666 -9.353 -0.736 1.00 2.41 N ATOM 685 CA PRO A 41 1.575 -8.363 -0.684 1.00 33.40 C ATOM 686 C PRO A 41 1.614 -7.299 -1.792 1.00 61.13 C ATOM 687 O PRO A 41 2.553 -6.508 -1.891 1.00 2.50 O ATOM 688 CB PRO A 41 1.743 -7.706 0.694 1.00 23.24 C ATOM 689 CG PRO A 41 2.526 -8.692 1.491 1.00 52.51 C ATOM 690 CD PRO A 41 3.444 -9.363 0.516 1.00 12.41 C ATOM 0 HA PRO A 41 0.615 -8.855 -0.839 1.00 33.40 H new ATOM 0 HB2 PRO A 41 2.267 -6.753 0.617 1.00 23.24 H new ATOM 0 HB3 PRO A 41 0.777 -7.502 1.156 1.00 23.24 H new ATOM 0 HG2 PRO A 41 3.089 -8.197 2.282 1.00 52.51 H new ATOM 0 HG3 PRO A 41 1.869 -9.416 1.973 1.00 52.51 H new ATOM 0 HD2 PRO A 41 4.385 -8.823 0.410 1.00 12.41 H new ATOM 0 HD3 PRO A 41 3.692 -10.377 0.828 1.00 12.41 H new ATOM 698 N SER A 42 0.625 -7.339 -2.650 1.00 32.11 N ATOM 699 CA SER A 42 0.422 -6.319 -3.644 1.00 31.54 C ATOM 700 C SER A 42 -0.655 -5.390 -3.104 1.00 35.33 C ATOM 701 O SER A 42 -1.456 -5.816 -2.248 1.00 31.14 O ATOM 702 CB SER A 42 0.000 -6.961 -4.963 1.00 33.24 C ATOM 703 OG SER A 42 0.943 -7.969 -5.340 1.00 63.24 O ATOM 0 H SER A 42 -0.067 -8.088 -2.677 1.00 32.11 H new ATOM 0 HA SER A 42 1.335 -5.757 -3.841 1.00 31.54 H new ATOM 0 HB2 SER A 42 -0.993 -7.399 -4.862 1.00 33.24 H new ATOM 0 HB3 SER A 42 -0.064 -6.202 -5.742 1.00 33.24 H new ATOM 0 HG SER A 42 0.665 -8.377 -6.186 1.00 63.24 H new ATOM 709 N LEU A 43 -0.704 -4.169 -3.586 1.00 41.22 N ATOM 710 CA LEU A 43 -1.573 -3.171 -3.008 1.00 3.42 C ATOM 711 C LEU A 43 -3.047 -3.526 -3.156 1.00 71.35 C ATOM 712 O LEU A 43 -3.770 -3.424 -2.198 1.00 31.14 O ATOM 713 CB LEU A 43 -1.213 -1.737 -3.502 1.00 34.44 C ATOM 714 CG LEU A 43 -1.854 -0.511 -2.767 1.00 23.40 C ATOM 715 CD1 LEU A 43 -3.298 -0.273 -3.188 1.00 22.03 C ATOM 716 CD2 LEU A 43 -1.753 -0.671 -1.230 1.00 44.53 C ATOM 0 H LEU A 43 -0.151 -3.843 -4.379 1.00 41.22 H new ATOM 0 HA LEU A 43 -1.395 -3.165 -1.933 1.00 3.42 H new ATOM 0 HB2 LEU A 43 -0.130 -1.629 -3.445 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -1.485 -1.671 -4.556 1.00 34.44 H new ATOM 0 HG LEU A 43 -1.283 0.368 -3.065 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -3.697 0.587 -2.650 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -3.337 -0.081 -4.260 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -3.895 -1.155 -2.955 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -2.205 0.193 -0.744 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -2.278 -1.576 -0.923 1.00 44.53 H new ATOM 0 HD23 LEU A 43 -0.705 -0.743 -0.940 1.00 44.53 H new ATOM 728 N GLN A 44 -3.486 -3.994 -4.324 1.00 2.30 N ATOM 729 CA GLN A 44 -4.900 -4.353 -4.524 1.00 25.44 C ATOM 730 C GLN A 44 -5.375 -5.379 -3.485 1.00 14.52 C ATOM 731 O GLN A 44 -6.443 -5.214 -2.874 1.00 12.34 O ATOM 732 CB GLN A 44 -5.099 -4.929 -5.936 1.00 43.20 C ATOM 733 CG GLN A 44 -6.530 -5.343 -6.266 1.00 23.12 C ATOM 734 CD GLN A 44 -7.490 -4.176 -6.308 1.00 1.11 C ATOM 735 OE1 GLN A 44 -7.685 -3.568 -7.350 1.00 21.35 O ATOM 736 NE2 GLN A 44 -8.089 -3.850 -5.190 1.00 45.30 N ATOM 0 H GLN A 44 -2.894 -4.134 -5.142 1.00 2.30 H new ATOM 0 HA GLN A 44 -5.492 -3.446 -4.404 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -4.774 -4.186 -6.665 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -4.449 -5.796 -6.054 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -6.542 -5.850 -7.231 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -6.874 -6.062 -5.523 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -7.903 -4.380 -4.338 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -8.742 -3.067 -5.171 1.00 45.30 H new ATOM 745 N LEU A 45 -4.593 -6.422 -3.316 1.00 33.52 N ATOM 746 CA LEU A 45 -4.891 -7.485 -2.366 1.00 33.42 C ATOM 747 C LEU A 45 -4.839 -6.989 -0.924 1.00 12.12 C ATOM 748 O LEU A 45 -5.752 -7.232 -0.151 1.00 53.21 O ATOM 749 CB LEU A 45 -3.946 -8.701 -2.543 1.00 75.22 C ATOM 750 CG LEU A 45 -4.058 -9.526 -3.848 1.00 12.11 C ATOM 751 CD1 LEU A 45 -5.483 -10.000 -4.088 1.00 72.44 C ATOM 752 CD2 LEU A 45 -3.508 -8.778 -5.060 1.00 1.23 C ATOM 0 H LEU A 45 -3.726 -6.563 -3.834 1.00 33.52 H new ATOM 0 HA LEU A 45 -5.909 -7.810 -2.580 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -2.920 -8.341 -2.463 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -4.113 -9.378 -1.705 1.00 75.22 H new ATOM 0 HG LEU A 45 -3.432 -10.408 -3.713 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -5.524 -10.576 -5.013 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -5.803 -10.627 -3.256 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -6.145 -9.138 -4.168 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -3.610 -9.400 -5.949 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -4.065 -7.852 -5.199 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -2.455 -8.547 -4.898 1.00 1.23 H new ATOM 764 N ALA A 46 -3.793 -6.269 -0.591 1.00 72.35 N ATOM 765 CA ALA A 46 -3.586 -5.800 0.770 1.00 41.10 C ATOM 766 C ALA A 46 -4.573 -4.701 1.157 1.00 44.34 C ATOM 767 O ALA A 46 -5.109 -4.691 2.269 1.00 24.52 O ATOM 768 CB ALA A 46 -2.156 -5.314 0.946 1.00 4.33 C ATOM 0 H ALA A 46 -3.063 -5.990 -1.247 1.00 72.35 H new ATOM 0 HA ALA A 46 -3.765 -6.644 1.437 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -2.013 -4.965 1.969 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -1.466 -6.133 0.742 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -1.962 -4.495 0.253 1.00 4.33 H new ATOM 774 N LEU A 47 -4.841 -3.806 0.231 1.00 33.43 N ATOM 775 CA LEU A 47 -5.671 -2.662 0.500 1.00 23.45 C ATOM 776 C LEU A 47 -7.117 -3.034 0.713 1.00 50.21 C ATOM 777 O LEU A 47 -7.765 -2.434 1.539 1.00 21.23 O ATOM 778 CB LEU A 47 -5.492 -1.570 -0.588 1.00 32.41 C ATOM 779 CG LEU A 47 -6.234 -0.226 -0.415 1.00 61.44 C ATOM 780 CD1 LEU A 47 -7.703 -0.316 -0.836 1.00 11.43 C ATOM 781 CD2 LEU A 47 -6.116 0.254 1.030 1.00 70.53 C ATOM 0 H LEU A 47 -4.489 -3.854 -0.725 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.334 -2.234 1.444 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -4.427 -1.352 -0.667 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -5.801 -1.999 -1.541 1.00 32.41 H new ATOM 0 HG LEU A 47 -5.759 0.500 -1.075 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -8.182 0.653 -0.696 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -7.764 -0.602 -1.886 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -8.211 -1.063 -0.226 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -6.642 1.202 1.143 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -6.557 -0.487 1.697 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -5.065 0.390 1.283 1.00 70.53 H new ATOM 793 N LYS A 48 -7.637 -4.017 -0.002 1.00 52.33 N ATOM 794 CA LYS A 48 -9.036 -4.370 0.210 1.00 54.10 C ATOM 795 C LYS A 48 -9.277 -4.819 1.652 1.00 25.41 C ATOM 796 O LYS A 48 -10.273 -4.441 2.269 1.00 42.33 O ATOM 797 CB LYS A 48 -9.587 -5.362 -0.832 1.00 63.32 C ATOM 798 CG LYS A 48 -8.782 -6.638 -1.035 1.00 23.52 C ATOM 799 CD LYS A 48 -9.470 -7.571 -2.033 1.00 64.34 C ATOM 800 CE LYS A 48 -9.714 -6.890 -3.372 1.00 3.10 C ATOM 801 NZ LYS A 48 -10.453 -7.748 -4.311 1.00 33.32 N ATOM 0 H LYS A 48 -7.141 -4.565 -0.705 1.00 52.33 H new ATOM 0 HA LYS A 48 -9.616 -3.461 0.052 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -10.600 -5.639 -0.540 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -9.661 -4.847 -1.790 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -7.784 -6.388 -1.395 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -8.658 -7.149 -0.080 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -8.855 -8.458 -2.184 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -10.420 -7.908 -1.619 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -10.272 -5.967 -3.211 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -8.758 -6.611 -3.814 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -11.022 -7.155 -4.948 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -9.780 -8.311 -4.870 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -11.080 -8.385 -3.779 1.00 33.32 H new ATOM 815 N ILE A 49 -8.322 -5.549 2.195 1.00 54.11 N ATOM 816 CA ILE A 49 -8.385 -5.971 3.588 1.00 1.24 C ATOM 817 C ILE A 49 -8.344 -4.718 4.489 1.00 2.41 C ATOM 818 O ILE A 49 -9.163 -4.551 5.394 1.00 64.12 O ATOM 819 CB ILE A 49 -7.179 -6.856 3.984 1.00 62.52 C ATOM 820 CG1 ILE A 49 -6.830 -7.858 2.879 1.00 62.35 C ATOM 821 CG2 ILE A 49 -7.525 -7.609 5.260 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.559 -8.644 3.144 1.00 35.31 C ATOM 0 H ILE A 49 -7.491 -5.864 1.695 1.00 54.11 H new ATOM 0 HA ILE A 49 -9.304 -6.544 3.714 1.00 1.24 H new ATOM 0 HB ILE A 49 -6.312 -6.214 4.138 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -7.659 -8.555 2.759 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -6.725 -7.322 1.936 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -6.683 -8.237 5.551 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -7.738 -6.896 6.057 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -8.402 -8.234 5.088 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -5.378 -9.332 2.318 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -4.718 -7.956 3.234 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -5.667 -9.209 4.070 1.00 35.31 H new ATOM 834 N ALA A 50 -7.434 -3.815 4.146 1.00 44.20 N ATOM 835 CA ALA A 50 -7.178 -2.578 4.894 1.00 11.21 C ATOM 836 C ALA A 50 -8.383 -1.651 4.877 1.00 70.10 C ATOM 837 O ALA A 50 -8.680 -0.969 5.857 1.00 34.45 O ATOM 838 CB ALA A 50 -5.990 -1.858 4.287 1.00 53.40 C ATOM 0 H ALA A 50 -6.838 -3.919 3.325 1.00 44.20 H new ATOM 0 HA ALA A 50 -6.972 -2.850 5.929 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -5.799 -0.939 4.842 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.111 -2.501 4.336 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.204 -1.615 3.246 1.00 53.40 H new ATOM 844 N TYR A 51 -9.026 -1.605 3.745 1.00 50.04 N ATOM 845 CA TYR A 51 -10.191 -0.796 3.503 1.00 11.22 C ATOM 846 C TYR A 51 -11.414 -1.322 4.258 1.00 40.54 C ATOM 847 O TYR A 51 -12.125 -0.550 4.911 1.00 51.22 O ATOM 848 CB TYR A 51 -10.427 -0.725 1.985 1.00 31.54 C ATOM 849 CG TYR A 51 -11.755 -0.181 1.549 1.00 42.44 C ATOM 850 CD1 TYR A 51 -12.021 1.180 1.535 1.00 73.13 C ATOM 851 CD2 TYR A 51 -12.742 -1.048 1.139 1.00 52.31 C ATOM 852 CE1 TYR A 51 -13.250 1.652 1.122 1.00 33.41 C ATOM 853 CE2 TYR A 51 -13.967 -0.591 0.725 1.00 14.05 C ATOM 854 CZ TYR A 51 -14.218 0.759 0.717 1.00 45.04 C ATOM 855 OH TYR A 51 -15.441 1.213 0.303 1.00 12.24 O ATOM 0 H TYR A 51 -8.743 -2.151 2.932 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.024 0.211 3.884 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -9.643 -0.110 1.544 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -10.315 -1.728 1.573 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -11.259 1.877 1.850 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -12.548 -2.110 1.143 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -13.452 2.713 1.116 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -14.729 -1.288 0.408 1.00 14.05 H new ATOM 0 HH TYR A 51 -16.004 0.452 0.051 1.00 12.24 H new ATOM 865 N TYR A 52 -11.659 -2.622 4.184 1.00 52.41 N ATOM 866 CA TYR A 52 -12.808 -3.198 4.870 1.00 3.45 C ATOM 867 C TYR A 52 -12.632 -3.214 6.375 1.00 25.43 C ATOM 868 O TYR A 52 -13.562 -2.905 7.117 1.00 40.30 O ATOM 869 CB TYR A 52 -13.188 -4.569 4.317 1.00 51.32 C ATOM 870 CG TYR A 52 -13.895 -4.482 2.984 1.00 74.11 C ATOM 871 CD1 TYR A 52 -15.242 -4.193 2.934 1.00 25.42 C ATOM 872 CD2 TYR A 52 -13.227 -4.671 1.790 1.00 1.22 C ATOM 873 CE1 TYR A 52 -15.905 -4.089 1.741 1.00 72.42 C ATOM 874 CE2 TYR A 52 -13.883 -4.575 0.582 1.00 0.00 C ATOM 875 CZ TYR A 52 -15.226 -4.280 0.567 1.00 75.33 C ATOM 876 OH TYR A 52 -15.893 -4.161 -0.627 1.00 10.50 O ATOM 0 H TYR A 52 -11.088 -3.289 3.665 1.00 52.41 H new ATOM 0 HA TYR A 52 -13.651 -2.538 4.664 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -12.288 -5.175 4.208 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -13.832 -5.080 5.033 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -15.786 -4.046 3.855 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -12.171 -4.898 1.803 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -16.960 -3.857 1.726 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -13.348 -4.730 -0.343 1.00 0.00 H new ATOM 0 HH TYR A 52 -16.772 -3.757 -0.472 1.00 10.50 H new ATOM 886 N LEU A 53 -11.439 -3.533 6.825 1.00 43.52 N ATOM 887 CA LEU A 53 -11.130 -3.499 8.258 1.00 35.04 C ATOM 888 C LEU A 53 -10.965 -2.056 8.741 1.00 52.42 C ATOM 889 O LEU A 53 -11.001 -1.785 9.940 1.00 34.31 O ATOM 890 CB LEU A 53 -9.883 -4.334 8.586 1.00 34.25 C ATOM 891 CG LEU A 53 -10.005 -5.847 8.335 1.00 75.05 C ATOM 892 CD1 LEU A 53 -8.693 -6.549 8.633 1.00 73.24 C ATOM 893 CD2 LEU A 53 -11.120 -6.442 9.180 1.00 30.33 C ATOM 0 H LEU A 53 -10.661 -3.820 6.230 1.00 43.52 H new ATOM 0 HA LEU A 53 -11.971 -3.945 8.790 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -9.049 -3.953 7.997 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.630 -4.178 9.635 1.00 34.25 H new ATOM 0 HG LEU A 53 -10.247 -5.996 7.283 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -8.802 -7.618 8.449 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -7.911 -6.148 7.988 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -8.422 -6.386 9.676 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -11.190 -7.513 8.988 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -10.905 -6.276 10.236 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -12.066 -5.965 8.923 1.00 30.33 H new ATOM 904 N ASN A 54 -10.864 -1.153 7.765 1.00 23.44 N ATOM 905 CA ASN A 54 -10.656 0.291 7.933 1.00 34.54 C ATOM 906 C ASN A 54 -9.544 0.594 8.912 1.00 23.31 C ATOM 907 O ASN A 54 -9.774 0.920 10.076 1.00 53.04 O ATOM 908 CB ASN A 54 -11.931 1.050 8.305 1.00 0.13 C ATOM 909 CG ASN A 54 -11.746 2.567 8.259 1.00 2.32 C ATOM 910 OD1 ASN A 54 -11.006 3.054 7.285 1.00 41.33 O flip ATOM 911 ND2 ASN A 54 -12.307 3.299 9.076 1.00 61.11 N flip ATOM 0 H ASN A 54 -10.928 -1.421 6.783 1.00 23.44 H new ATOM 0 HA ASN A 54 -10.353 0.654 6.951 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -12.732 0.764 7.623 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -12.245 0.756 9.306 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -12.874 2.892 9.820 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -12.204 4.312 9.008 1.00 61.11 H new ATOM 918 N THR A 55 -8.359 0.384 8.479 1.00 45.02 N ATOM 919 CA THR A 55 -7.198 0.630 9.272 1.00 24.13 C ATOM 920 C THR A 55 -6.104 1.111 8.321 1.00 75.14 C ATOM 921 O THR A 55 -6.037 0.613 7.187 1.00 45.22 O ATOM 922 CB THR A 55 -6.772 -0.691 9.987 1.00 33.24 C ATOM 923 OG1 THR A 55 -7.908 -1.246 10.683 1.00 22.11 O ATOM 924 CG2 THR A 55 -5.663 -0.448 10.998 1.00 53.13 C ATOM 0 H THR A 55 -8.156 0.029 7.545 1.00 45.02 H new ATOM 0 HA THR A 55 -7.385 1.380 10.040 1.00 24.13 H new ATOM 0 HB THR A 55 -6.406 -1.379 9.224 1.00 33.24 H new ATOM 0 HG1 THR A 55 -7.597 -1.869 11.372 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.393 -1.390 11.475 1.00 53.13 H new ATOM 0 HG22 THR A 55 -4.791 -0.036 10.490 1.00 53.13 H new ATOM 0 HG23 THR A 55 -6.008 0.256 11.755 1.00 53.13 H new ATOM 932 N PRO A 56 -5.295 2.131 8.713 1.00 2.53 N ATOM 933 CA PRO A 56 -4.208 2.623 7.876 1.00 62.14 C ATOM 934 C PRO A 56 -3.230 1.515 7.560 1.00 22.43 C ATOM 935 O PRO A 56 -2.941 0.661 8.417 1.00 73.34 O ATOM 936 CB PRO A 56 -3.522 3.702 8.726 1.00 52.13 C ATOM 937 CG PRO A 56 -4.007 3.465 10.117 1.00 3.21 C ATOM 938 CD PRO A 56 -5.383 2.878 9.976 1.00 22.03 C ATOM 0 HA PRO A 56 -4.570 3.005 6.921 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -2.437 3.620 8.667 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -3.785 4.702 8.381 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -3.344 2.784 10.652 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -4.035 4.395 10.685 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -5.632 2.227 10.814 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -6.150 3.652 9.935 1.00 22.03 H new ATOM 946 N LEU A 57 -2.738 1.526 6.348 1.00 62.42 N ATOM 947 CA LEU A 57 -1.801 0.528 5.859 1.00 13.13 C ATOM 948 C LEU A 57 -0.593 0.427 6.756 1.00 71.12 C ATOM 949 O LEU A 57 -0.107 -0.654 7.011 1.00 53.41 O ATOM 950 CB LEU A 57 -1.350 0.832 4.427 1.00 34.12 C ATOM 951 CG LEU A 57 -2.397 0.737 3.303 1.00 42.20 C ATOM 952 CD1 LEU A 57 -3.471 1.816 3.401 1.00 35.04 C ATOM 953 CD2 LEU A 57 -1.701 0.810 1.977 1.00 13.21 C ATOM 0 H LEU A 57 -2.976 2.237 5.656 1.00 62.42 H new ATOM 0 HA LEU A 57 -2.327 -0.427 5.863 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -0.937 1.841 4.414 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -0.535 0.151 4.182 1.00 34.12 H new ATOM 0 HG LEU A 57 -2.912 -0.218 3.408 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -4.181 1.698 2.582 1.00 35.04 H new ATOM 0 HD12 LEU A 57 -3.995 1.722 4.352 1.00 35.04 H new ATOM 0 HD13 LEU A 57 -3.005 2.800 3.339 1.00 35.04 H new ATOM 0 HD21 LEU A 57 -2.437 0.743 1.176 1.00 13.21 H new ATOM 0 HD22 LEU A 57 -1.165 1.756 1.899 1.00 13.21 H new ATOM 0 HD23 LEU A 57 -0.995 -0.016 1.891 1.00 13.21 H new ATOM 964 N GLU A 58 -0.149 1.568 7.246 1.00 41.15 N ATOM 965 CA GLU A 58 0.995 1.660 8.154 1.00 25.13 C ATOM 966 C GLU A 58 0.772 0.852 9.431 1.00 23.31 C ATOM 967 O GLU A 58 1.713 0.336 10.015 1.00 41.22 O ATOM 968 CB GLU A 58 1.282 3.121 8.560 1.00 25.40 C ATOM 969 CG GLU A 58 1.277 4.131 7.425 1.00 63.30 C ATOM 970 CD GLU A 58 -0.099 4.659 7.116 1.00 34.03 C ATOM 971 OE1 GLU A 58 -0.847 4.009 6.371 1.00 71.30 O ATOM 972 OE2 GLU A 58 -0.449 5.740 7.622 1.00 53.22 O ATOM 0 H GLU A 58 -0.571 2.470 7.027 1.00 41.15 H new ATOM 0 HA GLU A 58 1.845 1.253 7.606 1.00 25.13 H new ATOM 0 HB2 GLU A 58 0.540 3.427 9.298 1.00 25.40 H new ATOM 0 HB3 GLU A 58 2.254 3.158 9.051 1.00 25.40 H new ATOM 0 HG2 GLU A 58 1.931 4.964 7.684 1.00 63.30 H new ATOM 0 HG3 GLU A 58 1.692 3.667 6.530 1.00 63.30 H new ATOM 979 N ASP A 59 -0.454 0.817 9.903 1.00 34.01 N ATOM 980 CA ASP A 59 -0.772 0.072 11.112 1.00 63.41 C ATOM 981 C ASP A 59 -0.748 -1.429 10.839 1.00 42.14 C ATOM 982 O ASP A 59 -0.254 -2.224 11.644 1.00 72.41 O ATOM 983 CB ASP A 59 -2.123 0.500 11.691 1.00 22.41 C ATOM 984 CG ASP A 59 -2.346 -0.041 13.086 1.00 52.54 C ATOM 985 OD1 ASP A 59 -1.656 0.425 14.019 1.00 60.45 O ATOM 986 OD2 ASP A 59 -3.234 -0.895 13.300 1.00 14.52 O ATOM 0 H ASP A 59 -1.248 1.292 9.474 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.008 0.298 11.856 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.178 1.588 11.712 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -2.923 0.153 11.037 1.00 22.41 H new ATOM 991 N ILE A 60 -1.297 -1.792 9.694 1.00 25.13 N ATOM 992 CA ILE A 60 -1.426 -3.187 9.276 1.00 73.13 C ATOM 993 C ILE A 60 -0.078 -3.793 8.866 1.00 51.12 C ATOM 994 O ILE A 60 0.319 -4.872 9.340 1.00 44.15 O ATOM 995 CB ILE A 60 -2.457 -3.353 8.135 1.00 50.03 C ATOM 996 CG1 ILE A 60 -3.795 -2.735 8.552 1.00 75.01 C ATOM 997 CG2 ILE A 60 -2.639 -4.831 7.802 1.00 14.41 C ATOM 998 CD1 ILE A 60 -4.882 -2.854 7.519 1.00 50.54 C ATOM 0 H ILE A 60 -1.671 -1.126 9.018 1.00 25.13 H new ATOM 0 HA ILE A 60 -1.790 -3.734 10.146 1.00 73.13 H new ATOM 0 HB ILE A 60 -2.091 -2.839 7.246 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.131 -3.213 9.472 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -3.639 -1.680 8.779 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -3.367 -4.936 6.998 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -1.685 -5.253 7.485 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -2.995 -5.362 8.685 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -5.794 -2.391 7.896 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -4.571 -2.351 6.604 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -5.070 -3.907 7.308 1.00 50.54 H new ATOM 1010 N PHE A 61 0.594 -3.106 7.963 1.00 35.15 N ATOM 1011 CA PHE A 61 1.861 -3.543 7.454 1.00 22.52 C ATOM 1012 C PHE A 61 2.949 -2.603 7.918 1.00 61.31 C ATOM 1013 O PHE A 61 2.773 -1.385 7.950 1.00 64.35 O ATOM 1014 CB PHE A 61 1.845 -3.599 5.892 1.00 0.12 C ATOM 1015 CG PHE A 61 0.949 -4.653 5.305 1.00 21.33 C ATOM 1016 CD1 PHE A 61 -0.374 -4.372 5.009 1.00 50.52 C ATOM 1017 CD2 PHE A 61 1.436 -5.921 5.039 1.00 71.31 C ATOM 1018 CE1 PHE A 61 -1.195 -5.337 4.462 1.00 53.10 C ATOM 1019 CE2 PHE A 61 0.618 -6.890 4.490 1.00 50.13 C ATOM 1020 CZ PHE A 61 -0.699 -6.599 4.202 1.00 22.32 C ATOM 0 H PHE A 61 0.267 -2.225 7.565 1.00 35.15 H new ATOM 0 HA PHE A 61 2.057 -4.546 7.833 1.00 22.52 H new ATOM 0 HB2 PHE A 61 1.534 -2.626 5.511 1.00 0.12 H new ATOM 0 HB3 PHE A 61 2.862 -3.770 5.539 1.00 0.12 H new ATOM 0 HD1 PHE A 61 -0.768 -3.386 5.208 1.00 50.52 H new ATOM 0 HD2 PHE A 61 2.466 -6.156 5.263 1.00 71.31 H new ATOM 0 HE1 PHE A 61 -2.226 -5.105 4.237 1.00 53.10 H new ATOM 0 HE2 PHE A 61 1.010 -7.875 4.286 1.00 50.13 H new ATOM 0 HZ PHE A 61 -1.340 -7.356 3.775 1.00 22.32 H new ATOM 1030 N GLN A 62 4.062 -3.160 8.262 1.00 72.24 N ATOM 1031 CA GLN A 62 5.202 -2.405 8.680 1.00 2.15 C ATOM 1032 C GLN A 62 6.283 -2.593 7.669 1.00 41.21 C ATOM 1033 O GLN A 62 6.637 -3.721 7.323 1.00 54.12 O ATOM 1034 CB GLN A 62 5.706 -2.815 10.090 1.00 43.12 C ATOM 1035 CG GLN A 62 4.858 -2.324 11.279 1.00 54.21 C ATOM 1036 CD GLN A 62 3.439 -2.865 11.316 1.00 62.30 C ATOM 1037 OE1 GLN A 62 3.164 -3.971 10.866 1.00 51.34 O ATOM 1038 NE2 GLN A 62 2.543 -2.105 11.871 1.00 41.41 N ATOM 0 H GLN A 62 4.210 -4.169 8.262 1.00 72.24 H new ATOM 0 HA GLN A 62 4.914 -1.356 8.751 1.00 2.15 H new ATOM 0 HB2 GLN A 62 5.760 -3.903 10.133 1.00 43.12 H new ATOM 0 HB3 GLN A 62 6.722 -2.440 10.214 1.00 43.12 H new ATOM 0 HG2 GLN A 62 5.362 -2.601 12.205 1.00 54.21 H new ATOM 0 HG3 GLN A 62 4.816 -1.235 11.252 1.00 54.21 H new ATOM 0 HE21 GLN A 62 2.806 -1.189 12.236 1.00 41.41 H new ATOM 0 HE22 GLN A 62 1.577 -2.424 11.942 1.00 41.41 H new ATOM 1047 N TRP A 63 6.779 -1.527 7.165 1.00 13.44 N ATOM 1048 CA TRP A 63 7.808 -1.593 6.183 1.00 61.35 C ATOM 1049 C TRP A 63 9.084 -1.015 6.691 1.00 61.52 C ATOM 1050 O TRP A 63 9.146 0.150 7.093 1.00 24.43 O ATOM 1051 CB TRP A 63 7.368 -0.985 4.854 1.00 14.01 C ATOM 1052 CG TRP A 63 6.617 0.313 4.959 1.00 34.23 C ATOM 1053 CD1 TRP A 63 7.129 1.573 4.980 1.00 3.21 C ATOM 1054 CD2 TRP A 63 5.196 0.457 5.026 1.00 53.32 C ATOM 1055 NE1 TRP A 63 6.109 2.490 5.055 1.00 11.14 N ATOM 1056 CE2 TRP A 63 4.915 1.826 5.080 1.00 74.31 C ATOM 1057 CE3 TRP A 63 4.133 -0.453 5.040 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 3.618 2.311 5.143 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 2.850 0.030 5.099 1.00 3.40 C ATOM 1060 CH2 TRP A 63 2.600 1.395 5.149 1.00 31.53 C ATOM 0 H TRP A 63 6.488 -0.582 7.417 1.00 13.44 H new ATOM 0 HA TRP A 63 8.004 -2.646 