USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1091 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 ASN : amide:sc= -0.783 K(o=-2.7,f=-3.4) USER MOD Set 1.2: A 21 HIS : no HE2:sc= -1.91 X(o=-2.7,f=-2.5) USER MOD Set 1.3: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN : amide:sc= 0.0897 X(o=0.18,f=0) USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= 0.0856 USER MOD Set 3.1: A 11 TYR OH : rot 59:sc= -1.47! USER MOD Set 3.2: A 45 THR OG1 : rot 170:sc= -0.514 USER MOD Set 4.1: A 6 GLN : amide:sc= -0.115 X(o=-0.088,f=-0.44) USER MOD Set 4.2: A 7 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.021 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.335 K(o=-0.34,f=-1.2) USER MOD Single : A 14 ASN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.186 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -57:sc= 0.0606 USER MOD Single : A 25 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.056) USER MOD Single : A 29 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 31 CYS SG : rot 36:sc= -1.79 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -5.38 K(o=-5.4,f=-7.5!) USER MOD Single : A 43 SER OG : rot -148:sc= 1.26 USER MOD Single : A 46 THR OG1 : rot -63:sc= 0.148 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.791 X(o=-0.79,f=-0.98) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 60 THR OG1 : rot 46:sc= 0.255 USER MOD Single : A 63 TYR OH : rot -92:sc= 1.45 USER MOD Single : A 65 CYS SG : rot 138:sc= -1.43 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0553 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.18) USER MOD Single : A 72 TYR OH : rot -30:sc= -0.988 USER MOD Single : A 75 SER OG : rot 29:sc= 0.235 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -5.43! C(o=-5.4!,f=-5.1!) USER MOD Single : A 96 SER OG : rot -150:sc= -0.766 USER MOD Single : A 97 HIS : no HD1:sc= -0.985 X(o=-0.99,f=-1.2) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 118 HIS : no HD1:sc= -5.49 K(o=-5.5,f=-6.8!) USER MOD Single : A 125 THR OG1 : rot -61:sc= -4.57! USER MOD Single : A 126 MET CE :methyl -116:sc= -5.74! (180deg=-14.5!) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= -0.0307 X(o=-0.031,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.022 6.388 21.006 1.00 0.00 N ATOM 2 CA GLY A 1 12.356 5.336 22.005 1.00 0.00 C ATOM 3 C GLY A 1 13.757 4.783 21.820 1.00 0.00 C ATOM 4 O GLY A 1 14.647 5.491 21.349 1.00 0.00 O ATOM 0 H1 GLY A 1 11.658 7.230 21.497 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.877 6.642 20.471 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.298 6.028 20.352 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.262 5.750 23.009 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.635 4.523 21.927 1.00 0.00 H new ATOM 10 N PRO A 2 13.986 3.511 22.185 1.00 0.00 N ATOM 11 CA PRO A 2 15.301 2.875 22.051 1.00 0.00 C ATOM 12 C PRO A 2 15.681 2.635 20.594 1.00 0.00 C ATOM 13 O PRO A 2 16.863 2.606 20.247 1.00 0.00 O ATOM 14 CB PRO A 2 15.130 1.542 22.784 1.00 0.00 C ATOM 15 CG PRO A 2 13.670 1.255 22.713 1.00 0.00 C ATOM 16 CD PRO A 2 12.983 2.592 22.756 1.00 0.00 C ATOM 0 HA PRO A 2 16.098 3.499 22.456 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.712 0.752 22.310 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.470 1.612 23.817 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.422 0.718 21.798 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.355 0.627 23.546 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.062 2.589 22.173 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.714 2.873 23.774 1.00 0.00 H new ATOM 24 N TYR A 3 14.674 2.463 19.744 1.00 0.00 N ATOM 25 CA TYR A 3 14.903 2.227 18.324 1.00 0.00 C ATOM 26 C TYR A 3 14.110 3.213 17.473 1.00 0.00 C ATOM 27 O TYR A 3 14.684 4.031 16.755 1.00 0.00 O ATOM 28 CB TYR A 3 14.521 0.791 17.957 1.00 0.00 C ATOM 29 CG TYR A 3 15.567 0.078 17.129 1.00 0.00 C ATOM 30 CD1 TYR A 3 16.044 0.634 15.950 1.00 0.00 C ATOM 31 CD2 TYR A 3 16.076 -1.151 17.530 1.00 0.00 C ATOM 32 CE1 TYR A 3 16.999 -0.016 15.190 1.00 0.00 C ATOM 33 CE2 TYR A 3 17.032 -1.806 16.776 1.00 0.00 C ATOM 34 CZ TYR A 3 17.490 -1.234 15.608 1.00 0.00 C ATOM 35 OH TYR A 3 18.442 -1.884 14.856 1.00 0.00 O ATOM 0 H TYR A 3 13.691 2.483 20.015 1.00 0.00 H new ATOM 0 HA TYR A 3 15.964 2.375 18.122 1.00 0.00 H new ATOM 0 HB2 TYR A 3 14.347 0.225 18.872 1.00 0.00 H new ATOM 0 HB3 TYR A 3 13.581 0.804 17.406 1.00 0.00 H new ATOM 0 HD1 TYR A 3 15.663 1.590 15.621 1.00 0.00 H new ATOM 0 HD2 TYR A 3 15.719 -1.601 18.445 1.00 0.00 H new ATOM 0 HE1 TYR A 3 17.358 0.429 14.274 1.00 0.00 H new ATOM 0 HE2 TYR A 3 17.418 -2.761 17.100 1.00 0.00 H new ATOM 0 HH TYR A 3 18.682 -2.729 15.291 1.00 0.00 H new ATOM 45 N GLY A 4 12.786 3.131 17.560 1.00 0.00 N ATOM 46 CA GLY A 4 11.936 4.022 16.793 1.00 0.00 C ATOM 47 C GLY A 4 11.847 3.627 15.333 1.00 0.00 C ATOM 48 O GLY A 4 12.637 4.088 14.509 1.00 0.00 O ATOM 0 H GLY A 4 12.287 2.463 18.148 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.936 4.027 17.226 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.320 5.039 16.868 1.00 0.00 H new ATOM 52 N HIS A 5 10.885 2.769 15.010 1.00 0.00 N ATOM 53 CA HIS A 5 10.696 2.311 13.639 1.00 0.00 C ATOM 54 C HIS A 5 9.453 2.942 13.022 1.00 0.00 C ATOM 55 O HIS A 5 8.371 2.354 13.037 1.00 0.00 O ATOM 56 CB HIS A 5 10.581 0.787 13.599 1.00 0.00 C ATOM 57 CG HIS A 5 10.817 0.204 12.240 1.00 0.00 C ATOM 58 ND1 HIS A 5 11.984 0.395 11.530 1.00 0.00 N ATOM 59 CD2 HIS A 5 10.027 -0.571 11.459 1.00 0.00 C ATOM 60 CE1 HIS A 5 11.902 -0.236 10.372 1.00 0.00 C ATOM 61 NE2 HIS A 5 10.725 -0.830 10.306 1.00 0.00 N ATOM 0 H HIS A 5 10.224 2.377 15.680 1.00 0.00 H new ATOM 0 HA HIS A 5 11.565 2.618 13.057 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.298 0.358 14.299 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.588 0.497 13.942 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.033 -0.920 11.699 1.00 0.00 H new ATOM 0 HE1 HIS A 5 12.667 -0.261 9.610 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.388 -1.391 9.524 1.00 0.00 H new ATOM 70 N GLN A 6 9.613 4.145 12.477 1.00 0.00 N ATOM 71 CA GLN A 6 8.503 4.855 11.854 1.00 0.00 C ATOM 72 C GLN A 6 7.976 4.090 10.644 1.00 0.00 C ATOM 73 O GLN A 6 6.788 4.155 10.326 1.00 0.00 O ATOM 74 CB GLN A 6 8.941 6.260 11.433 1.00 0.00 C ATOM 75 CG GLN A 6 10.115 6.267 10.468 1.00 0.00 C ATOM 76 CD GLN A 6 9.724 6.722 9.075 1.00 0.00 C ATOM 77 OE1 GLN A 6 8.955 7.669 8.912 1.00 0.00 O ATOM 78 NE2 GLN A 6 10.252 6.045 8.062 1.00 0.00 N ATOM 0 H GLN A 6 10.501 4.647 12.455 1.00 0.00 H new ATOM 0 HA GLN A 6 7.700 4.936 12.587 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.097 6.771 10.969 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.209 6.830 12.323 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.894 6.923 10.855 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.541 5.265 10.413 1.00 0.00 H new ATOM 0 HE21 GLN A 6 10.885 5.266 8.244 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.024 6.304 7.102 1.00 0.00 H new ATOM 87 N SER A 7 8.867 3.367 9.974 1.00 0.00 N ATOM 88 CA SER A 7 8.491 2.589 8.798 1.00 0.00 C ATOM 89 C SER A 7 7.425 1.555 9.148 1.00 0.00 C ATOM 90 O SER A 7 7.354 1.082 10.282 1.00 0.00 O ATOM 91 CB SER A 7 9.718 1.893 8.207 1.00 0.00 C ATOM 92 OG SER A 7 10.874 2.703 8.334 1.00 0.00 O ATOM 0 H SER A 7 9.854 3.303 10.224 1.00 0.00 H new ATOM 0 HA SER A 7 8.078 3.274 8.057 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.879 0.941 8.713 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.541 1.668 7.155 1.00 0.00 H new ATOM 0 HG SER A 7 11.645 2.235 7.950 1.00 0.00 H new ATOM 98 N GLY A 8 6.599 1.209 8.168 1.00 0.00 N ATOM 99 CA GLY A 8 5.549 0.234 8.394 1.00 0.00 C ATOM 100 C GLY A 8 5.097 -0.443 7.115 1.00 0.00 C ATOM 101 O GLY A 8 4.990 0.198 6.070 1.00 0.00 O ATOM 0 H GLY A 8 6.637 1.586 7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.905 -0.522 9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.696 0.726 8.861 1.00 0.00 H new ATOM 105 N ALA A 9 4.832 -1.743 7.199 1.00 0.00 N ATOM 106 CA ALA A 9 4.389 -2.509 6.041 1.00 0.00 C ATOM 107 C ALA A 9 3.081 -3.236 6.333 1.00 0.00 C ATOM 108 O ALA A 9 2.467 -3.030 7.380 1.00 0.00 O ATOM 109 CB ALA A 9 5.465 -3.501 5.624 1.00 0.00 C ATOM 0 H ALA A 9 4.917 -2.287 8.057 1.00 0.00 H new ATOM 0 HA ALA A 9 4.212 -1.814 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.122 -4.067 4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.377 -2.962 5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.668 -4.185 6.448 1.00 0.00 H new ATOM 115 N VAL A 10 2.659 -4.085 5.402 1.00 0.00 N ATOM 116 