5.981 1.00 61.35 H new ATOM 0 HB2 TRP A 63 8.252 -0.826 4.236 1.00 14.01 H new ATOM 0 HB3 TRP A 63 6.740 -1.708 4.333 1.00 14.01 H new ATOM 0 HD1 TRP A 63 8.181 1.816 4.943 1.00 3.21 H new ATOM 0 HE1 TRP A 63 6.224 3.503 5.087 1.00 11.14 H new ATOM 0 HE3 TRP A 63 4.319 -1.516 5.005 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 3.418 3.371 5.186 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 2.021 -0.663 5.107 1.00 3.40 H new ATOM 0 HH2 TRP A 63 1.578 1.743 5.194 1.00 31.53 H new ATOM 1071 N GLN A 64 10.091 -1.833 6.692 1.00 35.50 N ATOM 1072 CA GLN A 64 11.390 -1.469 7.181 1.00 11.44 C ATOM 1073 C GLN A 64 12.355 -1.410 5.999 1.00 30.22 C ATOM 1074 O GLN A 64 12.883 -2.439 5.592 1.00 33.31 O ATOM 1075 CB GLN A 64 11.891 -2.533 8.168 1.00 44.22 C ATOM 1076 CG GLN A 64 10.950 -2.847 9.325 1.00 32.13 C ATOM 1077 CD GLN A 64 10.728 -1.680 10.256 1.00 24.43 C ATOM 1078 OE1 GLN A 64 9.817 -0.889 10.075 1.00 13.50 O ATOM 1079 NE2 GLN A 64 11.558 -1.564 11.244 1.00 53.21 N ATOM 0 H GLN A 64 10.034 -2.791 6.347 1.00 35.50 H new ATOM 0 HA GLN A 64 11.334 -0.503 7.683 1.00 11.44 H new ATOM 0 HB2 GLN A 64 12.082 -3.454 7.617 1.00 44.22 H new ATOM 0 HB3 GLN A 64 12.846 -2.203 8.578 1.00 44.22 H new ATOM 0 HG2 GLN A 64 9.989 -3.169 8.924 1.00 32.13 H new ATOM 0 HG3 GLN A 64 11.354 -3.684 9.895 1.00 32.13 H new ATOM 0 HE21 GLN A 64 12.308 -2.245 11.363 1.00 53.21 H new ATOM 0 HE22 GLN A 64 11.462 -0.791 11.903 1.00 53.21 H new ATOM 1088 N PRO A 65 12.507 -0.252 5.352 1.00 63.05 N ATOM 1089 CA PRO A 65 13.449 -0.096 4.241 1.00 13.14 C ATOM 1090 C PRO A 65 14.875 0.090 4.752 1.00 44.11 C ATOM 1091 O PRO A 65 15.852 -0.303 4.103 1.00 4.41 O ATOM 1092 CB PRO A 65 12.965 1.199 3.549 1.00 11.15 C ATOM 1093 CG PRO A 65 11.658 1.528 4.189 1.00 34.32 C ATOM 1094 CD PRO A 65 11.739 0.972 5.572 1.00 62.43 C ATOM 0 HA PRO A 65 13.471 -0.965 3.583 1.00 13.14 H new ATOM 0 HB2 PRO A 65 13.683 2.008 3.684 1.00 11.15 H new ATOM 0 HB3 PRO A 65 12.850 1.051 2.475 1.00 11.15 H new ATOM 0 HG2 PRO A 65 11.491 2.605 4.208 1.00 34.32 H new ATOM 0 HG3 PRO A 65 10.829 1.086 3.637 1.00 34.32 H new ATOM 0 HD2 PRO A 65 12.241 1.653 6.259 1.00 62.43 H new ATOM 0 HD3 PRO A 65 10.753 0.768 5.990 1.00 62.43 H new ATOM 1102 N GLU A 66 14.966 0.670 5.920 1.00 22.55 N ATOM 1103 CA GLU A 66 16.220 0.989 6.542 1.00 60.44 C ATOM 1104 C GLU A 66 16.660 -0.180 7.401 1.00 3.22 C ATOM 1105 O GLU A 66 17.448 -1.012 6.929 1.00 11.44 O ATOM 1106 CB GLU A 66 16.071 2.259 7.386 1.00 14.51 C ATOM 1107 CG GLU A 66 15.533 3.467 6.612 1.00 33.32 C ATOM 1108 CD GLU A 66 16.433 3.919 5.487 1.00 75.24 C ATOM 1109 OE1 GLU A 66 16.295 3.432 4.356 1.00 31.01 O ATOM 1110 OE2 GLU A 66 17.294 4.794 5.713 1.00 24.43 O ATOM 1111 OXT GLU A 66 16.164 -0.320 8.534 1.00 0.00 O ATOM 0 H GLU A 66 14.153 0.938 6.475 1.00 22.55 H new ATOM 0 HA GLU A 66 16.978 1.172 5.780 1.00 60.44 H new ATOM 0 HB2 GLU A 66 15.403 2.050 8.222 1.00 14.51 H new ATOM 0 HB3 GLU A 66 17.042 2.516 7.810 1.00 14.51 H new ATOM 0 HG2 GLU A 66 14.553 3.218 6.204 1.00 33.32 H new ATOM 0 HG3 GLU A 66 15.389 4.296 7.305 1.00 33.32 H new TER 1118 GLU A 66 ATOM 1119 N MET B 67 -11.890 1.648 -8.608 1.00 4.52 N ATOM 1120 CA MET B 67 -11.407 2.842 -9.299 1.00 15.43 C ATOM 1121 C MET B 67 -10.261 3.430 -8.468 1.00 54.41 C ATOM 1122 O MET B 67 -10.386 3.576 -7.251 1.00 33.23 O ATOM 1123 CB MET B 67 -12.575 3.846 -9.427 1.00 32.24 C ATOM 1124 CG MET B 67 -12.414 4.932 -10.493 1.00 0.23 C ATOM 1125 SD MET B 67 -11.104 6.127 -10.186 1.00 54.32 S ATOM 1126 CE MET B 67 -11.251 7.128 -11.666 1.00 74.51 C ATOM 0 HA MET B 67 -11.043 2.610 -10.300 1.00 15.43 H new ATOM 0 HB2 MET B 67 -13.486 3.287 -9.641 1.00 32.24 H new ATOM 0 HB3 MET B 67 -12.718 4.331 -8.461 1.00 32.24 H new ATOM 0 HG2 MET B 67 -12.226 4.450 -11.452 1.00 0.23 H new ATOM 0 HG3 MET B 67 -13.358 5.469 -10.586 1.00 0.23 H new ATOM 0 HE1 MET B 67 -10.507 7.924 -11.642 1.00 74.51 H new ATOM 0 HE2 MET B 67 -11.087 6.504 -12.545 1.00 74.51 H new ATOM 0 HE3 MET B 67 -12.249 7.565 -11.712 1.00 74.51 H new ATOM 1138 N ILE B 68 -9.143 3.719 -9.101 1.00 22.43 N ATOM 1139 CA ILE B 68 -7.976 4.248 -8.400 1.00 32.41 C ATOM 1140 C ILE B 68 -7.664 5.671 -8.877 1.00 45.13 C ATOM 1141 O ILE B 68 -7.664 5.948 -10.085 1.00 32.11 O ATOM 1142 CB ILE B 68 -6.716 3.334 -8.619 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -6.979 1.894 -8.134 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -5.466 3.906 -7.936 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -7.296 1.770 -6.653 1.00 54.01 C ATOM 0 H ILE B 68 -9.011 3.598 -10.105 1.00 22.43 H new ATOM 0 HA ILE B 68 -8.212 4.266 -7.336 1.00 32.41 H new ATOM 0 HB ILE B 68 -6.528 3.310 -9.692 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -7.809 1.479 -8.705 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -6.103 1.285 -8.356 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -4.619 3.243 -8.113 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -5.247 4.892 -8.346 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -5.643 3.990 -6.864 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -7.466 0.723 -6.404 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -6.458 2.151 -6.069 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -8.191 2.348 -6.423 1.00 54.01 H new ATOM 1157 N ILE B 69 -7.400 6.550 -7.942 1.00 31.31 N ATOM 1158 CA ILE B 69 -7.050 7.927 -8.214 1.00 25.12 C ATOM 1159 C ILE B 69 -5.629 8.110 -7.704 1.00 13.31 C ATOM 1160 O ILE B 69 -5.324 7.715 -6.579 1.00 33.20 O ATOM 1161 CB ILE B 69 -7.975 8.974 -7.469 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -9.482 8.755 -7.729 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -7.594 10.399 -7.848 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -10.105 7.620 -6.941 1.00 2.41 C ATOM 0 H ILE B 69 -7.422 6.325 -6.947 1.00 31.31 H new ATOM 0 HA ILE B 69 -7.166 8.110 -9.282 1.00 25.12 H new ATOM 0 HB ILE B 69 -7.806 8.815 -6.404 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -10.014 9.677 -7.494 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -9.629 8.564 -8.792 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -8.243 11.101 -7.324 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -6.557 10.585 -7.568 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -7.709 10.532 -8.924 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -11.164 7.543 -7.189 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -9.604 6.685 -7.192 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -9.996 7.815 -5.874 1.00 2.41 H new ATOM 1176 N ASN B 70 -4.765 8.644 -8.505 1.00 20.22 N ATOM 1177 CA ASN B 70 -3.387 8.832 -8.107 1.00 24.23 C ATOM 1178 C ASN B 70 -3.144 10.291 -7.748 1.00 32.00 C ATOM 1179 O ASN B 70 -3.450 11.191 -8.536 1.00 60.31 O ATOM 1180 CB ASN B 70 -2.470 8.378 -9.249 1.00 41.35 C ATOM 1181 CG ASN B 70 -1.000 8.624 -8.992 1.00 44.33 C ATOM 1182 OD1 ASN B 70 -0.553 8.682 -7.862 1.00 51.44 O ATOM 1183 ND2 ASN B 70 -0.241 8.756 -10.046 1.00 33.01 N ATOM 0 H ASN B 70 -4.981 8.964 -9.449 1.00 20.22 H new ATOM 0 HA ASN B 70 -3.167 8.232 -7.224 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -2.625 7.313 -9.424 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -2.760 8.897 -10.163 1.00 41.35 H new ATOM 0 HD21 ASN B 70 0.761 8.913 -9.937 1.00 33.01 H new ATOM 0 HD22 ASN B 70 -0.650 8.702 -10.979 1.00 33.01 H new ATOM 1190 N ASN B 71 -2.594 10.530 -6.572 1.00 65.43 N ATOM 1191 CA ASN B 71 -2.373 11.890 -6.094 1.00 54.20 C ATOM 1192 C ASN B 71 -0.892 12.116 -5.860 1.00 74.31 C ATOM 1193 O ASN B 71 -0.516 13.115 -5.270 1.00 70.34 O ATOM 1194 CB ASN B 71 -3.101 12.148 -4.758 1.00 72.22 C ATOM 1195 CG ASN B 71 -4.586 11.818 -4.752 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -5.278 11.935 -5.759 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -5.082 11.394 -3.612 1.00 62.53 N ATOM 0 H ASN B 71 -2.290 9.801 -5.926 1.00 65.43 H new ATOM 0 HA ASN B 71 -2.761 12.567 -6.855 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -2.613 11.563 -3.978 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -2.978 13.198 -4.493 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -6.070 11.150 -3.545 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -4.479 11.308 -2.794 1.00 62.53 H new ATOM 1204 N LEU B 72 -0.054 11.196 -6.360 1.00 31.42 N ATOM 1205 CA LEU B 72 1.421 11.227 -6.164 1.00 41.12 C ATOM 1206 C LEU B 72 1.995 12.621 -6.481 1.00 32.41 C ATOM 1207 O LEU B 72 2.837 13.142 -5.739 1.00 15.34 O ATOM 1208 CB LEU B 72 2.093 10.108 -7.027 1.00 22.14 C ATOM 1209 CG LEU B 72 3.607 9.792 -6.830 1.00 2.34 C ATOM 1210 CD1 LEU B 72 4.523 10.858 -7.418 1.00 11.20 C ATOM 1211 CD2 LEU B 72 3.920 9.578 -5.358 1.00 33.32 C ATOM 0 H LEU B 72 -0.372 10.402 -6.916 1.00 31.42 H new ATOM 0 HA LEU B 72 1.644 11.028 -5.116 1.00 41.12 H new ATOM 0 HB2 LEU B 72 1.541 9.185 -6.852 1.00 22.14 H new ATOM 0 HB3 LEU B 72 1.948 10.372 -8.075 1.00 22.14 H new ATOM 0 HG LEU B 72 3.805 8.872 -7.381 1.00 2.34 H new ATOM 0 HD11 LEU B 72 5.563 10.579 -7.248 1.00 11.20 H new ATOM 0 HD12 LEU B 72 4.341 10.943 -8.489 1.00 11.20 H new ATOM 0 HD13 LEU B 72 4.321 11.816 -6.938 1.00 11.20 H new ATOM 0 HD21 LEU B 72 4.981 9.359 -5.240 1.00 33.32 H new ATOM 0 HD22 LEU B 72 3.671 10.480 -4.798 1.00 33.32 H new ATOM 0 HD23 LEU B 72 3.332 8.742 -4.979 1.00 33.32 H new ATOM 1223 N LYS B 73 1.502 13.222 -7.552 1.00 14.34 N ATOM 1224 CA LYS B 73 1.902 14.562 -7.965 1.00 42.10 C ATOM 1225 C LYS B 73 1.722 15.599 -6.831 1.00 53.11 C ATOM 1226 O LYS B 73 2.631 16.393 -6.567 1.00 74.22 O ATOM 1227 CB LYS B 73 1.159 14.973 -9.254 1.00 5.41 C ATOM 1228 CG LYS B 73 -0.351 14.816 -9.172 1.00 35.52 C ATOM 1229 CD LYS B 73 -1.035 15.085 -10.498 1.00 25.45 C ATOM 1230 CE LYS B 73 -2.526 14.821 -10.381 1.00 12.21 C ATOM 1231 NZ LYS B 73 -3.236 14.994 -11.661 1.00 61.12 N ATOM 0 H LYS B 73 0.808 12.793 -8.165 1.00 14.34 H new ATOM 0 HA LYS B 73 2.969 14.541 -8.187 1.00 42.10 H new ATOM 0 HB2 LYS B 73 1.394 16.013 -9.481 1.00 5.41 H new ATOM 0 HB3 LYS B 73 1.532 14.373 -10.084 1.00 5.41 H new ATOM 0 HG2 LYS B 73 -0.591 13.805 -8.842 1.00 35.52 H new ATOM 0 HG3 LYS B 73 -0.744 15.499 -8.419 1.00 35.52 H new ATOM 0 HD2 LYS B 73 -0.864 16.118 -10.801 1.00 25.45 H new ATOM 0 HD3 LYS B 73 -0.605 14.450 -11.273 1.00 25.45 H new ATOM 0 HE2 LYS B 73 -2.684 13.806 -10.017 1.00 12.21 H new ATOM 0 HE3 LYS B 73 -2.953 15.496 -9.639 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 -4.249 14.802 -11.525 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 -3.111 15.970 -11.998 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 -2.850 14.332 -12.364 1.00 61.12 H new ATOM 1245 N LEU B 74 0.592 15.524 -6.125 1.00 3.54 N ATOM 1246 CA LEU B 74 0.280 16.429 -5.010 1.00 24.22 C ATOM 1247 C LEU B 74 1.235 16.229 -3.867 1.00 33.32 C ATOM 1248 O LEU B 74 1.698 17.191 -3.270 1.00 35.35 O ATOM 1249 CB LEU B 74 -1.165 16.239 -4.480 1.00 15.15 C ATOM 1250 CG LEU B 74 -2.324 16.767 -5.333 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -2.160 18.242 -5.590 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -2.466 16.007 -6.628 1.00 34.11 C ATOM 0 H LEU B 74 -0.136 14.833 -6.308 1.00 3.54 H new ATOM 0 HA LEU B 74 0.377 17.439 -5.408 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -1.325 15.172 -4.324 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.227 16.717 -3.502 1.00 15.15 H new ATOM 0 HG LEU B 74 -3.244 16.611 -4.769 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -2.991 18.600 -6.197 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -2.147 18.777 -4.641 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -1.223 18.417 -6.119 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -3.299 16.415 -7.200 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -1.548 16.101 -7.208 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -2.654 14.955 -6.414 1.00 34.11 H new ATOM 1264 N ILE B 75 1.559 14.981 -3.595 1.00 72.34 N ATOM 1265 CA ILE B 75 2.426 14.623 -2.483 1.00 55.53 C ATOM 1266 C ILE B 75 3.811 15.240 -2.649 1.00 3.21 C ATOM 1267 O ILE B 75 4.389 15.750 -1.681 1.00 40.20 O ATOM 1268 CB ILE B 75 2.503 13.059 -2.253 1.00 33.31 C ATOM 1269 CG1 ILE B 75 1.245 12.521 -1.528 1.00 5.53 C ATOM 1270 CG2 ILE B 75 3.750 12.653 -1.469 1.00 15.31 C ATOM 1271 CD1 ILE B 75 -0.074 12.740 -2.229 1.00 1.24 C ATOM 0 H ILE B 75 1.230 14.183 -4.138 1.00 72.34 H new ATOM 0 HA ILE B 75 1.979 15.041 -1.581 1.00 55.53 H new ATOM 0 HB ILE B 75 2.556 12.613 -3.246 1.00 33.31 H new ATOM 0 HG12 ILE B 75 1.374 11.451 -1.367 1.00 5.53 H new ATOM 0 HG13 ILE B 75 1.191 12.987 -0.544 1.00 5.53 H new ATOM 0 HG21 ILE B 75 3.760 11.571 -1.336 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.641 12.959 -2.018 1.00 15.31 H new ATOM 0 HG23 ILE B 75 3.741 13.139 -0.493 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -0.880 12.321 -1.627 1.00 1.24 H new ATOM 0 HD12 ILE B 75 -0.240 13.809 -2.366 1.00 1.24 H new ATOM 0 HD13 ILE B 75 -0.055 12.248 -3.202 1.00 1.24 H new ATOM 1283 N ARG B 76 4.306 15.251 -3.880 1.00 23.44 N ATOM 1284 CA ARG B 76 5.621 15.833 -4.168 1.00 2.23 C ATOM 1285 C ARG B 76 5.585 17.315 -3.853 1.00 61.23 C ATOM 1286 O ARG B 76 6.459 17.842 -3.185 1.00 0.10 O ATOM 1287 CB ARG B 76 5.924 15.760 -5.662 1.00 24.15 C ATOM 1288 CG ARG B 76 5.708 14.434 -6.345 1.00 71.12 C ATOM 1289 CD ARG B 76 5.795 14.638 -7.849 1.00 32.20 C ATOM 1290 NE ARG B 76 4.881 15.735 -8.278 1.00 64.13 N ATOM 1291 CZ ARG B 76 4.841 16.298 -9.492 1.00 4.20 C ATOM 1292 NH1 ARG B 76 5.517 15.775 -10.493 1.00 64.25 N ATOM 1293 NH2 ARG B 76 4.060 17.349 -9.715 1.00 51.23 N ATOM 0 H ARG B 76 3.825 14.868 -4.693 1.00 23.44 H new ATOM 0 HA ARG B 76 6.359 15.288 -3.580 1.00 2.23 H new ATOM 0 HB2 ARG B 76 5.309 16.505 -6.168 1.00 24.15 H new ATOM 0 HB3 ARG B 76 6.964 16.051 -5.810 1.00 24.15 H new ATOM 0 HG2 ARG B 76 6.458 13.714 -6.018 1.00 71.12 H new ATOM 0 HG3 ARG B 76 4.734 14.025 -6.075 1.00 71.12 H new ATOM 0 HD2 ARG B 76 6.820 14.879 -8.131 1.00 32.20 H new ATOM 0 HD3 ARG B 76 5.531 13.714 -8.364 1.00 32.20 H new ATOM 0 HE ARG B 76 4.225 16.090 -7.582 1.00 64.13 H new ATOM 0 HH11 ARG B 76 6.076 14.935 -10.347 1.00 64.25 H new ATOM 0 HH12 ARG B 76 5.481 16.210 -11.415 1.00 64.25 H new ATOM 0 HH21 ARG B 76 3.489 17.729 -8.960 1.00 51.23 H new ATOM 0 HH22 ARG B 76 4.032 17.776 -10.641 1.00 51.23 H new ATOM 1307 N GLU B 77 4.537 17.958 -4.348 1.00 3.43 N ATOM 1308 CA GLU B 77 4.350 19.391 -4.268 1.00 32.25 C ATOM 1309 C GLU B 77 4.021 19.915 -2.879 1.00 23.22 C ATOM 1310 O GLU B 77 4.317 21.074 -2.570 1.00 24.24 O ATOM 1311 CB GLU B 77 3.346 19.829 -5.302 1.00 73.21 C ATOM 1312 CG GLU B 77 3.837 19.534 -6.699 1.00 31.54 C ATOM 1313 CD GLU B 77 2.850 19.873 -7.754 1.00 75.21 C ATOM 1314 OE1 GLU B 77 2.583 21.085 -7.982 1.00 73.43 O ATOM 1315 OE2 GLU B 77 2.322 18.950 -8.392 1.00 52.20 O ATOM 0 H GLU B 77 3.775 17.480 -4.829 1.00 3.43 H new ATOM 0 HA GLU B 77 5.316 19.846 -4.488 1.00 32.25 H new ATOM 0 HB2 GLU B 77 2.398 19.319 -5.131 1.00 73.21 H new ATOM 0 HB3 GLU B 77 3.156 20.897 -5.199 1.00 73.21 H new ATOM 0 HG2 GLU B 77 4.756 20.092 -6.879 1.00 31.54 H new ATOM 0 HG3 GLU B 77 4.087 18.476 -6.772 1.00 31.54 H new ATOM 1322 N LYS B 78 3.278 19.141 -2.104 1.00 12.34 N ATOM 1323 CA LYS B 78 3.023 19.498 -0.712 1.00 0.30 C ATOM 1324 C LYS B 78 4.291 19.422 0.155 1.00 41.03 C ATOM 1325 O LYS B 78 4.424 20.141 1.153 1.00 70.21 O ATOM 1326 CB LYS B 78 1.828 18.736 -0.169 1.00 31.15 C ATOM 1327 CG LYS B 78 0.555 19.133 -0.918 1.00 63.14 C ATOM 1328 CD LYS B 78 -0.661 18.343 -0.507 1.00 63.03 C ATOM 1329 CE LYS B 78 -1.009 18.531 0.951 1.00 13.30 C ATOM 1330 NZ LYS B 78 -2.249 17.816 1.311 1.00 22.43 N ATOM 0 H LYS B 78 2.844 18.270 -2.408 1.00 12.34 H new ATOM 0 HA LYS B 78 2.743 20.551 -0.669 1.00 0.30 H new ATOM 0 HB2 LYS B 78 1.997 17.664 -0.269 1.00 31.15 H new ATOM 0 HB3 LYS B 78 1.710 18.942 0.895 1.00 31.15 H new ATOM 0 HG2 LYS B 78 0.362 20.193 -0.752 1.00 63.14 H new ATOM 0 HG3 LYS B 78 0.718 19.002 -1.988 1.00 63.14 H new ATOM 0 HD2 LYS B 78 -1.510 18.643 -1.121 1.00 63.03 H new ATOM 0 HD3 LYS B 78 -0.485 17.285 -0.702 1.00 63.03 H new ATOM 0 HE2 LYS B 78 -0.188 18.171 1.571 1.00 13.30 H new ATOM 0 HE3 LYS B 78 -1.126 19.594 1.163 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 -2.457 17.967 2.319 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -3.037 18.177 0.737 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 -2.128 16.799 1.132 1.00 22.43 H new ATOM 1344 N LYS B 79 5.217 18.580 -0.248 1.00 11.23 N ATOM 1345 CA LYS B 79 6.579 18.600 0.296 1.00 71.54 C ATOM 1346 C LYS B 79 7.326 19.550 -0.645 1.00 62.41 C ATOM 1347 O LYS B 79 6.667 20.228 -1.420 1.00 22.21 O ATOM 1348 CB LYS B 79 7.186 17.184 0.268 1.00 24.24 C ATOM 1349 CG LYS B 79 6.420 16.160 1.115 1.00 24.13 C ATOM 1350 CD LYS B 79 6.434 16.528 2.597 1.00 4.22 C ATOM 1351 CE LYS B 79 5.622 15.549 3.451 1.00 44.25 C ATOM 1352 NZ LYS B 79 4.169 15.619 3.189 1.00 54.41 N ATOM 0 H LYS B 79 5.060 17.863 -0.956 1.00 11.23 H new ATOM 0 HA LYS B 79 6.628 18.924 1.336 1.00 71.54 H new ATOM 0 HB2 LYS B 79 7.219 16.834 -0.764 1.00 24.24 H new ATOM 0 HB3 LYS B 79 8.216 17.234 0.621 1.00 24.24 H new ATOM 0 HG2 LYS B 79 5.389 16.097 0.766 1.00 24.13 H new ATOM 0 HG3 LYS B 79 6.863 15.173 0.981 1.00 24.13 H new ATOM 0 HD2 LYS B 79 7.464 16.549 2.953 1.00 4.22 H new ATOM 0 HD3 LYS B 79 6.033 17.534 2.722 1.00 4.22 H new ATOM 0 HE2 LYS B 79 5.971 14.534 3.261 1.00 44.25 H new ATOM 0 HE3 LYS B 79 5.806 15.757 4.505 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 3.666 14.997 3.854 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 3.840 16.598 3.314 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 3.977 15.312 2.214 1.00 54.41 H new ATOM 1366 N LYS B 80 8.615 19.709 -0.627 1.00 71.43 N ATOM 1367 CA LYS B 80 9.194 20.531 -1.664 1.00 32.42 C ATOM 1368 C LYS B 80 10.384 19.802 -2.257 1.00 13.24 C ATOM 1369 O LYS B 80 11.539 20.237 -2.176 1.00 5.54 O ATOM 1370 CB LYS B 80 9.540 21.950 -1.135 1.00 73.24 C ATOM 1371 CG LYS B 80 10.423 21.977 0.107 1.00 40.21 C ATOM 1372 CD LYS B 80 10.577 23.386 0.650 1.00 43.22 C ATOM 1373 CE LYS B 80 11.466 23.414 1.887 1.00 70.42 C ATOM 1374 NZ LYS B 80 11.001 22.473 2.928 1.00 23.43 N ATOM 0 H LYS B 80 9.263 19.308 0.051 1.00 71.43 H new ATOM 0 HA LYS B 80 8.469 20.694 -2.461 1.00 32.42 H new ATOM 0 HB2 LYS B 80 10.039 22.506 -1.929 1.00 73.24 H new ATOM 0 HB3 LYS B 80 8.611 22.475 -0.913 1.00 73.24 H new ATOM 0 HG2 LYS B 80 9.992 21.335 0.875 1.00 40.21 H new ATOM 0 HG3 LYS B 80 11.405 21.570 -0.134 1.00 40.21 H new ATOM 0 HD2 LYS B 80 11.003 24.029 -0.120 1.00 43.22 H new ATOM 0 HD3 LYS B 80 9.596 23.791 0.897 1.00 43.22 H new ATOM 0 HE2 LYS B 80 12.488 23.164 1.604 1.00 70.42 H new ATOM 0 HE3 LYS B 80 11.486 24.424 2.295 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 11.489 22.677 3.823 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 9.975 22.581 3.061 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 11.211 21.498 2.633 1.00 23.43 H new ATOM 1388 N ILE B 81 10.096 18.644 -2.779 1.00 13.13 N ATOM 1389 CA ILE B 81 11.099 17.786 -3.339 1.00 43.54 C ATOM 1390 C ILE B 81 10.765 17.498 -4.799 1.00 51.30 C ATOM 1391 O ILE B 81 9.602 17.246 -5.145 1.00 65.41 O ATOM 1392 CB ILE B 81 11.207 16.452 -2.529 1.00 70.43 C ATOM 1393 CG1 ILE B 81 11.526 16.751 -1.054 1.00 24.32 C ATOM 1394 CG2 ILE B 81 12.276 15.540 -3.118 1.00 62.43 C ATOM 1395 CD1 ILE B 81 11.648 15.523 -0.178 1.00 1.24 C ATOM 0 H ILE B 81 9.150 18.266 -2.828 1.00 13.13 H new ATOM 0 HA ILE B 81 12.064 18.289 -3.283 1.00 43.54 H new ATOM 0 HB ILE B 81 10.247 15.939 -2.591 1.00 70.43 H new ATOM 0 HG12 ILE B 81 12.459 17.312 -1.004 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.745 17.394 -0.649 1.00 24.32 H new ATOM 0 HG21 ILE B 81 12.330 14.620 -2.536 1.00 62.43 H new ATOM 0 HG22 ILE B 81 12.022 15.302 -4.151 1.00 62.43 H new ATOM 0 HG23 ILE B 81 13.241 16.045 -3.089 1.00 62.43 H new ATOM 0 HD11 ILE B 81 11.874 15.826 0.844 1.00 1.24 H new ATOM 0 HD12 ILE B 81 10.709 14.970 -0.193 1.00 1.24 H new ATOM 0 HD13 ILE B 81 12.450 14.887 -0.553 1.00 1.24 H new ATOM 1407 N SER B 82 11.772 17.549 -5.641 1.00 2.42 N ATOM 1408 CA SER B 82 11.625 17.285 -7.046 1.00 41.31 C ATOM 1409 C SER B 82 11.558 15.762 -7.263 1.00 13.21 C ATOM 1410 O SER B 82 12.084 14.990 -6.444 1.00 35.13 O ATOM 1411 CB SER B 82 12.819 17.888 -7.779 1.00 43.33 C ATOM 1412 OG SER B 82 12.983 19.269 -7.442 1.00 71.34 O ATOM 0 H SER B 82 12.726 17.778 -5.362 1.00 2.42 H new ATOM 0 HA SER B 82 10.709 17.731 -7.434 1.00 41.31 H new ATOM 0 HB2 SER B 82 13.724 17.337 -7.522 1.00 43.33 H new ATOM 0 HB3 SER B 82 12.679 17.787 -8.855 1.00 43.33 H new ATOM 0 HG SER B 82 13.755 19.633 -7.923 1.00 71.34 H new ATOM 1418 N GLN B 83 10.948 15.331 -8.359 1.00 45.12 N ATOM 1419 CA GLN B 83 10.741 13.905 -8.597 1.00 65.34 C ATOM 1420 C GLN B 83 12.051 13.145 -8.778 1.00 13.44 C ATOM 1421 O GLN B 83 12.160 11.974 -8.421 1.00 12.11 O ATOM 1422 CB GLN B 83 9.695 13.632 -9.705 1.00 30.22 C ATOM 1423 CG GLN B 83 10.022 14.082 -11.136 1.00 4.43 C ATOM 1424 CD GLN B 83 10.887 13.097 -11.921 1.00 53.31 C ATOM 1425 OE1 GLN B 83 12.115 13.188 -11.951 1.00 72.33 O ATOM 1426 NE2 GLN B 83 10.254 12.122 -12.513 1.00 45.23 N ATOM 0 H GLN B 83 10.590 15.941 -9.093 1.00 45.12 H new ATOM 0 HA GLN B 83 10.301 13.496 -7.687 1.00 65.34 H new ATOM 0 HB2 GLN B 83 9.506 12.559 -9.728 1.00 30.22 H new ATOM 0 HB3 GLN B 83 8.763 14.113 -9.409 1.00 30.22 H new ATOM 0 HG2 GLN B 83 9.089 14.240 -11.677 1.00 4.43 H new ATOM 0 HG3 GLN B 83 10.533 15.044 -11.094 1.00 4.43 H new ATOM 0 HE21 GLN B 83 9.236 12.074 -12.470 1.00 45.23 H new ATOM 0 HE22 GLN B 83 10.777 11.407 -13.019 1.00 45.23 H new ATOM 1435 N SER B 84 13.050 13.827 -9.299 1.00 55.44 N ATOM 1436 CA SER B 84 14.342 13.239 -9.528 1.00 52.11 C ATOM 1437 C SER B 84 15.035 12.919 -8.191 1.00 62.21 C ATOM 1438 O SER B 84 15.681 11.873 -8.047 1.00 10.02 O ATOM 1439 CB SER B 84 15.148 14.209 -10.362 1.00 45.03 C ATOM 1440 OG SER B 84 14.360 14.641 -11.472 1.00 21.34 O ATOM 0 H SER B 84 12.983 14.807 -9.574 1.00 55.44 H new ATOM 0 HA SER B 84 14.247 12.294 -10.062 1.00 52.11 H new ATOM 0 HB2 SER B 84 15.447 15.065 -9.758 1.00 45.03 H new ATOM 0 HB3 SER B 84 16.063 13.732 -10.714 1.00 45.03 H new ATOM 0 HG SER B 84 13.622 14.012 -11.614 1.00 21.34 H new ATOM 1446 N GLU B 85 14.858 13.810 -7.207 1.00 50.43 N ATOM 1447 CA GLU B 85 15.404 13.611 -5.867 1.00 3.23 C ATOM 1448 C GLU B 85 14.759 12.383 -5.245 1.00 41.23 C ATOM 1449 O GLU B 85 15.421 11.580 -4.574 1.00 11.14 O ATOM 1450 CB GLU B 85 15.110 14.822 -4.984 1.00 33.34 C ATOM 1451 CG GLU B 85 15.583 16.149 -5.535 1.00 42.23 C ATOM 1452 CD GLU B 85 17.069 16.217 -5.716 1.00 44.10 C ATOM 1453 OE1 GLU B 85 17.779 16.535 -4.750 1.00 64.25 O ATOM 1454 OE2 GLU B 85 17.553 15.978 -6.836 1.00 70.32 O ATOM 0 H GLU B 85 14.337 14.680 -7.320 1.00 50.43 H new ATOM 0 HA GLU B 85 16.483 13.479 -5.943 1.00 3.23 H new ATOM 0 HB2 GLU B 85 14.034 14.878 -4.818 1.00 33.34 H new ATOM 0 HB3 GLU B 85 15.575 14.664 -4.011 1.00 33.34 H new ATOM 0 HG2 GLU B 85 15.098 16.330 -6.494 1.00 42.23 H new ATOM 0 HG3 GLU B 85 15.268 16.947 -4.863 1.00 42.23 H new ATOM 1461 N LEU B 86 13.459 12.236 -5.500 1.00 73.22 N ATOM 1462 CA LEU B 86 12.684 11.108 -5.015 1.00 10.22 C ATOM 1463 C LEU B 86 13.233 9.815 -5.587 1.00 65.33 C ATOM 1464 O LEU B 86 13.440 8.855 -4.857 1.00 30.50 O ATOM 1465 CB LEU B 86 11.202 11.267 -5.404 1.00 32.54 C ATOM 1466 CG LEU B 86 10.466 12.461 -4.797 1.00 41.02 C ATOM 1467 CD1 LEU B 86 9.048 12.537 -5.335 1.00 52.52 C ATOM 1468 CD2 LEU B 86 10.448 12.353 -3.280 1.00 23.21 C ATOM 0 H LEU B 86 12.917 12.902 -6.051 1.00 73.22 H new ATOM 0 HA LEU B 86 12.759 11.077 -3.928 1.00 10.22 H new ATOM 0 HB2 LEU B 86 11.140 11.343 -6.490 1.00 32.54 H new ATOM 0 HB3 LEU B 86 10.674 10.358 -5.117 1.00 32.54 H new ATOM 0 HG LEU B 86 10.994 13.373 -5.077 1.00 41.02 H new ATOM 0 HD11 LEU B 86 8.537 13.392 -4.893 1.00 52.52 H new ATOM 0 HD12 LEU B 86 9.076 12.651 -6.419 1.00 52.52 H new ATOM 0 HD13 LEU B 86 8.512 11.623 -5.080 1.00 52.52 H new ATOM 0 HD21 LEU B 86 9.921 13.210 -2.860 1.00 23.21 H new ATOM 0 HD22 LEU B 86 9.939 11.435 -2.987 1.00 23.21 H new ATOM 0 HD23 LEU B 86 11.471 12.337 -2.904 1.00 23.21 H new ATOM 1480 N ALA B 87 13.539 9.832 -6.880 1.00 4.44 N ATOM 1481 CA ALA B 87 14.070 8.668 -7.570 1.00 14.42 C ATOM 1482 C ALA B 87 15.366 8.208 -6.921 1.00 35.03 C ATOM 1483 O ALA B 87 15.521 7.025 -6.592 1.00 72.55 O ATOM 1484 CB ALA B 87 14.295 8.977 -9.043 1.00 1.41 C ATOM 0 H ALA B 87 13.425 10.652 -7.476 1.00 4.44 H new ATOM 0 HA ALA B 87 13.340 7.862 -7.494 1.00 14.42 H new ATOM 0 HB1 ALA B 87 14.693 8.094 -9.543 1.00 1.41 H new ATOM 0 HB2 ALA B 87 13.349 9.260 -9.504 1.00 1.41 H new ATOM 0 HB3 ALA B 87 15.005 9.799 -9.138 1.00 1.41 H new ATOM 1490 N ALA B 88 16.270 9.148 -6.696 1.00 4.14 N ATOM 1491 CA ALA B 88 17.549 8.864 -6.073 1.00 53.23 C ATOM 1492 C ALA B 88 17.376 8.288 -4.667 1.00 34.22 C ATOM 1493 O ALA B 88 18.012 7.296 -4.317 1.00 30.41 O ATOM 1494 CB ALA B 88 18.398 10.126 -6.023 1.00 24.13 C ATOM 0 H ALA B 88 16.136 10.129 -6.941 1.00 4.14 H new ATOM 0 HA ALA B 88 18.055 8.113 -6.679 1.00 53.23 H new ATOM 0 HB1 ALA B 88 19.356 9.902 -5.554 1.00 24.13 H new ATOM 0 HB2 ALA B 88 18.567 10.491 -7.036 1.00 24.13 H new ATOM 0 HB3 ALA B 88 17.880 10.890 -5.444 1.00 24.13 H new ATOM 1500 N LEU B 89 16.499 8.887 -3.879 1.00 71.12 N ATOM 1501 CA LEU B 89 16.274 8.441 -2.505 1.00 42.20 C ATOM 1502 C LEU B 89 15.669 7.033 -2.463 1.00 63.22 C ATOM 1503 O LEU B 89 16.070 6.192 -1.646 1.00 30.24 O ATOM 1504 CB LEU B 89 15.371 9.430 -1.757 1.00 60.54 C ATOM 1505 CG LEU B 89 15.139 9.155 -0.266 1.00 63.34 C ATOM 1506 CD1 LEU B 89 16.457 9.169 0.501 1.00 60.14 C ATOM 1507 CD2 LEU B 89 14.178 10.182 0.309 1.00 50.33 C ATOM 0 H LEU B 89 15.929 9.684 -4.163 1.00 71.12 H new ATOM 0 HA LEU B 89 17.244 8.404 -2.008 1.00 42.20 H new ATOM 0 HB2 LEU B 89 15.801 10.427 -1.857 1.00 60.54 H new ATOM 0 HB3 LEU B 89 14.401 9.450 -2.255 1.00 60.54 H new ATOM 0 HG LEU B 89 14.699 8.163 -0.162 1.00 63.34 H new ATOM 0 HD11 LEU B 89 16.266 8.972 1.556 1.00 60.14 H new ATOM 0 HD12 LEU B 89 17.118 8.400 0.102 1.00 60.14 H new ATOM 0 HD13 LEU B 89 16.930 10.145 0.394 1.00 60.14 H new ATOM 0 HD21 LEU B 89 14.019 9.979 1.368 1.00 50.33 H new ATOM 0 HD22 LEU B 89 14.599 11.181 0.190 1.00 50.33 H new ATOM 0 HD23 LEU B 89 13.226 10.124 -0.218 1.00 50.33 H new ATOM 1519 N LEU B 90 14.769 6.759 -3.384 1.00 61.11 N ATOM 1520 CA LEU B 90 14.061 5.487 -3.420 1.00 33.50 C ATOM 1521 C LEU B 90 14.866 4.421 -4.159 1.00 13.04 C ATOM 1522 O LEU B 90 14.417 3.276 -4.275 1.00 54.12 O ATOM 1523 CB LEU B 90 12.709 5.657 -4.112 1.00 1.13 C ATOM 1524 CG LEU B 90 11.791 6.752 -3.567 1.00 1.25 C ATOM 1525 CD1 LEU B 90 10.519 6.816 -4.377 1.00 24.05 C ATOM 1526 CD2 LEU B 90 11.490 6.552 -2.089 1.00 43.42 C ATOM 0 H LEU B 90 14.505 7.405 -4.128 1.00 61.11 H new ATOM 0 HA LEU B 90 13.915 5.163 -2.389 1.00 33.50 H new ATOM 0 HB2 LEU B 90 12.890 5.859 -5.168 1.00 1.13 H new ATOM 0 HB3 LEU B 90 12.176 4.708 -4.056 1.00 1.13 H new ATOM 0 HG LEU B 90 12.312 7.705 -3.660 1.00 1.25 H new ATOM 0 HD11 LEU B 90 9.874 7.599 -3.979 1.00 24.05 H new ATOM 0 HD12 LEU B 90 10.760 7.038 -5.417 1.00 24.05 H new ATOM 0 HD13 LEU B 90 10.003 5.857 -4.321 1.00 24.05 H new ATOM 0 HD21 LEU B 90 10.835 7.350 -1.740 1.00 43.42 H new ATOM 0 HD22 LEU B 90 10.998 5.590 -1.945 1.00 43.42 H new ATOM 0 HD23 LEU B 90 12.421 6.572 -1.522 1.00 43.42 H new ATOM 1538 N GLU B 91 16.044 4.807 -4.658 1.00 45.33 N ATOM 1539 CA GLU B 91 16.940 3.914 -5.401 1.00 22.43 C ATOM 1540 C GLU B 91 16.275 3.381 -6.663 1.00 63.31 C ATOM 1541 O GLU B 91 16.401 2.197 -7.010 1.00 72.53 O ATOM 1542 CB GLU B 91 17.450 2.762 -4.525 1.00 34.10 C ATOM 1543 CG GLU B 91 18.374 3.192 -3.404 1.00 74.02 C ATOM 1544 CD GLU B 91 19.604 3.908 -3.903 1.00 63.23 C ATOM 1545 OE1 GLU B 91 20.199 3.483 -4.934 1.00 73.13 O ATOM 1546 OE2 GLU B 91 20.033 4.879 -3.259 1.00 54.24 O ATOM 0 H GLU B 91 16.406 5.755 -4.557 1.00 45.33 H new ATOM 0 HA GLU B 91 17.803 4.508 -5.701 1.00 22.43 H new ATOM 0 HB2 GLU B 91 16.594 2.242 -4.095 1.00 34.10 H new ATOM 0 HB3 GLU B 91 17.974 2.045 -5.157 1.00 34.10 H new ATOM 0 HG2 GLU B 91 17.830 3.846 -2.722 1.00 74.02 H new ATOM 0 HG3 GLU B 91 18.677 2.315 -2.832 1.00 74.02 H new ATOM 1553 N VAL B 92 15.591 4.255 -7.354 1.00 33.53 N ATOM 1554 CA VAL B 92 14.939 3.915 -8.587 1.00 2.41 C ATOM 1555 C VAL B 92 15.363 4.925 -9.632 1.00 32.32 C ATOM 1556 O VAL B 92 15.934 5.963 -9.295 1.00 23.34 O ATOM 1557 CB VAL B 92 13.376 3.891 -8.463 1.00 63.23 C ATOM 1558 CG1 VAL B 92 12.912 2.805 -7.503 1.00 12.32 C ATOM 1559 CG2 VAL B 92 12.822 5.247 -8.034 1.00 4.10 C ATOM 0 H VAL B 92 15.471 5.228 -7.074 1.00 33.53 H new ATOM 0 HA VAL B 92 15.237 2.905 -8.868 1.00 2.41 H new ATOM 0 HB VAL B 92 12.984 3.665 -9.455 1.00 63.23 H new ATOM 0 HG11 VAL B 92 11.824 2.816 -7.440 1.00 12.32 H new ATOM 0 HG12 VAL B 92 13.245 1.832 -7.865 1.00 12.32 H new ATOM 0 HG13 VAL B 92 13.334 2.988 -6.515 1.00 12.32 H new ATOM 0 HG21 VAL B 92 11.736 5.189 -7.959 1.00 4.10 H new ATOM 0 HG22 VAL B 92 13.238 5.520 -7.064 1.00 4.10 H new ATOM 0 HG23 VAL B 92 13.095 6.002 -8.772 1.00 4.10 H new ATOM 1569 N SER B 93 15.112 4.638 -10.863 1.00 35.42 N ATOM 1570 CA SER B 93 15.468 5.532 -11.926 1.00 0.14 C ATOM 1571 C SER B 93 14.338 6.555 -12.109 1.00 54.44 C ATOM 1572 O SER B 93 13.217 6.353 -11.587 1.00 24.14 O ATOM 1573 CB SER B 93 15.678 4.713 -13.195 1.00 23.34 C ATOM 1574 OG SER B 93 16.575 3.634 -12.944 1.00 1.11 O ATOM 0 H SER B 93 14.655 3.779 -11.168 1.00 35.42 H new ATOM 0 HA SER B 93 16.388 6.069 -11.698 1.00 0.14 H new ATOM 0 HB2 SER B 93 14.722 4.326 -13.549 1.00 23.34 H new ATOM 0 HB3 SER B 93 16.076 5.350 -13.985 1.00 23.34 H new ATOM 0 HG SER B 93 16.700 3.115 -13.766 1.00 1.11 H new ATOM 1580 N ARG B 94 14.609 7.648 -12.818 1.00 33.45 N ATOM 1581 CA ARG B 94 13.587 8.660 -13.066 1.00 2.32 C ATOM 1582 C ARG B 94 12.410 8.082 -13.808 1.00 72.10 C ATOM 1583 O ARG B 94 11.285 8.429 -13.525 1.00 61.25 O ATOM 1584 CB ARG B 94 14.131 9.882 -13.792 1.00 73.14 C ATOM 1585 CG ARG B 94 15.056 10.729 -12.951 1.00 54.32 C ATOM 1586 CD ARG B 94 15.556 11.931 -13.723 1.00 53.33 C ATOM 1587 NE ARG B 94 14.475 12.825 -14.163 1.00 21.14 N ATOM 1588 CZ ARG B 94 14.659 14.068 -14.630 1.00 13.43 C ATOM 1589 NH1 ARG B 94 15.880 14.591 -14.700 1.00 20.31 N ATOM 1590 NH2 ARG B 94 13.625 14.779 -15.040 1.00 44.34 N ATOM 0 H ARG B 94 15.520 7.854 -13.228 1.00 33.45 H new ATOM 0 HA ARG B 94 13.248 8.996 -12.086 1.00 2.32 H new ATOM 0 HB2 ARG B 94 14.664 9.555 -14.685 1.00 73.14 H new ATOM 0 HB3 ARG B 94 13.295 10.496 -14.127 1.00 73.14 H new ATOM 0 HG2 ARG B 94 14.533 11.062 -12.054 1.00 54.32 H new ATOM 0 HG3 ARG B 94 15.903 10.128 -12.621 1.00 54.32 H new ATOM 0 HD2 ARG B 94 16.252 12.492 -13.099 1.00 53.33 H new ATOM 0 HD3 ARG B 94 16.114 11.589 -14.595 1.00 53.33 H new ATOM 0 HE ARG B 94 13.518 12.475 -14.109 1.00 21.14 H new ATOM 0 HH11 ARG B 94 16.687 14.045 -14.397 1.00 20.31 H new ATOM 0 HH12 ARG B 94 16.010 15.538 -15.057 1.00 20.31 H new ATOM 0 HH21 ARG B 94 12.686 14.383 -15.001 1.00 44.34 H new ATOM 0 HH22 ARG B 94 13.765 15.725 -15.395 1.00 44.34 H new ATOM 1604 N GLN B 95 12.673 7.171 -14.732 1.00 63.51 N ATOM 1605 CA GLN B 95 11.627 6.477 -15.477 1.00 73.10 C ATOM 1606 C GLN B 95 10.706 5.687 -14.540 1.00 21.43 C ATOM 1607 O GLN B 95 9.501 5.558 -14.791 1.00 63.01 O ATOM 1608 CB GLN B 95 12.273 5.542 -16.502 1.00 14.11 C ATOM 1609 CG GLN B 95 11.302 4.668 -17.277 1.00 34.33 C ATOM 1610 CD GLN B 95 11.988 3.840 -18.330 1.00 13.43 C ATOM 1611 OE1 GLN B 95 12.999 4.254 -18.899 1.00 35.21 O ATOM 1612 NE2 GLN B 95 11.475 2.666 -18.579 1.00 24.53 N ATOM 0 H GLN B 95 13.619 6.889 -14.989 1.00 63.51 H new ATOM 0 HA GLN B 95 11.015 7.218 -15.991 1.00 73.10 H new ATOM 0 HB2 GLN B 95 12.843 6.143 -17.211 1.00 14.11 H new ATOM 0 HB3 GLN B 95 12.985 4.898 -15.986 1.00 14.11 H new ATOM 0 HG2 GLN B 95 10.779 4.009 -16.584 1.00 34.33 H new ATOM 0 HG3 GLN B 95 10.548 5.298 -17.749 1.00 34.33 H new ATOM 0 HE21 GLN B 95 10.636 2.361 -18.085 1.00 24.53 H new ATOM 0 HE22 GLN B 95 11.913 2.054 -19.267 1.00 24.53 H new ATOM 1621 N THR B 96 11.262 5.198 -13.465 1.00 21.22 N ATOM 1622 CA THR B 96 10.524 4.414 -12.527 1.00 0.23 C ATOM 1623 C THR B 96 9.545 5.313 -11.753 1.00 24.14 C ATOM 1624 O THR B 96 8.344 5.033 -11.702 1.00 5.35 O ATOM 1625 CB THR B 96 11.496 3.711 -11.570 1.00 71.41 C ATOM 1626 OG1 THR B 96 12.590 3.179 -12.347 1.00 40.00 O ATOM 1627 CG2 THR B 96 10.802 2.566 -10.851 1.00 50.43 C ATOM 0 H THR B 96 12.242 5.335 -13.219 1.00 21.22 H new ATOM 0 HA THR B 96 9.947 3.655 -13.055 1.00 0.23 H new ATOM 0 HB THR B 96 11.854 4.426 -10.829 1.00 71.41 H new ATOM 0 HG1 THR B 96 13.138 2.594 -11.783 1.00 40.00 H new ATOM 0 HG21 THR B 96 11.507 2.079 -10.177 1.00 50.43 H new ATOM 0 HG22 THR B 96 9.960 2.954 -10.278 1.00 50.43 H new ATOM 0 HG23 THR B 96 10.441 1.843 -11.582 1.00 50.43 H new ATOM 1635 N ILE B 97 10.051 6.418 -11.198 1.00 3.24 N ATOM 1636 CA ILE B 97 9.194 7.349 -10.466 1.00 15.23 C ATOM 1637 C ILE B 97 8.213 8.055 -11.421 1.00 54.43 C ATOM 1638 O ILE B 97 7.051 8.243 -11.081 1.00 12.25 O ATOM 1639 CB ILE B 97 10.011 8.387 -9.598 1.00 61.33 C ATOM 1640 CG1 ILE B 97 9.082 9.290 -8.761 1.00 13.20 C ATOM 1641 CG2 ILE B 97 10.941 9.235 -10.446 1.00 12.10 C ATOM 1642 CD1 ILE B 97 8.252 8.541 -7.734 1.00 15.23 C ATOM 0 H ILE B 97 11.034 6.685 -11.241 1.00 3.24 H new ATOM 0 HA ILE B 97 8.616 6.756 -9.757 1.00 15.23 H new ATOM 0 HB ILE B 97 10.623 7.798 -8.915 1.00 61.33 H new ATOM 0 HG12 ILE B 97 9.686 10.039 -8.248 1.00 13.20 H new ATOM 0 HG13 ILE B 97 8.412 9.826 -9.433 1.00 13.20 H new ATOM 0 HG21 ILE B 97 11.481 9.933 -9.807 1.00 12.10 H new ATOM 0 HG22 ILE B 97 11.653 8.590 -10.962 1.00 12.10 H new ATOM 0 HG23 ILE B 97 10.358 9.792 -11.180 1.00 12.10 H new ATOM 0 HD11 ILE B 97 7.626 9.246 -7.187 1.00 15.23 H new ATOM 0 HD12 ILE B 97 7.620 7.811 -8.239 1.00 15.23 H new ATOM 0 HD13 ILE B 97 8.913 8.027 -7.037 1.00 15.23 H new ATOM 1654 N ASN B 98 8.675 8.352 -12.640 1.00 30.33 N ATOM 1655 CA ASN B 98 7.859 9.016 -13.678 1.00 60.42 C ATOM 1656 C ASN B 98 