CA VAL A 10 1.423 -4.842 5.563 1.00 0.00 C ATOM 117 C VAL A 10 1.710 -6.332 5.709 1.00 0.00 C ATOM 118 O VAL A 10 1.997 -7.016 4.727 1.00 0.00 O ATOM 119 CB VAL A 10 0.476 -4.627 4.367 1.00 0.00 C ATOM 120 CG1 VAL A 10 -0.860 -5.318 4.604 1.00 0.00 C ATOM 121 CG2 VAL A 10 0.277 -3.142 4.104 1.00 0.00 C ATOM 0 H VAL A 10 3.154 -4.266 4.529 1.00 0.00 H new ATOM 0 HA VAL A 10 0.940 -4.477 6.469 1.00 0.00 H new ATOM 0 HB VAL A 10 0.934 -5.072 3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.512 -5.153 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.698 -6.388 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.327 -4.909 5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.395 -3.010 3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.156 -2.671 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.239 -2.680 3.881 1.00 0.00 H new ATOM 131 N TYR A 11 1.631 -6.833 6.939 1.00 0.00 N ATOM 132 CA TYR A 11 1.885 -8.244 7.199 1.00 0.00 C ATOM 133 C TYR A 11 0.574 -9.020 7.281 1.00 0.00 C ATOM 134 O TYR A 11 -0.239 -8.792 8.175 1.00 0.00 O ATOM 135 CB TYR A 11 2.666 -8.392 8.509 1.00 0.00 C ATOM 136 CG TYR A 11 2.937 -9.821 8.922 1.00 0.00 C ATOM 137 CD1 TYR A 11 1.911 -10.649 9.361 1.00 0.00 C ATOM 138 CD2 TYR A 11 4.226 -10.340 8.884 1.00 0.00 C ATOM 139 CE1 TYR A 11 2.161 -11.952 9.747 1.00 0.00 C ATOM 140 CE2 TYR A 11 4.484 -11.641 9.270 1.00 0.00 C ATOM 141 CZ TYR A 11 3.448 -12.443 9.700 1.00 0.00 C ATOM 142 OH TYR A 11 3.700 -13.739 10.087 1.00 0.00 O ATOM 0 H TYR A 11 1.394 -6.285 7.766 1.00 0.00 H new ATOM 0 HA TYR A 11 2.474 -8.652 6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.617 -7.869 8.411 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.111 -7.896 9.306 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.901 -10.268 9.401 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.040 -9.715 8.547 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.352 -12.583 10.084 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.492 -12.028 9.235 1.00 0.00 H new ATOM 0 HH TYR A 11 3.174 -14.354 9.534 1.00 0.00 H new ATOM 152 N VAL A 12 0.381 -9.945 6.345 1.00 0.00 N ATOM 153 CA VAL A 12 -0.827 -10.763 6.315 1.00 0.00 C ATOM 154 C VAL A 12 -0.498 -12.252 6.410 1.00 0.00 C ATOM 155 O VAL A 12 0.020 -12.843 5.462 1.00 0.00 O ATOM 156 CB VAL A 12 -1.659 -10.492 5.047 1.00 0.00 C ATOM 157 CG1 VAL A 12 -2.980 -11.241 5.103 1.00 0.00 C ATOM 158 CG2 VAL A 12 -1.891 -8.997 4.877 1.00 0.00 C ATOM 0 H VAL A 12 1.045 -10.147 5.598 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.419 -10.483 7.186 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.102 -10.854 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.553 -11.036 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.788 -12.311 5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.548 -10.913 5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.480 -8.820 3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.428 -8.611 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.931 -8.488 4.788 1.00 0.00 H new ATOM 168 N GLY A 13 -0.813 -12.858 7.550 1.00 0.00 N ATOM 169 CA GLY A 13 -0.554 -14.277 7.738 1.00 0.00 C ATOM 170 C GLY A 13 0.891 -14.664 7.476 1.00 0.00 C ATOM 171 O GLY A 13 1.813 -14.060 8.024 1.00 0.00 O ATOM 0 H GLY A 13 -1.244 -12.393 8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.818 -14.555 8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.202 -14.849 7.074 1.00 0.00 H new ATOM 175 N ASN A 14 1.087 -15.683 6.639 1.00 0.00 N ATOM 176 CA ASN A 14 2.428 -16.164 6.308 1.00 0.00 C ATOM 177 C ASN A 14 3.015 -15.421 5.107 1.00 0.00 C ATOM 178 O ASN A 14 4.023 -15.841 4.543 1.00 0.00 O ATOM 179 CB ASN A 14 2.393 -17.666 6.020 1.00 0.00 C ATOM 180 CG ASN A 14 1.750 -18.453 7.144 1.00 0.00 C ATOM 181 OD1 ASN A 14 0.808 -19.215 6.925 1.00 0.00 O ATOM 182 ND2 ASN A 14 2.258 -18.275 8.358 1.00 0.00 N ATOM 0 H ASN A 14 0.333 -16.192 6.177 1.00 0.00 H new ATOM 0 HA ASN A 14 3.068 -15.971 7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.844 -17.844 5.095 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.409 -18.027 5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.867 -18.780 9.153 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.039 -17.634 8.495 1.00 0.00 H new ATOM 189 N TYR A 15 2.386 -14.314 4.729 1.00 0.00 N ATOM 190 CA TYR A 15 2.849 -13.504 3.606 1.00 0.00 C ATOM 191 C TYR A 15 2.932 -12.041 4.030 1.00 0.00 C ATOM 192 O TYR A 15 1.964 -11.488 4.554 1.00 0.00 O ATOM 193 CB TYR A 15 1.887 -13.619 2.421 1.00 0.00 C ATOM 194 CG TYR A 15 2.048 -14.862 1.572 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.200 -15.640 1.611 1.00 0.00 C ATOM 196 CD2 TYR A 15 1.024 -15.257 0.725 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.318 -16.771 0.826 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.135 -16.384 -0.058 1.00 0.00 C ATOM 199 CZ TYR A 15 2.284 -17.139 -0.006 1.00 0.00 C ATOM 200 OH TYR A 15 2.400 -18.267 -0.786 1.00 0.00 O ATOM 0 H TYR A 15 1.548 -13.954 5.187 1.00 0.00 H new ATOM 0 HA TYR A 15 3.832 -13.867 3.305 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.865 -13.588 2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.017 -12.745 1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.013 -15.357 2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.120 -14.668 0.678 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.219 -17.365 0.865 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.324 -16.674 -0.710 1.00 0.00 H new ATOM 0 HH TYR A 15 1.583 -18.385 -1.314 1.00 0.00 H new ATOM 210 N LYS A 16 4.075 -11.412 3.804 1.00 0.00 N ATOM 211 CA LYS A 16 4.249 -10.010 4.168 1.00 0.00 C ATOM 212 C LYS A 16 4.548 -9.167 2.935 1.00 0.00 C ATOM 213 O LYS A 16 5.591 -9.333 2.302 1.00 0.00 O ATOM 214 CB LYS A 16 5.376 -9.860 5.191 1.00 0.00 C ATOM 215 CG LYS A 16 5.433 -8.484 5.834 1.00 0.00 C ATOM 216 CD LYS A 16 6.866 -8.048 6.092 1.00 0.00 C ATOM 217 CE LYS A 16 7.078 -6.585 5.733 1.00 0.00 C ATOM 218 NZ LYS A 16 7.939 -5.888 6.728 1.00 0.00 N ATOM 0 H LYS A 16 4.892 -11.844 3.373 1.00 0.00 H new ATOM 0 HA LYS A 16 3.319 -9.656 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.251 -10.611 5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.329 -10.064 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.942 -7.758 5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.881 -8.497 6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.111 -8.205 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.547 -8.669 5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.535 -6.516 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.113 -6.082 5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.059 -4.894 6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.491 -5.931 7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.869 -6.351 6.767 1.00 0.00 H new ATOM 232 N VAL A 17 3.635 -8.260 2.593 1.00 0.00 N ATOM 233 CA VAL A 17 3.834 -7.405 1.429 1.00 0.00 C ATOM 234 C VAL A 17 4.308 -6.015 1.846 1.00 0.00 C ATOM 235 O VAL A 17 3.641 -5.315 2.610 1.00 0.00 O ATOM 236 CB VAL A 17 2.551 -7.305 0.550 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.614 -8.475 0.819 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.811 -5.988 0.753 1.00 0.00 C ATOM 0 H VAL A 17 2.763 -8.101 3.098 1.00 0.00 H new ATOM 0 HA VAL A 17 4.611 -7.870 0.822 1.00 0.00 H new ATOM 0 HB VAL A 17 2.881 -7.343 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.726 -8.382 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.124 -9.410 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.320 -8.472 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.925 -5.967 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.512 -5.896 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.466 -5.158 0.488 1.00 0.00 H new ATOM 248 N VAL A 18 5.472 -5.629 1.336 1.00 0.00 N ATOM 249 CA VAL A 18 6.055 -4.328 1.641 1.00 0.00 C ATOM 250 C VAL A 18 6.622 -3.673 0.384 1.00 0.00 C ATOM 251 O VAL A 18 6.877 -4.347 -0.616 1.00 0.00 O ATOM 252 CB VAL A 18 7.163 -4.447 2.707 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.316 -5.295 2.195 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.653 -3.070 3.129 1.00 0.00 C ATOM 0 H VAL A 18 6.033 -6.202 0.706 1.00 0.00 H new ATOM 0 HA VAL A 18 5.255 -3.702 2.037 1.00 0.00 H new ATOM 0 HB VAL A 18 6.741 -4.942 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.086 -5.365 2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.953 -6.294 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.737 -4.835 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.434 -3.177 