6.647 8.159 -14.018 1.00 3.24 C ATOM 1657 O ASN B 98 5.522 8.664 -14.164 1.00 13.11 O ATOM 1658 CB ASN B 98 8.721 9.258 -14.942 1.00 64.50 C ATOM 1659 CG ASN B 98 7.990 9.927 -16.101 1.00 24.43 C ATOM 1660 OD1 ASN B 98 7.932 11.156 -16.186 1.00 33.15 O ATOM 1661 ND2 ASN B 98 7.496 9.140 -17.027 1.00 74.02 N ATOM 0 H ASN B 98 9.626 8.141 -12.941 1.00 30.33 H new ATOM 0 HA ASN B 98 7.508 9.976 -13.300 1.00 60.42 H new ATOM 0 HB2 ASN B 98 9.577 9.875 -14.667 1.00 64.50 H new ATOM 0 HB3 ASN B 98 9.114 8.301 -15.284 1.00 64.50 H new ATOM 0 HD21 ASN B 98 7.046 9.541 -17.850 1.00 74.02 H new ATOM 0 HD22 ASN B 98 7.562 8.127 -16.924 1.00 74.02 H new ATOM 1668 N GLY B 99 6.876 6.853 -14.102 1.00 32.15 N ATOM 1669 CA GLY B 99 5.813 5.924 -14.377 1.00 62.40 C ATOM 1670 C GLY B 99 4.781 5.897 -13.266 1.00 51.22 C ATOM 1671 O GLY B 99 3.583 5.704 -13.523 1.00 73.51 O ATOM 0 H GLY B 99 7.794 6.424 -13.982 1.00 32.15 H new ATOM 0 HA2 GLY B 99 5.329 6.195 -15.315 1.00 62.40 H new ATOM 0 HA3 GLY B 99 6.229 4.925 -14.510 1.00 62.40 H new ATOM 1675 N ILE B 100 5.242 6.048 -12.029 1.00 55.13 N ATOM 1676 CA ILE B 100 4.362 6.102 -10.868 1.00 14.23 C ATOM 1677 C ILE B 100 3.596 7.435 -10.825 1.00 12.31 C ATOM 1678 O ILE B 100 2.404 7.456 -10.509 1.00 62.21 O ATOM 1679 CB ILE B 100 5.137 5.865 -9.529 1.00 13.40 C ATOM 1680 CG1 ILE B 100 5.823 4.486 -9.533 1.00 21.05 C ATOM 1681 CG2 ILE B 100 4.206 5.985 -8.318 1.00 62.42 C ATOM 1682 CD1 ILE B 100 4.864 3.307 -9.660 1.00 51.13 C ATOM 0 H ILE B 100 6.233 6.136 -11.804 1.00 55.13 H new ATOM 0 HA ILE B 100 3.643 5.290 -10.972 1.00 14.23 H new ATOM 0 HB ILE B 100 5.901 6.638 -9.450 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.535 4.450 -10.357 1.00 21.05 H new ATOM 0 HG13 ILE B 100 6.396 4.376 -8.612 1.00 21.05 H new ATOM 0 HG21 ILE B 100 4.775 5.815 -7.404 1.00 62.42 H new ATOM 0 HG22 ILE B 100 3.768 6.983 -8.293 1.00 62.42 H new ATOM 0 HG23 ILE B 100 3.412 5.242 -8.395 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.430 2.375 -9.655 1.00 51.13 H new ATOM 0 HD12 ILE B 100 4.167 3.313 -8.822 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.309 3.389 -10.594 1.00 51.13 H new ATOM 1694 N GLU B 101 4.272 8.535 -11.178 1.00 42.35 N ATOM 1695 CA GLU B 101 3.639 9.869 -11.208 1.00 14.13 C ATOM 1696 C GLU B 101 2.439 9.893 -12.142 1.00 62.12 C ATOM 1697 O GLU B 101 1.437 10.556 -11.860 1.00 33.44 O ATOM 1698 CB GLU B 101 4.621 10.937 -11.695 1.00 72.22 C ATOM 1699 CG GLU B 101 5.853 11.137 -10.848 1.00 22.14 C ATOM 1700 CD GLU B 101 6.710 12.244 -11.397 1.00 2.35 C ATOM 1701 OE1 GLU B 101 6.471 13.410 -11.051 1.00 12.42 O ATOM 1702 OE2 GLU B 101 7.600 11.985 -12.221 1.00 14.03 O ATOM 0 H GLU B 101 5.256 8.533 -11.447 1.00 42.35 H new ATOM 0 HA GLU B 101 3.324 10.081 -10.186 1.00 14.13 H new ATOM 0 HB2 GLU B 101 4.937 10.678 -12.706 1.00 72.22 H new ATOM 0 HB3 GLU B 101 4.091 11.887 -11.760 1.00 72.22 H new ATOM 0 HG2 GLU B 101 5.561 11.372 -9.824 1.00 22.14 H new ATOM 0 HG3 GLU B 101 6.428 10.211 -10.811 1.00 22.14 H new ATOM 1709 N LYS B 102 2.535 9.166 -13.229 1.00 72.42 N ATOM 1710 CA LYS B 102 1.450 9.086 -14.195 1.00 3.42 C ATOM 1711 C LYS B 102 0.660 7.788 -14.010 1.00 64.33 C ATOM 1712 O LYS B 102 -0.218 7.470 -14.806 1.00 74.05 O ATOM 1713 CB LYS B 102 2.011 9.188 -15.625 1.00 71.34 C ATOM 1714 CG LYS B 102 2.783 10.481 -15.887 1.00 73.40 C ATOM 1715 CD LYS B 102 1.884 11.708 -15.763 1.00 3.32 C ATOM 1716 CE LYS B 102 2.686 13.006 -15.807 1.00 11.20 C ATOM 1717 NZ LYS B 102 3.439 13.184 -17.068 1.00 30.21 N ATOM 0 H LYS B 102 3.358 8.615 -13.474 1.00 72.42 H new ATOM 0 HA LYS B 102 0.768 9.920 -14.030 1.00 3.42 H new ATOM 0 HB2 LYS B 102 2.668 8.338 -15.810 1.00 71.34 H new ATOM 0 HB3 LYS B 102 1.188 9.115 -16.336 1.00 71.34 H new ATOM 0 HG2 LYS B 102 3.609 10.562 -15.180 1.00 73.40 H new ATOM 0 HG3 LYS B 102 3.220 10.449 -16.885 1.00 73.40 H new ATOM 0 HD2 LYS B 102 1.152 11.705 -16.571 1.00 3.32 H new ATOM 0 HD3 LYS B 102 1.326 11.657 -14.828 1.00 3.32 H new ATOM 0 HE2 LYS B 102 2.008 13.849 -15.674 1.00 11.20 H new ATOM 0 HE3 LYS B 102 3.383 13.023 -14.970 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 3.921 14.105 -17.057 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 4.144 12.425 -17.161 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 2.782 13.147 -17.873 1.00 30.21 H new ATOM 1731 N ASN B 103 0.999 7.060 -12.927 1.00 21.34 N ATOM 1732 CA ASN B 103 0.410 5.742 -12.517 1.00 41.10 C ATOM 1733 C ASN B 103 0.242 4.767 -13.686 1.00 30.41 C ATOM 1734 O ASN B 103 -0.588 3.855 -13.646 1.00 2.25 O ATOM 1735 CB ASN B 103 -0.915 5.897 -11.702 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.129 6.367 -12.498 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -2.367 7.577 -12.653 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -2.939 5.429 -12.938 1.00 15.22 N ATOM 0 H ASN B 103 1.720 7.376 -12.278 1.00 21.34 H new ATOM 0 HA ASN B 103 1.146 5.298 -11.846 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -1.153 4.937 -11.244 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -0.740 6.603 -10.890 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -3.798 5.684 -13.426 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -2.709 4.446 -12.791 1.00 15.22 H new ATOM 1745 N LYS B 104 1.141 4.850 -14.636 1.00 23.05 N ATOM 1746 CA LYS B 104 1.022 4.078 -15.854 1.00 71.21 C ATOM 1747 C LYS B 104 1.890 2.842 -15.705 1.00 63.12 C ATOM 1748 O LYS B 104 1.724 1.835 -16.386 1.00 54.40 O ATOM 1749 CB LYS B 104 1.446 4.934 -17.052 1.00 54.41 C ATOM 1750 CG LYS B 104 1.070 4.349 -18.398 1.00 51.33 C ATOM 1751 CD LYS B 104 1.379 5.315 -19.522 1.00 14.11 C ATOM 1752 CE LYS B 104 0.840 4.811 -20.852 1.00 53.22 C ATOM 1753 NZ LYS B 104 1.462 3.536 -21.269 1.00 30.43 N ATOM 0 H LYS B 104 1.967 5.446 -14.591 1.00 23.05 H new ATOM 0 HA LYS B 104 -0.009 3.770 -16.029 1.00 71.21 H new ATOM 0 HB2 LYS B 104 0.992 5.921 -16.958 1.00 54.41 H new ATOM 0 HB3 LYS B 104 2.526 5.075 -17.019 1.00 54.41 H new ATOM 0 HG2 LYS B 104 1.613 3.417 -18.557 1.00 51.33 H new ATOM 0 HG3 LYS B 104 0.008 4.105 -18.407 1.00 51.33 H new ATOM 0 HD2 LYS B 104 0.944 6.289 -19.297 1.00 14.11 H new ATOM 0 HD3 LYS B 104 2.457 5.457 -19.595 1.00 14.11 H new ATOM 0 HE2 LYS B 104 -0.239 4.677 -20.776 1.00 53.22 H new ATOM 0 HE3 LYS B 104 1.014 5.565 -21.620 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 1.111 3.270 -22.211 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 2.495 3.649 -21.303 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 1.218 2.791 -20.586 1.00 30.43 H new ATOM 1767 N TYR B 105 2.783 2.926 -14.738 1.00 74.05 N ATOM 1768 CA TYR B 105 3.681 1.852 -14.375 1.00 12.53 C ATOM 1769 C TYR B 105 2.918 0.864 -13.486 1.00 13.41 C ATOM 1770 O TYR B 105 3.386 -0.254 -13.229 1.00 2.12 O ATOM 1771 CB TYR B 105 4.848 2.478 -13.586 1.00 73.50 C ATOM 1772 CG TYR B 105 6.045 1.596 -13.327 1.00 32.23 C ATOM 1773 CD1 TYR B 105 7.000 1.423 -14.303 1.00 62.14 C ATOM 1774 CD2 TYR B 105 6.238 0.968 -12.101 1.00 33.20 C ATOM 1775 CE1 TYR B 105 8.115 0.648 -14.082 1.00 3.04 C ATOM 1776 CE2 TYR B 105 7.349 0.187 -11.872 1.00 1.32 C ATOM 1777 CZ TYR B 105 8.283 0.031 -12.867 1.00 33.11 C ATOM 1778 OH TYR B 105 9.400 -0.740 -12.645 1.00 24.32 O ATOM 0 H TYR B 105 2.905 3.765 -14.170 1.00 74.05 H new ATOM 0 HA TYR B 105 4.058 1.326 -15.252 1.00 12.53 H new ATOM 0 HB2 TYR B 105 5.188 3.362 -14.126 1.00 73.50 H new ATOM 0 HB3 TYR B 105 4.464 2.820 -12.625 1.00 73.50 H new ATOM 0 HD1 TYR B 105 6.872 1.905 -15.261 1.00 62.14 H new ATOM 0 HD2 TYR B 105 5.506 1.095 -11.317 1.00 33.20 H new ATOM 0 HE1 TYR B 105 8.854 0.526 -14.860 1.00 3.04 H new ATOM 0 HE2 TYR B 105 7.485 -0.299 -10.917 1.00 1.32 H new ATOM 0 HH TYR B 105 9.370 -1.106 -11.736 1.00 24.32 H new ATOM 1788 N ASN B 106 1.710 1.302 -13.078 1.00 43.42 N ATOM 1789 CA ASN B 106 0.830 0.633 -12.116 1.00 41.25 C ATOM 1790 C ASN B 106 1.423 0.757 -10.735 1.00 40.41 C ATOM 1791 O ASN B 106 2.587 0.408 -10.533 1.00 21.44 O ATOM 1792 CB ASN B 106 0.506 -0.840 -12.472 1.00 44.44 C ATOM 1793 CG ASN B 106 -0.432 -1.504 -11.457 1.00 2.30 C ATOM 1794 OD1 ASN B 106 -1.661 -1.412 -11.577 1.00 64.13 O ATOM 1795 ND2 ASN B 106 0.120 -2.200 -10.481 1.00 53.45 N ATOM 0 H ASN B 106 1.309 2.171 -13.430 1.00 43.42 H new ATOM 0 HA ASN B 106 -0.135 1.139 -12.152 1.00 41.25 H new ATOM 0 HB2 ASN B 106 0.049 -0.878 -13.461 1.00 44.44 H new ATOM 0 HB3 ASN B 106 1.434 -1.408 -12.528 1.00 44.44 H new ATOM 0 HD21 ASN B 106 -0.469 -2.680 -9.800 1.00 53.45 H new ATOM 0 HD22 ASN B 106 1.136 -2.258 -10.407 1.00 53.45 H new ATOM 1802 N PRO B 107 0.649 1.318 -9.777 1.00 2.41 N ATOM 1803 CA PRO B 107 1.107 1.545 -8.405 1.00 33.40 C ATOM 1804 C PRO B 107 1.735 0.305 -7.786 1.00 61.13 C ATOM 1805 O PRO B 107 1.039 -0.596 -7.317 1.00 2.50 O ATOM 1806 CB PRO B 107 -0.165 1.936 -7.650 1.00 23.24 C ATOM 1807 CG PRO B 107 -1.057 2.509 -8.693 1.00 52.51 C ATOM 1808 CD PRO B 107 -0.750 1.768 -9.961 1.00 12.41 C ATOM 0 HA PRO B 107 1.886 2.306 -8.366 1.00 33.40 H new ATOM 0 HB2 PRO B 107 -0.622 1.072 -7.168 1.00 23.24 H new ATOM 0 HB3 PRO B 107 0.047 2.663 -6.866 1.00 23.24 H new ATOM 0 HG2 PRO B 107 -2.105 2.390 -8.417 1.00 52.51 H new ATOM 0 HG3 PRO B 107 -0.878 3.577 -8.814 1.00 52.51 H new ATOM 0 HD2 PRO B 107 -1.426 0.925 -10.105 1.00 12.41 H new ATOM 0 HD3 PRO B 107 -0.852 2.411 -10.835 1.00 12.41 H new ATOM 1816 N SER B 108 3.037 0.238 -7.867 1.00 32.11 N ATOM 1817 CA SER B 108 3.768 -0.845 -7.321 1.00 31.54 C ATOM 1818 C SER B 108 3.872 -0.608 -5.837 1.00 35.33 C ATOM 1819 O SER B 108 4.304 0.475 -5.411 1.00 31.14 O ATOM 1820 CB SER B 108 5.126 -0.910 -7.996 1.00 33.24 C ATOM 1821 OG SER B 108 4.963 -0.958 -9.414 1.00 63.24 O ATOM 0 H SER B 108 3.614 0.946 -8.321 1.00 32.11 H new ATOM 0 HA SER B 108 3.280 -1.805 -7.490 1.00 31.54 H new ATOM 0 HB2 SER B 108 5.721 -0.040 -7.719 1.00 33.24 H new ATOM 0 HB3 SER B 108 5.670 -1.790 -7.654 1.00 33.24 H new ATOM 0 HG SER B 108 4.202 -0.398 -9.675 1.00 63.24 H new ATOM 1827 N LEU B 109 3.494 -1.598 -5.069 1.00 41.22 N ATOM 1828 CA LEU B 109 3.326 -1.444 -3.646 1.00 3.42 C ATOM 1829 C LEU B 109 4.628 -1.075 -2.954 1.00 71.35 C ATOM 1830 O LEU B 109 4.669 -0.092 -2.240 1.00 31.14 O ATOM 1831 CB LEU B 109 2.614 -2.688 -3.043 1.00 34.44 C ATOM 1832 CG LEU B 109 2.200 -2.654 -1.548 1.00 23.40 C ATOM 1833 CD1 LEU B 109 3.362 -3.003 -0.633 1.00 22.03 C ATOM 1834 CD2 LEU B 109 1.622 -1.280 -1.183 1.00 44.53 C ATOM 0 H LEU B 109 3.293 -2.537 -5.414 1.00 41.22 H new ATOM 0 HA LEU B 109 2.667 -0.595 -3.462 1.00 3.42 H new ATOM 0 HB2 LEU B 109 1.715 -2.873 -3.631 1.00 34.44 H new ATOM 0 HB3 LEU B 109 3.270 -3.547 -3.185 1.00 34.44 H new ATOM 0 HG LEU B 109 1.430 -3.411 -1.403 1.00 23.40 H new ATOM 0 HD11 LEU B 109 3.031 -2.968 0.405 1.00 22.03 H new ATOM 0 HD12 LEU B 109 3.720 -4.006 -0.866 1.00 22.03 H new ATOM 0 HD13 LEU B 109 4.169 -2.286 -0.781 1.00 22.03 H new ATOM 0 HD21 LEU B 109 1.337 -1.273 -0.131 1.00 44.53 H new ATOM 0 HD22 LEU B 109 2.373 -0.510 -1.360 1.00 44.53 H new ATOM 0 HD23 LEU B 109 0.745 -1.079 -1.798 1.00 44.53 H new ATOM 1846 N GLN B 110 5.687 -1.823 -3.206 1.00 2.30 N ATOM 1847 CA GLN B 110 6.999 -1.559 -2.600 1.00 25.44 C ATOM 1848 C GLN B 110 7.476 -0.122 -2.904 1.00 14.52 C ATOM 1849 O GLN B 110 7.962 0.589 -2.021 1.00 12.34 O ATOM 1850 CB GLN B 110 8.016 -2.572 -3.139 1.00 43.20 C ATOM 1851 CG GLN B 110 9.379 -2.527 -2.463 1.00 23.12 C ATOM 