3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.054 -2.545 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.823 -2.500 3.546 1.00 0.00 H new ATOM 264 N ASN A 19 6.828 -2.361 0.441 1.00 0.00 N ATOM 265 CA ASN A 19 7.381 -1.626 -0.691 1.00 0.00 C ATOM 266 C ASN A 19 8.753 -2.182 -1.067 1.00 0.00 C ATOM 267 O ASN A 19 9.538 -2.555 -0.196 1.00 0.00 O ATOM 268 CB ASN A 19 7.494 -0.137 -0.355 1.00 0.00 C ATOM 269 CG ASN A 19 6.145 0.556 -0.350 1.00 0.00 C ATOM 270 OD1 ASN A 19 5.368 0.421 0.595 1.00 0.00 O ATOM 271 ND2 ASN A 19 5.862 1.307 -1.408 1.00 0.00 N ATOM 0 H ASN A 19 6.621 -1.786 1.257 1.00 0.00 H new ATOM 0 HA ASN A 19 6.709 -1.745 -1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.963 -0.022 0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.147 0.348 -1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.971 1.800 -1.460 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.536 1.391 -2.169 1.00 0.00 H new ATOM 278 N ARG A 20 9.031 -2.249 -2.365 1.00 0.00 N ATOM 279 CA ARG A 20 10.305 -2.776 -2.844 1.00 0.00 C ATOM 280 C ARG A 20 11.482 -2.013 -2.242 1.00 0.00 C ATOM 281 O ARG A 20 12.440 -2.612 -1.755 1.00 0.00 O ATOM 282 CB ARG A 20 10.368 -2.714 -4.373 1.00 0.00 C ATOM 283 CG ARG A 20 10.271 -1.305 -4.938 1.00 0.00 C ATOM 284 CD ARG A 20 11.645 -0.662 -5.069 1.00 0.00 C ATOM 285 NE ARG A 20 12.118 -0.655 -6.452 1.00 0.00 N ATOM 286 CZ ARG A 20 11.846 0.311 -7.328 1.00 0.00 C ATOM 287 NH1 ARG A 20 11.095 1.347 -6.976 1.00 0.00 N ATOM 288 NH2 ARG A 20 12.325 0.238 -8.562 1.00 0.00 N ATOM 0 H ARG A 20 8.394 -1.946 -3.102 1.00 0.00 H new ATOM 0 HA ARG A 20 10.375 -3.816 -2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.302 -3.165 -4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.558 -3.316 -4.785 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.788 -1.336 -5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.642 -0.694 -4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.603 0.361 -4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.358 -1.201 -4.445 1.00 0.00 H new ATOM 0 HE ARG A 20 12.692 -1.438 -6.766 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.721 1.408 -6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.891 2.083 -7.653 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.901 -0.557 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.118 0.977 -9.234 1.00 0.00 H new ATOM 302 N HIS A 21 11.405 -0.690 -2.266 1.00 0.00 N ATOM 303 CA HIS A 21 12.468 0.138 -1.715 1.00 0.00 C ATOM 304 C HIS A 21 12.538 0.006 -0.194 1.00 0.00 C ATOM 305 O HIS A 21 13.477 0.496 0.433 1.00 0.00 O ATOM 306 CB HIS A 21 12.254 1.602 -2.101 1.00 0.00 C ATOM 307 CG HIS A 21 10.930 2.148 -1.669 1.00 0.00 C ATOM 308 ND1 HIS A 21 10.771 2.940 -0.551 1.00 0.00 N ATOM 309 CD2 HIS A 21 9.696 2.015 -2.210 1.00 0.00 C ATOM 310 CE1 HIS A 21 9.497 3.268 -0.423 1.00 0.00 C ATOM 311 NE2 HIS A 21 8.825 2.720 -1.417 1.00 0.00 N ATOM 0 H HIS A 21 10.621 -0.169 -2.659 1.00 0.00 H new ATOM 0 HA HIS A 21 13.413 -0.209 -2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 21 13.048 2.205 -1.660 1.00 0.00 H new ATOM 0 HB3 HIS A 21 12.343 1.700 -3.183 1.00 0.00 H new ATOM 0 HD1 HIS A 21 11.520 3.228 0.079 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.444 1.458 -3.100 1.00 0.00 H new ATOM 0 HE1 HIS A 21 9.078 3.880 0.362 1.00 0.00 H new ATOM 320 N LEU A 22 11.537 -0.646 0.398 1.00 0.00 N ATOM 321 CA LEU A 22 11.497 -0.818 1.845 1.00 0.00 C ATOM 322 C LEU A 22 11.608 -2.287 2.262 1.00 0.00 C ATOM 323 O LEU A 22 11.544 -2.593 3.452 1.00 0.00 O ATOM 324 CB LEU A 22 10.206 -0.220 2.408 1.00 0.00 C ATOM 325 CG LEU A 22 10.330 0.383 3.810 1.00 0.00 C ATOM 326 CD1 LEU A 22 10.485 1.894 3.729 1.00 0.00 C ATOM 327 CD2 LEU A 22 9.123 0.013 4.659 1.00 0.00 C ATOM 0 H LEU A 22 10.749 -1.060 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 22 12.361 -0.295 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.854 0.554 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.442 -0.997 2.429 1.00 0.00 H new ATOM 0 HG LEU A 22 11.221 -0.028 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.572 2.305 4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.381 2.138 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.613 2.323 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.229 0.450 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.217 0.395 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.058 -1.072 4.745 1.00 0.00 H new ATOM 339 N ALA A 23 11.771 -3.199 1.302 1.00 0.00 N ATOM 340 CA ALA A 23 11.881 -4.614 1.640 1.00 0.00 C ATOM 341 C ALA A 23 13.326 -4.998 1.942 1.00 0.00 C ATOM 342 O ALA A 23 14.235 -4.685 1.174 1.00 0.00 O ATOM 343 CB ALA A 23 11.318 -5.475 0.521 1.00 0.00 C ATOM 0 H ALA A 23 11.829 -2.988 0.306 1.00 0.00 H new ATOM 0 HA ALA A 23 11.294 -4.792 2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.409 -6.527 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.267 -5.229 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.874 -5.287 -0.398 1.00 0.00 H new ATOM 349 N THR A 24 13.528 -5.673 3.070 1.00 0.00 N ATOM 350 CA THR A 24 14.863 -6.099 3.480 1.00 0.00 C ATOM 351 C THR A 24 15.332 -7.283 2.644 1.00 0.00 C ATOM 352 O THR A 24 14.530 -7.948 1.991 1.00 0.00 O ATOM 353 CB THR A 24 14.868 -6.471 4.963 1.00 0.00 C ATOM 354 OG1 THR A 24 14.099 -7.638 5.191 1.00 0.00 O ATOM 355 CG2 THR A 24 14.320 -5.378 5.856 1.00 0.00 C ATOM 0 H THR A 24 12.785 -5.937 3.717 1.00 0.00 H new ATOM 0 HA THR A 24 15.550 -5.268 3.320 1.00 0.00 H new ATOM 0 HB THR A 24 15.916 -6.634 5.216 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.186 -7.497 4.865 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.352 -5.707 6.895 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.924 -4.478 5.741 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.289 -5.162 5.575 1.00 0.00 H new ATOM 363 N HIS A 25 16.636 -7.544 2.668 1.00 0.00 N ATOM 364 CA HIS A 25 17.208 -8.646 1.901 1.00 0.00 C ATOM 365 C HIS A 25 16.499 -9.957 2.218 1.00 0.00 C ATOM 366 O HIS A 25 16.406 -10.845 1.370 1.00 0.00 O ATOM 367 CB HIS A 25 18.703 -8.779 2.198 1.00 0.00 C ATOM 368 CG HIS A 25 19.460 -7.497 2.045 1.00 0.00 C ATOM 369 ND1 HIS A 25 20.060 -7.112 0.865 1.00 0.00 N ATOM 370 CD2 HIS A 25 19.714 -6.507 2.935 1.00 0.00 C ATOM 371 CE1 HIS A 25 20.651 -5.942 1.034 1.00 0.00 C ATOM 372 NE2 HIS A 25 20.456 -5.554 2.281 1.00 0.00 N ATOM 0 H HIS A 25 17.315 -7.009 3.209 1.00 0.00 H new ATOM 0 HA HIS A 25 17.071 -8.427 0.842 1.00 0.00 H new ATOM 0 HB2 HIS A 25 18.831 -9.148 3.216 1.00 0.00 H new ATOM 0 HB3 HIS A 25 19.132 -9.527 1.531 1.00 0.00 H new ATOM 0 HD2 HIS A 25 19.393 -6.474 3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 25 21.200 -5.396 0.281 1.00 0.00 H new ATOM 0 HE2 HIS A 25 20.801 -4.687 2.692 1.00 0.00 H new ATOM 381 N VAL A 26 15.993 -10.070 3.438 1.00 0.00 N ATOM 382 CA VAL A 26 15.283 -11.269 3.857 1.00 0.00 C ATOM 383 C VAL A 26 13.936 -11.376 3.151 1.00 0.00 C ATOM 384 O VAL A 26 13.458 -12.476 2.871 1.00 0.00 O ATOM 385 CB VAL A 26 15.057 -11.288 5.381 1.00 0.00 C ATOM 386 CG1 VAL A 26 14.481 -12.626 5.819 1.00 0.00 C ATOM 387 CG2 VAL A 26 16.353 -10.991 6.118 1.00 0.00 C ATOM 0 H VAL A 26 16.061 -9.347 4.154 1.00 0.00 H new ATOM 0 HA VAL A 26 15.906 -12.121 3.584 1.00 0.00 H new ATOM 0 HB VAL A 26 14.337 -10.509 5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.328 -12.621 6.898 1.00 0.00 H new ATOM 0 HG12 VAL A 26 13.527 -12.793 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.174 -13.425 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.173 -11.009 7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.098 -11.745 5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.719 -10.006 5.828 1.00 0.00 H new ATOM 397 N ASP A 27 13.329 -10.228 2.854 1.00 0.00 N ATOM 398 CA ASP A 27 12.047 -10.204 2.172 1.00 0.00 C ATOM 399 C ASP A 27 12.215 -10.701 0.751 1.00 0.00 C ATOM 400 O ASP A 27 11.422 -11.503 0.260 1.00 0.00 O ATOM 401 CB ASP A 27 11.467 -8.786 2.169 1.00 0.00 C ATOM 402 CG ASP A 27 10.720 -8.466 3.449 1.00 0.00 C ATOM 403 OD1 ASP A 27 9.797 -9.229 3.805 1.00 0.00 O ATOM 404 OD2 ASP A 27 11.057 -7.451 4.095 1.00 0.00 O ATOM 0 H ASP A 27 13.707 -9.307 3.076 1.00 0.00 H new ATOM 0 HA ASP A 27 11.354 -10.858 2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.274 -8.066 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.793 -8.674 1.320 1.00 0.00 H new ATOM 409 N TRP A 28 13.268 -10.224 0.096 1.00 0.00 N ATOM 410 CA TRP A 28 13.554 -10.629 -1.266 1.00 0.00 C ATOM 411 C TRP A 28 14.108 -12.049 -1.301 1.00 0.00 C ATOM 412 O TRP A 28 13.867 -12.800 -2.245 1.00 0.00 O ATOM 413 CB TRP A 28 14.522 -9.655 -1.938 1.00 0.00 C ATOM 414 CG TRP A 28 14.031 -8.239 -1.928 1.00 0.00 C ATOM 415 CD1 TRP A 28 13.978 -7.409 -0.852 1.00 0.00 C ATOM 416 CD2 TRP A 28 13.512 -7.492 -3.035 1.00 0.00 C ATOM 417 NE1 TRP A 28 13.478 -6.188 -1.217 1.00 0.00 N ATOM 418 CE2 TRP A 28 13.177 -6.213 -2.549 1.00 0.00 C ATOM 419 CE3 TRP A 28 13.301 -7.773 -4.387 1.00 0.00 C ATOM 420 CZ2 TRP A 28 12.642 -5.221 -3.359 1.00 0.00 C ATOM 421 CZ3 TRP A 28 12.769 -6.785 -5.196 1.00 0.00 C ATOM 422 CH2 TRP A 28 12.444 -5.522 -4.680 1.00 0.00 C ATOM 0 H TRP A 28 13.933 -9.558 0.489 1.00 0.00 H new ATOM 0 HA TRP A 28 12.618 -10.612 -1.825 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.486 -9.703 -1.432 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.687 -9.969 -2.969 1.00 0.00 H new ATOM 0 HD1 TRP A 28 14.286 -7.675 0.148 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.351 -5.389 -0.595 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.548 -8.743 -4.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.391 -4.248 -2.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.601 -6.990 -6.243 1.00 0.00 H new ATOM 0 HH2 TRP A 28 12.029 -4.772 -5.337 1.00 0.00 H new ATOM 433 N GLN A 29 14.853 -12.407 -0.258 1.00 0.00 N ATOM 434 CA GLN A 29 15.446 -13.736 -0.154 1.00 0.00 C ATOM 435 C GLN A 29 14.371 -14.815 -0.239 1.00 0.00 C ATOM 436 O GLN A 29 14.532 -15.815 -0.937 1.00 0.00 O ATOM 437 CB GLN A 29 16.217 -13.865 1.162 1.00 0.00 C ATOM 438 CG GLN A 29 16.852 -15.230 1.369 1.00 0.00 C ATOM 439 CD GLN A 29 18.174 -15.376 0.642 1.00 0.00 C ATOM 440 OE1 GLN A 29 18.344 -16.268 -0.189 1.00 0.00 O ATOM 441 NE2 GLN A 29 19.120 -14.497 0.952 1.00 0.00 N ATOM 0 H GLN A 29 15.060 -11.792 0.529 1.00 0.00 H new ATOM 0 HA GLN A 29 16.136 -13.872 -0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.996 -13.104 1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.539 -13.660 1.991 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.008 -15.396 2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.165 -16.002 1.023 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.936 -13.774 1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.031 -14.545 0.495 1.00 0.00 H new ATOM 450 N ASN A 30 13.269 -14.596 0.472 1.00 0.00 N ATOM 451 CA ASN A 30 12.159 -15.541 0.474 1.00 0.00 C ATOM 452 C ASN A 30 10.926 -14.913 -0.167 1.00 0.00 C ATOM 453 O ASN A 30 9.793 -15.227 0.197 1.00 0.00 O ATOM 454 CB ASN A 30 11.841 -15.985 1.905 1.00 0.00 C ATOM 455 CG ASN A 30 12.364 -17.376 2.207 1.00 0.00 C ATOM 456 OD1 ASN A 30 13.572 -17.599 2.268 1.00 0.00 O ATOM 457 ND2 ASN A 30 11.451 -18.323 2.396 1.00 0.00 N ATOM 0 H ASN A 30 13.122 -13.772 1.054 1.00 0.00 H new ATOM 0 HA ASN A 30 12.448 -16.416 -0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.277 -15.275 2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.762 -15.964 2.058 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.742 -19.279 2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.459 -18.094 2.336 1.00 0.00 H new ATOM 464 N CYS A 31 11.159 -14.019 -1.123 1.00 0.00 N ATOM 465 CA CYS A 31 10.074 -13.337 -1.817 1.00 0.00 C ATOM 466 C CYS A 31 9.355 -14.281 -2.775 1.00 0.00 C ATOM 467 O CYS A 31 9.977 -14.911 -3.631 1.00 0.00 O ATOM 468 CB CYS A 31 10.616 -12.124 -2.580 1.00 0.00 C ATOM 469 SG CYS A 31 9.436 -11.361 -3.720 1.00 0.00 S ATOM 0 H CYS A 31 12.092 -13.750 -1.435 1.00 0.00 H new ATOM 0 HA CYS A 31 9.355 -12.998 -1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.941 -11.374 -1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.498 -12.430 -3.142 1.00 0.00 H new ATOM 0 HG CYS A 31 8.243 -11.410 -3.206 1.00 0.00 H new ATOM 475 N VAL A 32 8.039 -14.360 -2.628 1.00 0.00 N ATOM 476 CA VAL A 32 7.223 -15.209 -3.480 1.00 0.00 C ATOM 477 C VAL A 32 6.776 -14.449 -4.727 1.00 0.00 C ATOM 478 O VAL A 32 6.766 -14.999 -5.828 1.00 0.00 O ATOM 479 CB VAL A 32 5.978 -15.733 -2.733 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.376 -16.710 -1.638 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.178 -14.582 -2.148 1.00 0.00 C ATOM 0 H VAL A 32 7.514 -13.843 -1.923 1.00 0.00 H new ATOM 0 HA VAL A 32 7.839 -16.060 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 32 5.351 -16.260 -3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.482 -17.066 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.902 -17.556 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.029 -16.209 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.305 -14.974 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.800 -14.025 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.854 -13.919 -2.950 1.00 0.00 H new ATOM 491 N TRP A 33 6.405 -13.181 -4.547 1.00 0.00 N ATOM 492 CA TRP A 33 5.956 -12.353 -5.668 1.00 0.00 C ATOM 493 C TRP A 33 6.502 -10.929 -5.558 1.00 0.00 C ATOM 494 O TRP A 33 6.782 -10.442 -4.463 1.00 0.00 O ATOM 495 CB TRP A 33 4.421 -12.344 -5.733 1.00 0.00 C ATOM 496 CG TRP A 33 3.833 -11.083 -6.298 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.408 -10.870 -7.578 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.608 -9.862 -5.591 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.932 -9.585 -7.708 1.00 0.00 N ATOM 500 CE2 TRP A 33 3.045 -8.947 -6.500 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.830 -9.456 -4.276 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.703 -7.647 -6.127 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.491 -8.170 -3.910 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.933 -7.280 -4.833 1.00 0.00 C ATOM 0 H TRP A 33 6.406 -12.707 -3.644 1.00 0.00 H new ATOM 0 HA TRP A 33 6.345 -12.784 -6.590 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.090 -13.188 -6.338 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.026 -12.497 -4.729 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.441 -11.602 -8.372 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.557 -9.175 -8.563 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.260 -10.137 -3.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.272 -6.956 -6.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.659 -7.845 -2.894 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.678 -6.280 -4.515 1.00 0.00 H new ATOM 515 N GLU A 34 6.648 -10.267 -6.703 1.00 0.00 N ATOM 516 CA GLU A 34 7.154 -8.898 -6.740 1.00 0.00 C ATOM 517 C GLU A 34 6.723 -8.190 -8.024 1.00 0.00 C ATOM 518 O GLU A 34 7.064 -8.622 -9.125 1.00 0.00 O ATOM 519 CB GLU A 34 8.679 -8.893 -6.629 1.00 0.00 C ATOM 520 CG GLU A 34 9.288 -7.500 -6.654 1.00 0.00 C ATOM 521 CD GLU A 34 10.081 -7.231 -7.918 1.00 0.00 C ATOM 522 OE1 GLU A 34 11.006 -8.016 -8.217 1.00 0.00 O ATOM 523 OE2 GLU A 34 9.779 -6.236 -8.608 1.00 0.00 O ATOM 0 H GLU A 34 6.423 -10.657 -7.618 1.00 0.00 H new ATOM 0 HA GLU A 34 6.732 -8.359 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.969 -9.390 -5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.096 -9.477 -7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.494 -6.759 -6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.939 -7.377 -5.788 1.00 0.00 H new ATOM 530 N ASP A 35 5.973 -7.101 -7.874 1.00 0.00 N ATOM 531 CA ASP A 35 5.497 -6.334 -9.022 1.00 0.00 C ATOM 532 C ASP A 35 6.247 -5.011 -9.149 1.00 0.00 C ATOM 533 O ASP A 35 6.181 -4.161 -8.260 1.00 0.00 O ATOM 534 CB ASP A 35 3.994 -6.071 -8.899 1.00 0.00 C ATOM 535 CG ASP A 35 3.166 -7.070 -9.683 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.535 -7.370 -10.839 1.00 0.00 O ATOM 537 OD2 ASP A 35 2.151 -7.555 -9.143 1.00 0.00 O ATOM 0 H ASP A 35 5.682 -6.730 -6.969 1.00 0.00 H new ATOM 0 HA ASP A 35 5.686 -6.923 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.706 -6.110 -7.848 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.774 -5.064 -9.253 1.00 0.00 H new ATOM 542 N TYR A 36 6.958 -4.845 -10.261 1.00 0.00 N ATOM 543 CA TYR A 36 7.721 -3.627 -10.506 1.00 0.00 C ATOM 544 C TYR A 36 6.795 -2.433 -10.726 1.00 0.00 C ATOM 545 O TYR A 36 7.092 -1.319 -10.296 1.00 0.00 O ATOM 546 CB TYR A 36 8.646 -3.804 -11.713 1.00 0.00 C ATOM 547 CG TYR A 36 7.976 -4.435 -12.914 1.00 0.00 C ATOM 548 CD1 TYR A 36 7.285 -3.658 -13.835 1.00 0.00 C ATOM 549 CD2 TYR A 36 8.037 -5.807 -13.128 1.00 0.00 C ATOM 550 CE1 TYR A 36 6.673 -4.230 -14.935 1.00 0.00 C ATOM 551 CE2 TYR A 36 7.430 -6.385 -14.226 1.00 0.00 C ATOM 552 CZ TYR A 36 6.749 -5.593 -15.126 1.00 0.00 C ATOM 553 OH TYR A 36 6.142 -6.166 -16.219 1.00 0.00 O ATOM 0 H TYR A 36 7.021 -5.539 -11.006 1.00 0.00 H new ATOM 0 HA TYR A 36 8.329 -3.432 -9.622 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.042 -2.830 -12.001 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.496 -4.419 -11.419 