1852 CD GLN B 110 9.332 -2.888 -0.979 1.00 1.11 C ATOM 1853 OE1 GLN B 110 8.437 -3.766 -0.602 1.00 21.35 O flip ATOM 1854 NE2 GLN B 110 10.136 -2.393 -0.187 1.00 45.30 N flip ATOM 0 H GLN B 110 5.673 -2.628 -3.832 1.00 2.30 H new ATOM 0 HA GLN B 110 6.910 -1.660 -1.518 1.00 25.44 H new ATOM 0 HB2 GLN B 110 7.603 -3.575 -3.028 1.00 43.20 H new ATOM 0 HB3 GLN B 110 8.149 -2.399 -4.207 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.053 -3.213 -2.975 1.00 23.12 H new ATOM 0 HG3 GLN B 110 9.798 -1.527 -2.573 1.00 23.12 H new ATOM 0 HE21 GLN B 110 10.821 -1.711 -0.514 1.00 45.30 H new ATOM 0 HE22 GLN B 110 10.117 -2.665 0.796 1.00 45.30 H new ATOM 1863 N LEU B 111 7.312 0.284 -4.150 1.00 33.52 N ATOM 1864 CA LEU B 111 7.687 1.624 -4.605 1.00 33.42 C ATOM 1865 C LEU B 111 6.874 2.698 -3.882 1.00 12.12 C ATOM 1866 O LEU B 111 7.426 3.647 -3.345 1.00 53.21 O ATOM 1867 CB LEU B 111 7.512 1.769 -6.137 1.00 75.22 C ATOM 1868 CG LEU B 111 8.538 1.062 -7.064 1.00 12.11 C ATOM 1869 CD1 LEU B 111 8.560 -0.452 -6.881 1.00 72.44 C ATOM 1870 CD2 LEU B 111 8.247 1.408 -8.510 1.00 1.23 C ATOM 0 H LEU B 111 6.914 -0.303 -4.883 1.00 33.52 H new ATOM 0 HA LEU B 111 8.741 1.763 -4.365 1.00 33.42 H new ATOM 0 HB2 LEU B 111 6.520 1.399 -6.395 1.00 75.22 H new ATOM 0 HB3 LEU B 111 7.527 2.833 -6.374 1.00 75.22 H new ATOM 0 HG LEU B 111 9.526 1.426 -6.784 1.00 12.11 H new ATOM 0 HD11 LEU B 111 9.296 -0.889 -7.556 1.00 72.44 H new ATOM 0 HD12 LEU B 111 8.825 -0.690 -5.851 1.00 72.44 H new ATOM 0 HD13 LEU B 111 7.575 -0.860 -7.106 1.00 72.44 H new ATOM 0 HD21 LEU B 111 8.970 0.909 -9.156 1.00 1.23 H new ATOM 0 HD22 LEU B 111 7.241 1.077 -8.768 1.00 1.23 H new ATOM 0 HD23 LEU B 111 8.321 2.487 -8.648 1.00 1.23 H new ATOM 1882 N ALA B 112 5.576 2.490 -3.824 1.00 72.35 N ATOM 1883 CA ALA B 112 4.647 3.434 -3.202 1.00 41.10 C ATOM 1884 C ALA B 112 4.903 3.529 -1.703 1.00 44.34 C ATOM 1885 O ALA B 112 4.866 4.611 -1.105 1.00 24.52 O ATOM 1886 CB ALA B 112 3.213 3.006 -3.464 1.00 4.33 C ATOM 0 H ALA B 112 5.124 1.659 -4.207 1.00 72.35 H new ATOM 0 HA ALA B 112 4.808 4.418 -3.642 1.00 41.10 H new ATOM 0 HB1 ALA B 112 2.530 3.716 -2.997 1.00 4.33 H new ATOM 0 HB2 ALA B 112 3.031 2.981 -4.538 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.047 2.013 -3.045 1.00 4.33 H new ATOM 1892 N LEU B 113 5.191 2.388 -1.127 1.00 33.43 N ATOM 1893 CA LEU B 113 5.395 2.214 0.288 1.00 23.45 C ATOM 1894 C LEU B 113 6.593 3.029 0.769 1.00 50.21 C ATOM 1895 O LEU B 113 6.533 3.706 1.799 1.00 21.23 O ATOM 1896 CB LEU B 113 5.652 0.740 0.533 1.00 32.41 C ATOM 1897 CG LEU B 113 4.954 0.121 1.707 1.00 61.44 C ATOM 1898 CD1 LEU B 113 3.445 0.275 1.562 1.00 11.43 C ATOM 1899 CD2 LEU B 113 5.330 -1.341 1.805 1.00 70.53 C ATOM 0 H LEU B 113 5.294 1.521 -1.654 1.00 33.43 H new ATOM 0 HA LEU B 113 4.517 2.557 0.835 1.00 23.45 H new ATOM 0 HB2 LEU B 113 5.363 0.191 -0.363 1.00 32.41 H new ATOM 0 HB3 LEU B 113 6.725 0.598 0.662 1.00 32.41 H new ATOM 0 HG LEU B 113 5.264 0.629 2.620 1.00 61.44 H new ATOM 0 HD11 LEU B 113 2.949 -0.178 2.420 1.00 11.43 H new ATOM 0 HD12 LEU B 113 3.190 1.334 1.513 1.00 11.43 H new ATOM 0 HD13 LEU B 113 3.115 -0.220 0.649 1.00 11.43 H new ATOM 0 HD21 LEU B 113 4.823 -1.791 2.658 1.00 70.53 H new ATOM 0 HD22 LEU B 113 5.030 -1.856 0.892 1.00 70.53 H new ATOM 0 HD23 LEU B 113 6.408 -1.431 1.935 1.00 70.53 H new ATOM 1911 N LYS B 114 7.675 2.975 0.011 1.00 52.33 N ATOM 1912 CA LYS B 114 8.864 3.715 0.371 1.00 54.10 C ATOM 1913 C LYS B 114 8.660 5.226 0.232 1.00 25.41 C ATOM 1914 O LYS B 114 9.157 5.996 1.056 1.00 42.33 O ATOM 1915 CB LYS B 114 10.147 3.189 -0.302 1.00 63.32 C ATOM 1916 CG LYS B 114 10.144 3.128 -1.822 1.00 23.52 C ATOM 1917 CD LYS B 114 11.448 2.526 -2.342 1.00 64.34 C ATOM 1918 CE LYS B 114 11.599 1.077 -1.897 1.00 3.10 C ATOM 1919 NZ LYS B 114 12.912 0.500 -2.248 1.00 33.32 N ATOM 0 H LYS B 114 7.751 2.431 -0.849 1.00 52.33 H new ATOM 0 HA LYS B 114 9.032 3.532 1.432 1.00 54.10 H new ATOM 0 HB2 LYS B 114 10.979 3.819 0.012 1.00 63.32 H new ATOM 0 HB3 LYS B 114 10.345 2.187 0.079 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.300 2.530 -2.165 1.00 23.52 H new ATOM 0 HG3 LYS B 114 10.012 4.130 -2.231 1.00 23.52 H new ATOM 0 HD2 LYS B 114 11.468 2.579 -3.431 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.293 3.111 -1.979 1.00 64.34 H new ATOM 0 HE2 LYS B 114 11.459 1.018 -0.818 1.00 3.10 H new ATOM 0 HE3 LYS B 114 10.811 0.478 -2.354 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 12.957 -0.486 -1.921 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 13.039 0.528 -3.280 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 13.667 1.051 -1.791 1.00 33.32 H new ATOM 1933 N ILE B 115 7.871 5.637 -0.765 1.00 54.11 N ATOM 1934 CA ILE B 115 7.534 7.059 -0.956 1.00 1.24 C ATOM 1935 C ILE B 115 6.813 7.558 0.297 1.00 2.41 C ATOM 1936 O ILE B 115 7.142 8.614 0.852 1.00 64.12 O ATOM 1937 CB ILE B 115 6.573 7.261 -2.175 1.00 62.52 C ATOM 1938 CG1 ILE B 115 7.203 6.730 -3.462 1.00 62.35 C ATOM 1939 CG2 ILE B 115 6.198 8.737 -2.337 1.00 5.22 C ATOM 1940 CD1 ILE B 115 6.291 6.778 -4.676 1.00 35.31 C ATOM 0 H ILE B 115 7.453 5.011 -1.453 1.00 54.11 H new ATOM 0 HA ILE B 115 8.457 7.608 -1.139 1.00 1.24 H new ATOM 0 HB ILE B 115 5.663 6.694 -1.978 1.00 62.52 H new ATOM 0 HG12 ILE B 115 8.103 7.307 -3.676 1.00 62.35 H new ATOM 0 HG13 ILE B 115 7.517 5.699 -3.299 1.00 62.35 H new ATOM 0 HG21 ILE B 115 5.530 8.851 -3.191 1.00 5.22 H new ATOM 0 HG22 ILE B 115 5.697 9.086 -1.434 1.00 5.22 H new ATOM 0 HG23 ILE B 115 7.100 9.326 -2.502 1.00 5.22 H new ATOM 0 HD11 ILE B 115 6.819 6.382 -5.544 1.00 35.31 H new ATOM 0 HD12 ILE B 115 5.402 6.177 -4.487 1.00 35.31 H new ATOM 0 HD13 ILE B 115 5.997 7.810 -4.870 1.00 35.31 H new ATOM 1952 N ALA B 116 5.909 6.729 0.776 1.00 44.20 N ATOM 1953 CA ALA B 116 5.102 7.015 1.944 1.00 11.21 C ATOM 1954 C ALA B 116 5.955 7.129 3.184 1.00 70.10 C ATOM 1955 O ALA B 116 5.712 7.966 4.045 1.00 34.45 O ATOM 1956 CB ALA B 116 4.127 5.897 2.154 1.00 53.40 C ATOM 0 H ALA B 116 5.711 5.821 0.357 1.00 44.20 H new ATOM 0 HA ALA B 116 4.588 7.961 1.775 1.00 11.21 H new ATOM 0 HB1 ALA B 116 3.516 6.107 3.032 1.00 53.40 H new ATOM 0 HB2 ALA B 116 3.484 5.806 1.279 1.00 53.40 H new ATOM 0 HB3 ALA B 116 4.670 4.964 2.304 1.00 53.40 H new ATOM 1962 N TYR B 117 6.938 6.266 3.260 1.00 50.04 N ATOM 1963 CA TYR B 117 7.806 6.160 4.401 1.00 11.22 C ATOM 1964 C TYR B 117 8.754 7.353 4.544 1.00 40.54 C ATOM 1965 O TYR B 117 8.774 7.991 5.590 1.00 51.22 O ATOM 1966 CB TYR B 117 8.583 4.840 4.303 1.00 31.54 C ATOM 1967 CG TYR B 117 9.661 4.645 5.336 1.00 42.44 C ATOM 1968 CD1 TYR B 117 9.383 4.123 6.587 1.00 73.13 C ATOM 1969 CD2 TYR B 117 10.964 4.978 5.038 1.00 52.31 C ATOM 1970 CE1 TYR B 117 10.385 3.941 7.514 1.00 33.41 C ATOM 1971 CE2 TYR B 117 11.979 4.799 5.950 1.00 14.05 C ATOM 1972 CZ TYR B 117 11.684 4.281 7.190 1.00 45.04 C ATOM 1973 OH TYR B 117 12.690 4.085 8.109 1.00 12.24 O ATOM 0 H TYR B 117 7.159 5.606 2.515 1.00 50.04 H new ATOM 0 HA TYR B 117 7.191 6.168 5.301 1.00 11.22 H new ATOM 0 HB2 TYR B 117 7.875 4.015 4.382 1.00 31.54 H new ATOM 0 HB3 TYR B 117 9.036 4.778 3.314 1.00 31.54 H new ATOM 0 HD1 TYR B 117 8.368 3.855 6.840 1.00 73.13 H new ATOM 0 HD2 TYR B 117 11.194 5.389 4.066 1.00 52.31 H new ATOM 0 HE1 TYR B 117 10.157 3.535 8.488 1.00 33.41 H new ATOM 0 HE2 TYR B 117 12.995 5.062 5.695 1.00 14.05 H new ATOM 0 HH TYR B 117 12.466 3.322 8.682 1.00 12.24 H new ATOM 1983 N TYR B 118 9.489 7.682 3.484 1.00 52.41 N ATOM 1984 CA TYR B 118 10.515 8.739 3.565 1.00 3.45 C ATOM 1985 C TYR B 118 9.900 10.120 3.651 1.00 25.43 C ATOM 1986 O TYR B 118 10.356 10.972 4.409 1.00 40.30 O ATOM 1987 CB TYR B 118 11.502 8.671 2.389 1.00 51.32 C ATOM 1988 CG TYR B 118 12.380 7.433 2.366 1.00 74.11 C ATOM 1989 CD1 TYR B 118 13.577 7.389 3.063 1.00 25.42 C ATOM 1990 CD2 TYR B 118 12.013 6.319 1.644 1.00 1.22 C ATOM 1991 CE1 TYR B 118 14.375 6.262 3.038 1.00 72.42 C ATOM 1992 CE2 TYR B 118 12.797 5.194 1.612 1.00 0.00 C ATOM 1993 CZ TYR B 118 13.975 5.165 2.308 1.00 75.33 C ATOM 1994 OH TYR B 118 14.751 4.023 2.279 1.00 10.50 O ATOM 0 H TYR B 118 9.402 7.243 2.567 1.00 52.41 H new ATOM 0 HA TYR B 118 11.069 8.556 4.486 1.00 3.45 H new ATOM 0 HB2 TYR B 118 10.939 8.717 1.457 1.00 51.32 H new ATOM 0 HB3 TYR B 118 12.142 9.553 2.419 1.00 51.32 H new ATOM 0 HD1 TYR B 118 13.891 8.250 3.635 1.00 25.42 H new ATOM 0 HD2 TYR B 118 11.086 6.332 1.090 1.00 1.22 H new ATOM 0 HE1 TYR B 118 15.305 6.241 3.586 1.00 72.42 H new ATOM 0 HE2 TYR B 118 12.485 4.333 1.039 1.00 0.00 H new ATOM 0 HH TYR B 118 15.280 3.966 3.102 1.00 10.50 H new ATOM 2004 N LEU B 119 8.862 10.328 2.881 1.00 43.52 N ATOM 2005 CA LEU B 119 8.181 11.610 2.867 1.00 35.04 C ATOM 2006 C LEU B 119 7.245 11.756 4.052 1.00 52.42 C ATOM 2007 O LEU B 119 6.817 12.860 4.362 1.00 34.31 O ATOM 2008 CB LEU B 119 7.409 11.812 1.556 1.00 34.25 C ATOM 2009 CG LEU B 119 8.248 11.811 0.276 1.00 75.05 C ATOM 2010 CD1 LEU B 119 7.370 12.034 -0.939 1.00 73.24 C ATOM 2011 CD2 LEU B 119 9.336 12.864 0.347 1.00 30.33 C ATOM 0 H LEU B 119 8.465 9.629 2.253 1.00 43.52 H new ATOM 0 HA LEU B 119 8.947 12.382 2.942 1.00 35.04 H new ATOM 0 HB2 LEU B 119 6.658 11.026 1.475 1.00 34.25 H new ATOM 0 HB3 LEU B 119 6.874 12.760 1.615 1.00 34.25 H new ATOM 0 HG LEU B 119 8.723 10.834 0.182 1.00 75.05 H new ATOM 0 HD11 LEU B 119 7.986 12.030 -1.838 1.00 73.24 H new ATOM 0 HD12 LEU B 119 6.628 11.238 -1.003 1.00 73.24 H new ATOM 0 HD13 LEU B 119 6.864 12.995 -0.850 1.00 73.24 H new ATOM 0 HD21 LEU B 119 9.920 12.846 -0.573 1.00 30.33 H new ATOM 0 HD22 LEU B 119 8.883 13.848 0.470 1.00 30.33 H new ATOM 0 HD23 LEU B 119 9.988 12.657 1.195 1.00 30.33 H new ATOM 2022 N ASN B 120 6.996 10.641 4.731 1.00 23.44 N ATOM 2023 CA ASN B 120 6.023 10.540 5.824 1.00 34.54 C ATOM 2024 C ASN B 120 4.680 11.059 5.357 1.00 23.31 C ATOM 2025 O ASN B 120 4.296 12.203 5.610 1.00 53.04 O ATOM 2026 CB ASN B 120 6.446 11.255 7.113 1.00 0.13 C ATOM 2027 CG ASN B 120 5.473 10.991 8.266 1.00 2.32 C ATOM 2028 OD1 ASN B 120 5.031 9.757 8.408 1.00 41.33 O flip ATOM 2029 ND2 ASN B 120 5.182 11.889 9.071 1.00 61.11 N flip ATOM 0 H ASN B 120 7.473 9.761 4.536 1.00 23.44 H new ATOM 0 HA ASN B 120 5.960 9.483 6.081 1.00 34.54 H new ATOM 0 HB2 ASN B 120 7.444 10.924 7.399 1.00 0.13 H new ATOM 0 HB3 ASN B 120 6.506 12.328 6.929 1.00 0.13 H new ATOM 0 HD21 ASN B 120 5.540 12.834 8.933 1.00 61.11 H new ATOM 0 HD22 ASN B 120 4.584 11.682 9.871 1.00 61.11 H new ATOM 2036 N THR B 121 4.034 10.271 4.586 1.00 45.02 N ATOM 2037 CA THR B 121 2.778 10.625 4.029 1.00 24.13 C ATOM 2038 C THR B 121 1.916 9.370 4.007 1.00 75.14 C ATOM 2039 O THR B 121 2.418 8.287 3.675 1.00 45.22 O ATOM 2040 CB THR B 121 2.991 11.192 2.594 1.00 33.24 C ATOM 2041 OG1 THR B 121 3.927 12.289 2.657 1.00 22.11 O ATOM 2042 CG2 THR B 121 1.687 11.692 1.993 1.00 53.13 C ATOM 0 H THR B 121 4.365 9.345 4.317 1.00 45.02 H new ATOM 0 HA THR B 121 2.283 11.396 4.619 1.00 24.13 H new ATOM 0 HB THR B 121 3.374 10.390 1.963 1.00 33.24 H new ATOM 0 HG1 THR B 121 4.068 12.651 1.757 1.00 22.11 H new ATOM 0 HG21 THR B 121 1.873 12.081 0.992 1.00 53.13 H new ATOM 0 HG22 THR B 121 0.974 10.870 1.936 1.00 53.13 H new ATOM 0 HG23 THR B 121 1.278 12.485 2.619 1.00 53.13 H new ATOM 2050 N PRO B 122 0.652 9.466 4.438 1.00 2.53 N ATOM 2051 CA PRO B 122 -0.256 8.328 4.452 1.00 62.14 C ATOM 2052 C PRO B 122 -0.528 7.830 3.045 1.00 22.43 C ATOM 2053 O PRO B 122 -0.742 8.631 2.127 1.00 73.34 O ATOM 2054 CB PRO B 122 -1.548 8.889 5.067 1.00 52.13 C ATOM 2055 CG PRO B 122 -1.147 10.153 5.739 1.00 3.21 C ATOM 2056 CD PRO B 122 0.004 10.688 4.951 1.00 22.03 C ATOM 0 HA PRO B 122 0.153 7.483 5.006 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -2.301 9.073 4.300 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -1.982 8.186 5.778 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -1.972 10.865 5.757 1.00 3.21 H new ATOM 0 HG3 PRO B 122 -0.860 9.971 6.775 1.00 3.21 H new ATOM 0 HD2 PRO B 122 -0.328 11.338 4.142 1.00 22.03 H new ATOM 0 HD3 PRO B 122 0.681 11.273 5.573 1.00 22.03 H new ATOM 2064 N LEU B 123 -0.515 6.520 2.882 1.00 62.42 N ATOM 2065 CA LEU B 123 -0.783 5.870 1.598 1.00 13.13 C ATOM 2066 C LEU B 123 -2.103 6.316 1.027 1.00 71.12 C ATOM 2067 O LEU B 123 -2.205 6.537 -0.173 1.00 53.41 O ATOM 2068 CB LEU B 123 -0.774 4.334 1.715 1.00 34.12 C ATOM 2069 CG LEU B 123 0.583 3.629 1.902 1.00 42.20 C ATOM 2070 CD1 LEU B 123 1.518 3.914 0.736 1.00 35.04 C ATOM 2071 CD2 LEU B 123 1.226 3.967 3.234 1.00 13.21 C ATOM 0 H LEU B 123 -0.317 5.866 3.639 1.00 62.42 H new ATOM 0 HA LEU B 123 0.021 6.170 0.927 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -1.411 4.060 2.556 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -1.240 3.928 0.817 1.00 34.12 H new ATOM 0 HG LEU B 123 0.388 2.557 1.914 1.00 42.20 H new ATOM 0 HD11 LEU B 123 2.467 3.403 0.897 1.00 35.04 H new ATOM 0 HD12 LEU B 123 1.066 3.556 -0.189 1.00 35.04 H new ATOM 0 HD13 LEU B 123 1.692 4.988 0.663 1.00 35.04 H new ATOM 0 HD21 LEU B 123 2.180 3.447 3.320 1.00 13.21 H new ATOM 0 HD22 LEU B 123 1.392 5.042 3.295 1.00 13.21 H new ATOM 0 HD23 LEU B 123 0.568 3.655 4.045 1.00 13.21 H new ATOM 2082 N GLU B 124 -3.094 6.479 1.901 1.00 41.15 N ATOM 2083 CA GLU B 124 -4.426 6.924 1.498 1.00 25.13 C ATOM 2084 C GLU B 124 -4.400 8.313 0.856 1.00 23.31 C ATOM 2085 O GLU B 124 -5.232 8.629 -0.007 1.00 41.22 O ATOM 2086 CB GLU B 124 -5.384 6.926 2.682 1.00 25.40 C ATOM 2087 CG GLU B 124 -5.570 5.574 3.332 1.00 63.30 C ATOM 2088 CD GLU B 124 -6.634 5.596 4.386 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -7.818 5.479 4.032 1.00 53.22 O ATOM 2090 OE2 GLU B 124 -6.313 5.732 5.584 1.00 71.30 O ATOM 0 H GLU B 124 -2.998 6.308 2.902 1.00 41.15 H new ATOM 0 HA GLU B 124 -4.779 6.212 0.752 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -5.017 7.629 3.430 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -6.355 7.293 2.349 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -5.830 4.839 2.570 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -4.628 5.253 3.776 1.00 63.30 H new ATOM 2097 N ASP B 125 -3.500 9.157 1.316 1.00 34.01 N ATOM 2098 CA ASP B 125 -3.351 10.490 0.755 1.00 63.41 C ATOM 2099 C ASP B 125 -2.683 10.423 -0.619 1.00 42.14 C ATOM 2100 O ASP B 125 -3.065 11.138 -1.553 1.00 72.41 O ATOM 2101 CB ASP B 125 -2.580 11.412 1.709 1.00 22.41 C ATOM 2102 CG ASP B 125 -2.484 12.836 1.201 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -3.534 13.483 0.988 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -1.366 13.365 1.054 1.00 14.52 O ATOM 0 H ASP B 125 -2.857 8.946 2.079 1.00 34.01 H new ATOM 0 HA ASP B 125 -4.345 10.918 0.625 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -3.070 11.411 2.683 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -1.575 11.016 1.857 1.00 22.41 H new ATOM 2109 N ILE B 126 -1.699 9.524 -0.727 1.00 25.13 N ATOM 2110 CA ILE B 126 -0.889 9.351 -1.943 1.00 73.13 C ATOM 2111 C ILE B 126 -1.721 8.726 -3.055 1.00 51.12 C ATOM 2112 O ILE B 126 -1.850 9.283 -4.145 1.00 44.15 O ATOM 2113 CB ILE B 126 0.368 8.472 -1.682 1.00 50.03 C ATOM 2114 CG1 ILE B 126 1.182 9.043 -0.518 1.00 75.01 C ATOM 2115 CG2 ILE B 126 1.232 8.400 -2.943 1.00 14.41 C ATOM 2116 CD1 ILE B 126 2.404 8.231 -0.154 1.00 50.54 C ATOM 0 H ILE B 126 -1.439 8.891 0.030 1.00 25.13 H new ATOM 0 HA ILE B 126 -0.555 10.343 -2.248 1.00 73.13 H new ATOM 0 HB ILE B 126 0.042 7.465 -1.420 1.00 50.03 H new ATOM 0 HG12 ILE B 126 1.496 10.055 -0.772 1.00 75.01 H new ATOM 0 HG13 ILE B 126 0.537 9.119 0.358 1.00 75.01 H new ATOM 0 HG21 ILE B 126 2.109 7.782 -2.749 1.00 14.41 H new ATOM 0 HG22 ILE B 126 0.653 7.962 -3.756 1.00 14.41 H new ATOM 0 HG23 ILE B 126 1.550 9.404 -3.224 1.00 14.41 H new ATOM 0 HD11 ILE B 126 2.922 8.706 0.679 1.00 50.54 H new ATOM 0 HD12 ILE B 126 2.100 7.225 0.134 1.00 50.54 H new ATOM 0 HD13 ILE B 126 3.073 8.176 -1.013 1.00 50.54 H new ATOM 2128 N PHE B 127 -2.250 7.569 -2.791 1.00 35.15 N ATOM 2129 CA PHE B 127 -3.128 6.934 -3.722 1.00 22.52 C ATOM 2130 C PHE B 127 -4.500 6.900 -3.125 1.00 61.31 C ATOM 2131 O PHE B 127 -4.667 6.625 -1.941 1.00 64.35 O ATOM 2132 CB PHE B 127 -2.642 5.507 -4.095 1.00 0.12 C ATOM 2133 CG PHE B 127 -1.375 5.489 -4.899 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -1.413 5.670 -6.270 1.00 71.31 C ATOM 2135 CD2 PHE B 127 -0.149 5.291 -4.289 1.00 50.52 C ATOM 2136 CE1 PHE B 127 -0.253 5.653 -7.017 1.00 50.13 C ATOM 2137 CE2 PHE B 127 1.014 5.275 -5.032 1.00 53.10 C ATOM 2138 CZ PHE B 127 0.962 5.457 -6.397 1.00 22.32 C ATOM 0 H PHE B 127 -2.086 7.044 -1.932 1.00 35.15 H new ATOM 0 HA PHE B 127 -3.140 7.504 -4.651 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -2.489 4.935 -3.180 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -3.426 5.002 -4.659 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -2.362 5.826 -6.761 1.00 71.31 H new ATOM 0 HD2 PHE B 127 -0.102 5.147 -3.220 1.00 50.52 H new ATOM 0 HE1 PHE B 127 -0.297 5.793 -8.087 1.00 50.13 H new ATOM 0 HE2 PHE B 127 1.965 5.120 -4.544 1.00 53.10 H new ATOM 0 HZ PHE B 127 1.871 5.446 -6.980 1.00 22.32 H new ATOM 2148 N GLN B 128 -5.477 7.144 -3.924 1.00 72.24 N ATOM 2149 CA GLN B 128 -6.806 7.196 -3.450 1.00 2.15 C ATOM 2150 C GLN B 128 -7.581 6.108 -4.120 1.00 41.21 C ATOM 2151 O GLN B 128 -7.531 5.951 -5.333 1.00 54.12 O ATOM 2152 CB GLN B 128 -7.388 8.587 -3.679 1.00 43.12 C ATOM 2153 CG GLN B 128 -8.649 8.872 -2.896 1.00 54.21 C ATOM 2154 CD GLN B 128 -8.950 10.352 -2.853 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -8.480 11.063 -1.958 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -9.717 10.832 -3.784 1.00 41.41 N ATOM 0 H GLN B 128 -5.373 7.313 -4.925 1.00 72.24 H new ATOM 0 HA GLN B 128 -6.853 7.027 -2.374 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -6.635 9.330 -3.416 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -7.599 8.709 -4.741 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -9.487 8.342 -3.348 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -8.542 8.492 -1.880 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -10.088 10.216 -4.508 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -9.949 11.825 -3.792 1.00 41.41 H new ATOM 2165 N TRP B 129 -8.248 5.345 -3.345 1.00 13.44 N ATOM 2166 CA TRP B 129 -8.902 4.173 -3.825 1.00 61.35 C ATOM 2167 C TRP B 129 -10.374 4.175 -3.564 1.00 61.52 C ATOM 2168 O TRP B 129 -10.834 4.473 -2.457 1.00 24.43 O ATOM 2169 CB TRP B 129 -8.230 2.920 -3.253 1.00 14.01 C ATOM 2170 CG TRP B 129 -7.677 3.117 -1.869 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -8.372 3.233 -0.699 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -6.291 3.220 -1.529 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -7.500 3.413 0.343 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -6.213 3.403 -0.143 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -5.107 3.172 -2.272 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -4.999 3.538 0.519 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -3.905 3.305 -1.611 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -3.860 3.486 -0.230 1.00 31.53 C ATOM 0 H TRP B 129 -8.362 5.510 -2.345 1.00 13.44 H new ATOM 0 HA TRP B 129 -8.795 4.166 -4.910 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -8.954 2.105 -3.234 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -7.423 2.614 -3.918 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -9.447 3.189 -0.608 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -7.763 3.535 1.321 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -5.134 3.033 -3.343 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -4.958 3.679 1.589 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -2.983 3.268 -2.172 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -2.902 3.587 0.258 1.00 31.53 H new ATOM 2189 N GLN B 130 -11.102 3.857 -4.590 1.00 35.50 N ATOM 2190 CA GLN B 130 -12.527 3.737 -4.534 1.00 11.44 C ATOM 2191 C GLN B 130 -12.912 2.366 -5.037 1.00 30.22 C ATOM 2192 O GLN B 130 -13.072 2.174 -6.236 1.00 33.31 O ATOM 2193 CB GLN B 130 -13.199 4.806 -5.405 1.00 44.22 C ATOM 2194 CG GLN B 130 -12.903 6.230 -4.992 1.00 32.13 C ATOM 2195 CD GLN B 130 -13.528 6.624 -3.667 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -13.721 5.800 -2.768 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -13.880 7.867 -3.548 1.00 53.21 N ATOM 0 H GLN B 130 -10.712 3.669 -5.513 1.00 35.50 H new ATOM 0 HA GLN B 130 -12.858 3.876 -3.505 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -12.881 4.667 -6.438 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -14.278 4.651 -5.380 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -11.823 6.363 -4.928 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -13.262 6.906 -5.768 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -13.706 8.522 -4.310 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -14.331 8.190 -2.692 1.00 53.21 H new ATOM 2206 N PRO B 131 -12.946 1.358 -4.160 1.00 63.05 N ATOM 2207 CA PRO B 131 -13.378 0.021 -4.548 1.00 13.14 C ATOM 2208 C PRO B 131 -14.875 0.030 -4.821 1.00 44.11 C ATOM 2209 O PRO B 131 -15.342 -0.427 -5.856 1.00 4.41 O ATOM 2210 CB PRO B 131 -13.053 -0.841 -3.309 1.00 11.15 C ATOM 2211 CG PRO B 131 -12.139 0.003 -2.481 1.00 34.32 C ATOM 2212 CD PRO B 131 -12.542 1.417 -2.748 1.00 62.43 C ATOM 0 HA PRO B 131 -12.894 -0.350 -5.451 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -13.958 -1.099 -2.759 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -12.575 -1.778 -3.594 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -12.235 -0.238 -1.422 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -11.097 -0.165 -2.753 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -13.360 1.737 -2.103 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -11.719 2.113 -2.588 1.00 62.43 H new ATOM 2220 N GLU B 132 -15.595 0.608 -3.905 1.00 22.55 N ATOM 2221 CA GLU B 132 -17.008 0.713 -4.008 1.00 60.44 C ATOM 2222 C GLU B 132 -17.377 2.174 -4.119 1.00 3.22 C ATOM 2223 O GLU B 132 -17.724 2.624 -5.225 1.00 11.44 O ATOM 2224 CB GLU B 132 -17.701 0.044 -2.818 1.00 14.51 C ATOM 2225 CG GLU B 132 -17.366 -1.434 -2.669 1.00 33.32 C ATOM 2226 CD GLU B 132 -18.167 -2.106 -1.589 1.00 75.24 C ATOM 2227 OE1 GLU B 132 -19.305 -2.544 -1.860 1.00 31.01 O ATOM 2228 OE2 GLU B 132 -17.680 -2.230 -0.455 1.00 24.43 O ATOM 2229 OXT GLU B 132 -17.257 2.900 -3.117 1.00 0.00 O ATOM 0 H GLU B 132 -15.206 1.022 -3.058 1.00 22.55 H new ATOM 0 HA GLU B 132 -17.350 0.189 -4.900 1.00 60.44 H new ATOM 0 HB2 GLU B 132 -17.419 0.566 -1.904 1.00 14.51 H new ATOM 0 HB3 GLU B 132 -18.780 0.154 -2.928 1.00 14.51 H new ATOM 0 HG2 GLU B 132 -17.546 -1.940 -3.617 1.00 33.32 H new ATOM 0 HG3 GLU B 132 -16.304 -1.541 -2.447 1.00 33.32 H new TER 2236 GLU B 132