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.225 -2.590 -13.689 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.568 -6.431 -12.424 1.00 0.00 H new ATOM 0 HE1 TYR A 36 6.138 -3.612 -15.641 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.489 -7.453 -14.379 1.00 0.00 H new ATOM 0 HH TYR A 36 6.291 -7.134 -16.206 1.00 0.00 H new ATOM 563 N ASN A 37 5.669 -2.672 -11.393 1.00 0.00 N ATOM 564 CA ASN A 37 4.704 -1.613 -11.661 1.00 0.00 C ATOM 565 C ASN A 37 4.003 -1.177 -10.375 1.00 0.00 C ATOM 566 O ASN A 37 3.334 -0.145 -10.343 1.00 0.00 O ATOM 567 CB ASN A 37 3.671 -2.084 -12.686 1.00 0.00 C ATOM 568 CG ASN A 37 4.313 -2.558 -13.975 1.00 0.00 C ATOM 569 OD1 ASN A 37 5.239 -1.931 -14.488 1.00 0.00 O ATOM 570 ND2 ASN A 37 3.821 -3.672 -14.506 1.00 0.00 N ATOM 0 H ASN A 37 5.404 -3.587 -11.756 1.00 0.00 H new ATOM 0 HA ASN A 37 5.243 -0.757 -12.067 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.081 -2.894 -12.258 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.982 -1.268 -12.905 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.212 -4.040 -15.373 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.052 -4.160 -14.046 1.00 0.00 H new ATOM 577 N ARG A 38 4.161 -1.966 -9.316 1.00 0.00 N ATOM 578 CA ARG A 38 3.542 -1.650 -8.035 1.00 0.00 C ATOM 579 C ARG A 38 4.597 -1.412 -6.956 1.00 0.00 C ATOM 580 O ARG A 38 4.268 -1.024 -5.835 1.00 0.00 O ATOM 581 CB ARG A 38 2.609 -2.783 -7.605 1.00 0.00 C ATOM 582 CG ARG A 38 1.314 -2.838 -8.398 1.00 0.00 C ATOM 583 CD ARG A 38 1.335 -3.960 -9.424 1.00 0.00 C ATOM 584 NE ARG A 38 -0.005 -4.285 -9.907 1.00 0.00 N ATOM 585 CZ ARG A 38 -0.245 -4.954 -11.032 1.00 0.00 C ATOM 586 NH1 ARG A 38 0.760 -5.373 -11.791 1.00 0.00 N ATOM 587 NH2 ARG A 38 -1.495 -5.206 -11.400 1.00 0.00 N ATOM 0 H ARG A 38 4.710 -2.825 -9.320 1.00 0.00 H new ATOM 0 HA ARG A 38 2.965 -0.734 -8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.132 -3.733 -7.712 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.373 -2.667 -6.547 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.475 -2.982 -7.717 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.155 -1.885 -8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.963 -3.670 -10.266 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.786 -4.848 -8.981 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.803 -3.981 -9.349 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.723 -5.183 -11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.570 -5.885 -12.652 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.271 -4.887 -10.821 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.679 -5.719 -12.262 1.00 0.00 H new ATOM 601 N ASP A 39 5.866 -1.650 -7.292 1.00 0.00 N ATOM 602 CA ASP A 39 6.954 -1.464 -6.338 1.00 0.00 C ATOM 603 C ASP A 39 6.643 -2.188 -5.034 1.00 0.00 C ATOM 604 O ASP A 39 6.967 -1.708 -3.948 1.00 0.00 O ATOM 605 CB ASP A 39 7.178 0.026 -6.069 1.00 0.00 C ATOM 606 CG ASP A 39 8.129 0.660 -7.065 1.00 0.00 C ATOM 607 OD1 ASP A 39 8.449 0.006 -8.080 1.00 0.00 O ATOM 608 OD2 ASP A 39 8.554 1.811 -6.831 1.00 0.00 O ATOM 0 H ASP A 39 6.162 -1.970 -8.214 1.00 0.00 H new ATOM 0 HA ASP A 39 7.864 -1.884 -6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.221 0.546 -6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.574 0.154 -5.062 1.00 0.00 H new ATOM 613 N LEU A 40 5.998 -3.343 -5.155 1.00 0.00 N ATOM 614 CA LEU A 40 5.621 -4.136 -3.993 1.00 0.00 C ATOM 615 C LEU A 40 5.995 -5.602 -4.189 1.00 0.00 C ATOM 616 O LEU A 40 6.067 -6.090 -5.317 1.00 0.00 O ATOM 617 CB LEU A 40 4.116 -4.003 -3.748 1.00 0.00 C ATOM 618 CG LEU A 40 3.556 -4.862 -2.614 1.00 0.00 C ATOM 619 CD1 LEU A 40 4.015 -4.332 -1.264 1.00 0.00 C ATOM 620 CD2 LEU A 40 2.035 -4.901 -2.686 1.00 0.00 C ATOM 0 H LEU A 40 5.725 -3.751 -6.049 1.00 0.00 H new ATOM 0 HA LEU A 40 6.164 -3.763 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.891 -2.958 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.591 -4.260 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 40 3.935 -5.878 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.606 -4.957 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.104 -4.351 -1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.664 -3.308 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.648 -5.516 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.640 -3.889 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.727 -5.326 -3.641 1.00 0.00 H new ATOM 632 N LEU A 41 6.226 -6.302 -3.083 1.00 0.00 N ATOM 633 CA LEU A 41 6.586 -7.718 -3.137 1.00 0.00 C ATOM 634 C LEU A 41 6.056 -8.476 -1.924 1.00 0.00 C ATOM 635 O LEU A 41 5.816 -7.891 -0.869 1.00 0.00 O ATOM 636 CB LEU A 41 8.111 -7.913 -3.281 1.00 0.00 C ATOM 637 CG LEU A 41 9.028 -7.435 -2.127 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.958 -6.339 -2.617 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.251 -6.950 -0.912 1.00 0.00 C ATOM 0 H LEU A 41 6.171 -5.915 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 41 6.112 -8.134 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.297 -8.976 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.427 -7.401 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 41 9.608 -8.301 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.597 -6.011 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.576 -6.722 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.369 -5.496 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.949 -6.629 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.615 -6.112 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.632 -7.761 -0.528 1.00 0.00 H new ATOM 651 N VAL A 42 5.872 -9.781 -2.085 1.00 0.00 N ATOM 652 CA VAL A 42 5.375 -10.618 -1.004 1.00 0.00 C ATOM 653 C VAL A 42 6.427 -11.634 -0.597 1.00 0.00 C ATOM 654 O VAL A 42 6.992 -12.330 -1.442 1.00 0.00 O ATOM 655 CB VAL A 42 4.064 -11.359 -1.393 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.733 -12.487 -0.411 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.901 -10.381 -1.471 1.00 0.00 C ATOM 0 H VAL A 42 6.060 -10.281 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 42 5.153 -9.958 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 42 4.225 -11.806 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.810 -12.979 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.546 -13.213 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.607 -12.073 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.992 -10.917 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.762 -9.903 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.114 -9.621 -2.223 1.00 0.00 H new ATOM 667 N SER A 43 6.669 -11.713 0.705 1.00 0.00 N ATOM 668 CA SER A 43 7.635 -12.647 1.257 1.00 0.00 C ATOM 669 C SER A 43 6.954 -13.539 2.286 1.00 0.00 C ATOM 670 O SER A 43 5.910 -13.181 2.831 1.00 0.00 O ATOM 671 CB SER A 43 8.805 -11.896 1.895 1.00 0.00 C ATOM 672 OG SER A 43 8.524 -11.554 3.242 1.00 0.00 O ATOM 0 H SER A 43 6.203 -11.134 1.403 1.00 0.00 H new ATOM 0 HA SER A 43 8.028 -13.267 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.702 -12.514 1.854 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.014 -10.991 1.324 1.00 0.00 H new ATOM 0 HG SER A 43 8.977 -10.715 3.468 1.00 0.00 H new ATOM 678 N THR A 44 7.528 -14.705 2.537 1.00 0.00 N ATOM 679 CA THR A 44 6.943 -15.639 3.488 1.00 0.00 C ATOM 680 C THR A 44 7.598 -15.535 4.858 1.00 0.00 C ATOM 681 O THR A 44 8.796 -15.274 4.974 1.00 0.00 O ATOM 682 CB THR A 44 7.044 -17.059 2.948 1.00 0.00 C ATOM 683 OG1 THR A 44 8.386 -17.511 2.952 1.00 0.00 O ATOM 684 CG2 THR A 44 6.519 -17.168 1.538 1.00 0.00 C ATOM 0 H THR A 44 8.392 -15.026 2.100 1.00 0.00 H new ATOM 0 HA THR A 44 5.892 -15.379 3.614 1.00 0.00 H new ATOM 0 HB THR A 44 6.435 -17.677 3.607 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.424 -18.426 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.611 -18.198 1.194 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.471 -16.870 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.096 -16.514 0.884 1.00 0.00 H new ATOM 692 N THR A 45 6.789 -15.728 5.893 1.00 0.00 N ATOM 693 CA THR A 45 7.260 -15.646 7.268 1.00 0.00 C ATOM 694 C THR A 45 6.624 -16.737 8.126 1.00 0.00 C ATOM 695 O THR A 45 5.712 -17.435 7.683 1.00 0.00 O ATOM 696 CB THR A 45 6.937 -14.266 7.849 1.00 0.00 C ATOM 697 OG1 THR A 45 6.984 -14.292 9.266 1.00 0.00 O ATOM 698 CG2 THR A 45 5.571 -13.741 7.445 1.00 0.00 C ATOM 0 H THR A 45 5.796 -15.944 5.803 1.00 0.00 H new ATOM 0 HA THR A 45 8.340 -15.794 7.272 1.00 0.00 H new ATOM 0 HB THR A 45 7.697 -13.601 7.439 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.935 -13.376 9.612 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.411 -12.760 7.893 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.520 -13.657 6.359 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.800 -14.429 7.792 1.00 0.00 H new ATOM 706 N THR A 46 7.110 -16.878 9.356 1.00 0.00 N ATOM 707 CA THR A 46 6.587 -17.882 10.274 1.00 0.00 C ATOM 708 C THR A 46 6.129 -17.240 11.581 1.00 0.00 C ATOM 709 O THR A 46 6.664 -17.533 12.651 1.00 0.00 O ATOM 710 CB THR A 46 7.650 -18.947 10.556 1.00 0.00 C ATOM 711 OG1 THR A 46 7.122 -19.981 11.366 1.00 0.00 O ATOM 712 CG2 THR A 46 8.876 -18.397 11.252 1.00 0.00 C ATOM 0 H THR A 46 7.865 -16.309 9.739 1.00 0.00 H new ATOM 0 HA THR A 46 5.725 -18.356 9.804 1.00 0.00 H new ATOM 0 HB THR A 46 7.947 -19.326 9.578 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.859 -19.613 12.235 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.590 -19.203 11.422 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.336 -17.631 10.628 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.587 -17.960 12.208 1.00 0.00 H new ATOM 720 N ALA A 47 5.136 -16.362 11.487 1.00 0.00 N ATOM 721 CA ALA A 47 4.608 -15.677 12.661 1.00 0.00 C ATOM 722 C ALA A 47 3.082 -15.661 12.644 1.00 0.00 C ATOM 723 O ALA A 47 2.453 -16.281 11.788 1.00 0.00 O ATOM 724 CB ALA A 47 5.153 -14.258 12.733 1.00 0.00 C ATOM 0 H ALA A 47 4.681 -16.108 10.610 1.00 0.00 H new ATOM 0 HA ALA A 47 4.930 -16.223 13.548 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.751 -13.758 13.614 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.241 -14.289 12.798 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.859 -13.709 11.838 1.00 0.00 H new ATOM 730 N HIS A 48 2.493 -14.946 13.599 1.00 0.00 N ATOM 731 CA HIS A 48 1.042 -14.849 13.694 1.00 0.00 C ATOM 732 C HIS A 48 0.524 -13.653 12.900 1.00 0.00 C ATOM 733 O HIS A 48 1.160 -12.599 12.862 1.00 0.00 O ATOM 734 CB HIS A 48 0.614 -14.732 15.160 1.00 0.00 C ATOM 735 CG HIS A 48 -0.383 -15.768 15.575 1.00 0.00 C ATOM 736 ND1 HIS A 48 -1.747 -15.565 15.521 1.00 0.00 N ATOM 737 CD2 HIS A 48 -0.211 -17.023 16.056 1.00 0.00 C ATOM 738 CE1 HIS A 48 -2.369 -16.649 15.950 1.00 0.00 C ATOM 739 NE2 HIS A 48 -1.460 -17.547 16.280 1.00 0.00 N ATOM 0 H HIS A 48 2.999 -14.426 14.316 1.00 0.00 H new ATOM 0 HA HIS A 48 0.611 -15.756 13.269 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.496 -14.813 15.795 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.189 -13.742 15.328 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.733 -17.519 16.231 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.439 -16.778 16.019 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.654 -18.480 16.643 1.00 0.00 H new ATOM 748 N GLY A 49 -0.631 -13.825 12.266 1.00 0.00 N ATOM 749 CA GLY A 49 -1.212 -12.751 11.481 1.00 0.00 C ATOM 750 C GLY A 49 -1.535 -11.529 12.317 1.00 0.00 C ATOM 751 O GLY A 49 -1.667 -11.620 13.537 1.00 0.00 O ATOM 0 H GLY A 49 -1.175 -14.688 12.281 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.520 -12.471 10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.122 -13.109 11.000 1.00 0.00 H new ATOM 755 N CYS A 50 -1.663 -10.381 11.657 1.00 0.00 N ATOM 756 CA CYS A 50 -1.972 -9.134 12.346 1.00 0.00 C ATOM 757 C CYS A 50 -2.921 -8.273 11.517 1.00 0.00 C ATOM 758 O CYS A 50 -3.907 -7.748 12.033 1.00 0.00 O ATOM 759 CB CYS A 50 -0.686 -8.358 12.643 1.00 0.00 C ATOM 760 SG CYS A 50 -0.600 -7.687 14.319 1.00 0.00 S ATOM 0 H CYS A 50 -1.557 -10.290 10.647 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.464 -9.381 13.287 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.168 -9.016 12.482 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.596 -7.539 11.930 1.00 0.00 H new ATOM 0 HG CYS A 50 0.523 -7.051 14.475 1.00 0.00 H new ATOM 766 N ASP A 51 -2.617 -8.133 10.230 1.00 0.00 N ATOM 767 CA ASP A 51 -3.443 -7.335 9.332 1.00 0.00 C ATOM 768 C ASP A 51 -4.309 -8.227 8.447 1.00 0.00 C ATOM 769 O ASP A 51 -3.872 -9.288 8.000 1.00 0.00 O ATOM 770 CB ASP A 51 -2.566 -6.433 8.461 1.00 0.00 C ATOM 771 CG ASP A 51 -1.547 -5.658 9.273 1.00 0.00 C ATOM 772 OD1 ASP A 51 -1.961 -4.842 10.123 1.00 0.00 O ATOM 773 OD2 ASP A 51 -0.334 -5.868 9.060 1.00 0.00 O ATOM 0 H ASP A 51 -1.805 -8.562 9.786 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.098 -6.714 9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.049 -7.041 7.719 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.199 -5.734 7.915 1.00 0.00 H new ATOM 778 N THR A 52 -5.536 -7.784 8.194 1.00 0.00 N ATOM 779 CA THR A 52 -6.467 -8.534 7.357 1.00 0.00 C ATOM 780 C THR A 52 -6.878 -7.703 6.149 1.00 0.00 C ATOM 781 O THR A 52 -7.430 -6.612 6.294 1.00 0.00 O ATOM 782 CB THR A 52 -7.703 -8.934 8.164 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.336 -9.697 9.299 1.00 0.00 O ATOM 784 CG2 THR A 52 -8.700 -9.748 7.367 1.00 0.00 C ATOM 0 H THR A 52 -5.910 -6.907 8.557 1.00 0.00 H new ATOM 0 HA THR A 52 -5.968 -9.438 7.008 1.00 0.00 H new ATOM 0 HB THR A 52 -8.174 -7.995 8.455 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.140 -9.942 9.803 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.553 -9.999 7.998 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.041 -9.167 6.510 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.225 -10.665 7.018 1.00 0.00 H new ATOM 792 N ILE A 53 -6.607 -8.220 4.955 1.00 0.00 N ATOM 793 CA ILE A 53 -6.952 -7.510 3.728 1.00 0.00 C ATOM 794 C ILE A 53 -8.449 -7.588 3.457 1.00 0.00 C ATOM 795 O ILE A 53 -9.073 -8.630 3.652 1.00 0.00 O ATOM 796 CB ILE A 53 -6.212 -8.049 2.486 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.785 -8.518 2.817 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.186 -6.982 1.402 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.726 -7.439 2.694 1.00 0.00 C ATOM 0 H ILE A 53 -6.153 -9.122 4.811 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.642 -6.478 3.893 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.757 -8.922 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.771 -8.909 3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.524 -9.343 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.663 -7.366 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.207 -6.717 1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.670 -6.097 1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.751 -7.856 2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.707 -7.063 1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.958 -6.622 3.377 1.00 0.00 H new ATOM 811 N ALA A 54 -9.018 -6.478 3.003 1.00 0.00 N ATOM 812 CA ALA A 54 -10.440 -6.418 2.701 1.00 0.00 C ATOM 813 C ALA A 54 -10.699 -6.687 1.224 1.00 0.00 C ATOM 814 O ALA A 54 -10.116 -6.040 0.354 1.00 0.00 O ATOM 815 CB ALA A 54 -11.006 -5.063 3.100 1.00 0.00 C ATOM 0 H ALA A 54 -8.514 -5.607 2.836 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.943 -7.194 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.071 -5.031 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.862 -4.909 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.491 -4.277 2.548 1.00 0.00 H new ATOM 821 N ARG A 55 -11.584 -7.638 0.947 1.00 0.00 N ATOM 822 CA ARG A 55 -11.931 -7.985 -0.426 1.00 0.00 C ATOM 823 C ARG A 55 -13.142 -7.184 -0.890 1.00 0.00 C ATOM 824 O ARG A 55 -13.974 -7.678 -1.651 1.00 0.00 O ATOM 825 CB ARG A 55 -12.220 -9.481 -0.545 1.00 0.00 C ATOM 826 CG ARG A 55 -11.492 -10.149 -1.698 1.00 0.00 C ATOM 827 CD ARG A 55 -12.294 -10.055 -2.985 1.00 0.00 C ATOM 828 NE ARG A 55 -13.445 -10.955 -2.976 1.00 0.00 N ATOM 829 CZ ARG A 55 -14.579 -10.721 -3.634 1.00 0.00 C ATOM 830 NH1 ARG A 55 -14.720 -9.624 -4.368 1.00 0.00 N ATOM 831 NH2 ARG A 55 -15.577 -11.592 -3.559 1.00 0.00 N ATOM 0 H ARG A 55 -12.075 -8.183 1.656 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.081 -7.740 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.938 -9.973 0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.293 -9.627 -0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.519 -9.678 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.308 -11.196 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.636 -9.030 -3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.651 -10.296 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.376 -11.815 -2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.956 -8.951 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.592 -9.454 -4.868 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.475 -12.438 -2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.447 -11.416 -4.062 1.00 0.00 H new ATOM 845 N CYS A 56 -13.233 -5.945 -0.420 1.00 0.00 N ATOM 846 CA CYS A 56 -14.342 -5.070 -0.776 1.00 0.00 C ATOM 847 C CYS A 56 -13.935 -4.098 -1.878 1.00 0.00 C ATOM 848 O CYS A 56 -12.749 -3.863 -2.106 1.00 0.00 O ATOM 849 CB CYS A 56 -14.813 -4.294 0.454 1.00 0.00 C ATOM 850 SG CYS A 56 -13.522 -3.263 1.225 1.00 0.00 S ATOM 0 H CYS A 56 -12.550 -5.524 0.210 1.00 0.00 H new ATOM 0 HA CYS A 56 -15.160 -5.688 -1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.650 -3.656 0.169 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.188 -5.001 1.194 1.00 0.00 H new ATOM 855 N GLN A 57 -14.930 -3.539 -2.559 1.00 0.00 N ATOM 856 CA GLN A 57 -14.677 -2.593 -3.640 1.00 0.00 C ATOM 857 C GLN A 57 -15.198 -1.205 -3.287 1.00 0.00 C ATOM 858 O GLN A 57 -15.669 -0.469 -4.155 1.00 0.00 O ATOM 859 CB GLN A 57 -15.333 -3.082 -4.934 1.00 0.00 C ATOM 860 CG GLN A 57 -14.549 -2.727 -6.186 1.00 0.00 C ATOM 861 CD GLN A 57 -14.909 -1.359 -6.731 1.00 0.00 C ATOM 862 OE1 GLN A 57 -14.192 -0.382 -6.511 1.00 0.00 O ATOM 863 NE2 GLN A 57 -16.025 -1.281 -7.447 1.00 0.00 N ATOM 0 H GLN A 57 -15.917 -3.724 -2.382 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.599 -2.528 -3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.452 -4.164 -4.885 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -16.333 -2.655 -5.008 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.482 -2.756 -5.963 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -14.735 -3.480 -6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.589 -2.116 -7.605 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.318 -0.386 -7.839 1.00 0.00 H new ATOM 872 N CYS A 58 -15.110 -0.847 -2.009 1.00 0.00 N ATOM 873 CA CYS A 58 -15.572 0.458 -1.550 1.00 0.00 C ATOM 874 C CYS A 58 -14.844 1.577 -2.286 1.00 0.00 C ATOM 875 O CYS A 58 -13.614 1.614 -2.319 1.00 0.00 O ATOM 876 CB CYS A 58 -15.355 0.610 -0.044 1.00 0.00 C ATOM 877 SG CYS A 58 -16.177 -0.662 0.968 1.00 0.00 S ATOM 0 H CYS A 58 -14.724 -1.441 -1.275 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.639 0.528 -1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.285 0.584 0.161 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -15.715 1.591 0.265 1.00 0.00 H new ATOM 882 N THR A 59 -15.609 2.491 -2.871 1.00 0.00 N ATOM 883 CA THR A 59 -15.029 3.612 -3.600 1.00 0.00 C ATOM 884 C THR A 59 -14.334 4.579 -2.647 1.00 0.00 C ATOM 885 O THR A 59 -13.521 5.403 -3.068 1.00 0.00 O ATOM 886 CB THR A 59 -16.110 4.353 -4.388 1.00 0.00 C ATOM 887 OG1 THR A 59 -17.101 3.451 -4.850 1.00 0.00 O ATOM 888 CG2 THR A 59 -15.570 5.097 -5.589 1.00 0.00 C ATOM 0 H THR A 59 -16.629 2.478 -2.855 1.00 0.00 H new ATOM 0 HA THR A 59 -14.289 3.214 -4.295 1.00 0.00 H new ATOM 0 HB THR A 59 -16.530 5.078 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.784 3.944 -5.350 1.00 0.00 H new ATOM 0 HG21 THR A 59 -16.389 5.601 -6.103 1.00 0.00 H new ATOM 0 HG22 THR A 59 -14.839 5.836 -5.261 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.093 4.392 -6.270 1.00 0.00 H new ATOM 896 N THR A 60 -14.659 4.480 -1.360 1.00 0.00 N ATOM 897 CA THR A 60 -14.063 5.351 -0.357 1.00 0.00 C ATOM 898 C THR A 60 -13.517 4.549 0.820 1.00 0.00 C ATOM 899 O THR A 60 -14.019 3.471 1.141 1.00 0.00 O ATOM 900 CB THR A 60 -15.091 6.369 0.139 1.00 0.00 C ATOM 901 OG1 THR A 60 -14.629 7.019 1.309 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.437 5.755 0.455 1.00 0.00 C ATOM 0 H THR A 60 -15.330 3.807 -0.991 1.00 0.00 H new ATOM 0 HA THR A 60 -13.231 5.878 -0.825 1.00 0.00 H new ATOM 0 HB THR A 60 -15.216 7.076 -0.681 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.697 7.295 1.184 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.119 6.532 0.801 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.844 5.289 -0.442 1.00 0.00 H new ATOM 0 HG23 THR A 60 -16.319 5.002 1.234 1.00 0.00 H new ATOM 910 N GLY A 61 -12.485 5.089 1.456 1.00 0.00 N ATOM 911 CA GLY A 61 -11.873 4.429 2.594 1.00 0.00 C ATOM 912 C GLY A 61 -11.179 5.417 3.507 1.00 0.00 C ATOM 913 O GLY A 61 -11.608 6.565 3.622 1.00 0.00 O ATOM 0 H GLY A 61 -12.058 5.980 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.636 3.889 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.153 3.690 2.242 1.00 0.00 H new ATOM 917 N VAL A 62 -10.102 4.985 4.154 1.00 0.00 N ATOM 918 CA VAL A 62 -9.361 5.861 5.051 1.00 0.00 C ATOM 919 C VAL A 62 -7.856 5.654 4.913 1.00 0.00 C ATOM 920 O VAL A 62 -7.351 4.542 5.073 1.00 0.00 O ATOM 921 CB VAL A 62 -9.777 5.651 6.521 1.00 0.00 C ATOM 922 CG1 VAL A 62 -9.552 4.207 6.945 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.030 6.611 7.435 1.00 0.00 C ATOM 0 H VAL A 62 -9.726 4.040 4.075 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.605 6.883 4.762 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.842 5.864 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.852 4.082 7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.146 3.546 6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.496 3.957 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.339 6.445 8.467 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.957 6.439 7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.258 7.638 7.148 1.00 0.00 H new ATOM 933 N TYR A 63 -7.147 6.739 4.612 1.00 0.00 N ATOM 934 CA TYR A 63 -5.700 6.688 4.449 1.00 0.00 C ATOM 935 C TYR A 63 -4.993 7.063 5.747 1.00 0.00 C ATOM 936 O TYR A 63 -5.629 7.494 6.709 1.00 0.00 O ATOM 937 CB TYR A 63 -5.261 7.625 3.317 1.00 0.00 C ATOM 938 CG TYR A 63 -5.445 9.097 3.626 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.619 9.743 4.537 1.00 0.00 C ATOM 940 CD2 TYR A 63 -6.442 9.841 3.002 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.779 11.086 4.820 1.00 0.00 C ATOM 942 CE2 TYR A 63 -6.607 11.185 3.281 1.00 0.00 C ATOM 943 CZ TYR A 63 -5.773 11.802 4.189 1.00 0.00 C ATOM 944 OH TYR A 63 -5.935 13.140 4.468 1.00 0.00 O ATOM 0 H TYR A 63 -7.553 7.665 4.476 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.421 5.666 4.191 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.210 7.440 3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.826 7.380 2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.838 9.186 5.033 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.096 9.361 2.289 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.128 11.572 5.532 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.386 11.749 2.790 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.587 13.247 5.192 1.00 0.00 H new ATOM 954 N PHE A 64 -3.676 6.894 5.767 1.00 0.00 N ATOM 955 CA PHE A 64 -2.883 7.216 6.947 1.00 0.00 C ATOM 956 C PHE A 64 -2.151 8.542 6.764 1.00 0.00 C ATOM 957 O PHE A 64 -1.380 8.710 5.819 1.00 0.00 O ATOM 958 CB PHE A 64 -1.878 6.097 7.231 1.00 0.00 C ATOM 959 CG PHE A 64 -1.997 5.519 8.613 1.00 0.00 C ATOM 960 CD1 PHE A 64 -1.467 6.187 9.705 1.00 0.00 C ATOM 961 CD2 PHE A 64 -2.640 4.309 8.819 1.00 0.00 C ATOM 962 CE1 PHE A 64 -1.576 5.659 10.977 1.00 0.00 C ATOM 963 CE2 PHE A 64 -2.752 3.776 10.089 1.00 0.00 C ATOM 964 CZ PHE A 64 -2.220 4.451 11.170 1.00 0.00 C ATOM 0 H PHE A 64 -3.135 6.536 4.980 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.559 7.311 7.796 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.017 5.301 6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.868 6.483 7.093 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.963 7.131 9.560 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.058 3.777 7.978 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.158 6.190 11.820 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.255 2.832 10.236 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.307 4.036 12.163 1.00 0.00 H new ATOM 974 N CYS A 65 -2.398 9.481 7.673 1.00 0.00 N ATOM 975 CA CYS A 65 -1.760 10.790 7.607 1.00 0.00 C ATOM 976 C CYS A 65 -0.404 10.773 8.304 1.00 0.00 C ATOM 977 O CYS A 65 -0.223 10.095 9.315 1.00 0.00 O ATOM 978 CB CYS A 65 -2.662 11.852 8.240 1.00 0.00 C ATOM 979 SG CYS A 65 -2.728 13.406 7.319 1.00 0.00 S ATOM 0 H CYS A 65 -3.034 9.359 8.461 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.602 11.037 6.557 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.672 11.451 8.328 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.311 12.056 9.252 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.954 13.837 7.283 1.00 0.00 H new ATOM 985 N ALA A 66 0.546 11.523 7.755 1.00 0.00 N ATOM 986 CA ALA A 66 1.887 11.595 8.325 1.00 0.00 C ATOM 987 C ALA A 66 2.004 12.750 9.312 1.00 0.00 C ATOM 988 O ALA A 66 2.577 12.602 10.392 1.00 0.00 O ATOM 989 CB ALA A 66 2.922 11.737 7.219 1.00 0.00 C ATOM 0 H ALA A 66 0.413 12.089 6.917 1.00 0.00 H new ATOM 0 HA ALA A 66 2.074 10.669 8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.918 11.790 7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.864 10.876 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.726 12.647 6.652 1.00 0.00 H new ATOM 995 N SER A 67 1.457 13.902 8.936 1.00 0.00 N ATOM 996 CA SER A 67 1.499 15.083 9.791 1.00 0.00 C ATOM 997 C SER A 67 0.410 15.022 10.856 1.00 0.00 C ATOM 998 O SER A 67 0.677 15.202 12.044 1.00 0.00 O ATOM 999 CB SER A 67 1.338 16.352 8.952 1.00 0.00 C ATOM 1000 OG SER A 67 1.906 17.473 9.607 1.00 0.00 O ATOM 0 H SER A 67 0.980 14.043 8.046 1.00 0.00 H new ATOM 0 HA SER A 67 2.468 15.106 10.289 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.816 16.213 7.982 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.280 16.535 8.763 1.00 0.00 H new ATOM 0 HG SER A 67 1.791 18.271 9.049 1.00 0.00 H new ATOM 1006 N LYS A 68 -0.820 14.766 10.422 1.00 0.00 N ATOM 1007 CA LYS A 68 -1.952 14.679 11.336 1.00 0.00 C ATOM 1008 C LYS A 68 -1.803 13.491 12.283 1.00 0.00 C ATOM 1009 O LYS A 68 -2.379 13.478 13.371 1.00 0.00 O ATOM 1010 CB LYS A 68 -3.260 14.557 10.552 1.00 0.00 C ATOM 1011 CG LYS A 68 -3.549 15.755 9.662 1.00 0.00 C ATOM 1012 CD LYS A 68 -4.554 16.698 10.305 1.00 0.00 C ATOM 1013 CE LYS A 68 -4.134 18.152 10.150 1.00 0.00 C ATOM 1014 NZ LYS A 68 -3.629 18.724 11.429 1.00 0.00 N ATOM 0 H LYS A 68 -1.058 14.615 9.442 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.974 15.593 11.930 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.223 13.658 9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.084 14.429 11.254 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.622 16.292 9.461 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.934 15.412 8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.534 16.551 9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.654 16.458 11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.358 18.226 9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.983 18.740 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.353 19.716 11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.377 18.677 12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.803 18.180 11.751 1.00 0.00 H new ATOM 1028 N SER A 69 -1.030 12.491 11.863 1.00 0.00 N ATOM 1029 CA SER A 69 -0.815 11.298 12.676 1.00 0.00 C ATOM 1030 C SER A 69 -2.145 10.648 13.047 1.00 0.00 C ATOM 1031 O SER A 69 -2.256 9.966 14.065 1.00 0.00 O ATOM 1032 CB SER A 69 -0.035 11.653 13.944 1.00 0.00 C ATOM 1033 OG SER A 69 0.697 12.855 13.773 1.00 0.00 O ATOM 0 H SER A 69 -0.544 12.484 10.966 1.00 0.00 H new ATOM 0 HA SER A 69 -0.234 10.587 12.089 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.725 11.760 14.781 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.647 10.841 14.195 1.00 0.00 H new ATOM 0 HG SER A 69 1.185 13.061 14.597 1.00 0.00 H new ATOM 1039 N LYS A 70 -3.154 10.874 12.211 1.00 0.00 N ATOM 1040 CA LYS A 70 -4.484 10.322 12.441 1.00 0.00 C ATOM 1041 C LYS A 70 -5.047 9.713 11.164 1.00 0.00 C ATOM 1042 O LYS A 70 -4.487 9.884 10.080 1.00 0.00 O ATOM 1043 CB LYS A 70 -5.437 11.402 12.954 1.00 0.00 C ATOM 1044 CG LYS A 70 -4.900 12.178 14.146 1.00 0.00 C ATOM 1045 CD LYS A 70 -5.147 13.668 13.990 1.00 0.00 C ATOM 1046 CE LYS A 70 -6.569 14.041 14.371 1.00 0.00 C ATOM 1047 NZ LYS A 70 -6.687 15.478 14.745 1.00 0.00 N ATOM 0 H LYS A 70 -3.075 11.438 11.365 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.392 9.540 13.195 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.650 12.100 12.144 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.383 10.937 13.231 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.377 11.822 15.059 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.831 11.993 14.251 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.445 14.221 14.614 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.957 13.963 12.958 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.236 13.828 13.536 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.895 13.421 15.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.673 15.691 14.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.070 15.677 15.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.400 16.071 13.940 1.00 0.00 H new ATOM 1061 N HIS A 71 -6.159 9.004 11.302 1.00 0.00 N ATOM 1062 CA HIS A 71 -6.808 8.371 10.160 1.00 0.00 C ATOM 1063 C HIS A 71 -7.716 9.368 9.449 1.00 0.00 C ATOM 1064 O HIS A 71 -8.504 10.068 10.085 1.00 0.00 O ATOM 1065 CB HIS A 71 -7.616 7.152 10.612 1.00 0.00 C ATOM 1066 CG HIS A 71 -8.450 7.400 11.832 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -9.750 7.854 11.774 1.00 0.00 N ATOM 1068 CD2 HIS A 71 -8.162 7.252 13.147 1.00 0.00 C ATOM 1069 CE1 HIS A 71 -10.226 7.977 13.002 1.00 0.00 C ATOM 1070 NE2 HIS A 71 -9.283 7.616 13.852 1.00 0.00 N ATOM 0 H HIS A 71 -6.631 8.852 12.193 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.037 8.039 9.464 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.266 6.836 9.796 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.932 6.328 10.812 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.226 6.911 13.564 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.218 8.315 13.264 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.372 7.609 14.868 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.594 9.436 8.127 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.398 10.359 7.335 1.00 0.00 C ATOM 1081 C TYR A 72 -9.218 9.611 6.285 1.00 0.00 C ATOM 1082 O TYR A 72 -8.659 9.023 5.359 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.490 11.380 6.643 1.00 0.00 C ATOM 1084 CG TYR A 72 -7.518 12.755 7.272 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -6.954 12.981 8.523 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -8.104 13.828 6.613 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -6.975 14.238 9.098 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -8.128 15.087 7.181 1.00 0.00 C ATOM 1089 CZ TYR A 72 -7.564 15.287 8.423 1.00 0.00 C ATOM 1090 OH TYR A 72 -7.587 16.540 8.991 1.00 0.00 O ATOM 0 H TYR A 72 -6.948 8.864 7.583 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.084 10.874 8.008 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.466 11.007 6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.786 11.464 5.597 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.492 12.161 9.054 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.548 13.676 5.640 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.533 14.398 10.070 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.587 15.911 6.654 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.612 16.456 9.967 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.559 9.627 6.402 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.438 8.956 5.448 1.00 0.00 C ATOM 1102 C PRO A 73 -11.563 9.747 4.150 1.00 0.00 C ATOM 1103 O PRO A 73 -11.984 10.904 4.158 1.00 0.00 O ATOM 1104 CB PRO A 73 -12.793 8.885 6.173 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.560 9.441 7.544 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.328 10.295 7.454 1.00 0.00 C ATOM 0 HA PRO A 73 -11.058 7.976 5.160 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.550 9.462 5.642 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.154 7.858 6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.416 10.029 7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.424 8.639 8.270 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.566 11.326 7.191 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.784 10.325 8.398 1.00 0.00 H new ATOM 1114 N VAL A 74 -11.185 9.126 3.037 1.00 0.00 N ATOM 1115 CA VAL A 74 -11.248 9.789 1.740 1.00 0.00 C ATOM 1116 C VAL A 74 -11.810 8.869 0.661 1.00 0.00 C ATOM 1117 O VAL A 74 -11.737 7.645 0.771 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.850 10.291 1.304 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -9.015 9.164 0.708 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -9.974 11.442 0.322 1.00 0.00 C ATOM 0 H VAL A 74 -10.833 8.169 3.007 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.919 10.640 1.855 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.335 10.651 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.040 9.551 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.883 8.377 1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.524 8.757 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.980 11.779 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.519 11.110 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.512 12.265 0.792 1.00 0.00 H new ATOM 1130 N SER A 75 -12.349 9.472 -0.392 1.00 0.00 N ATOM 1131 CA SER A 75 -12.901 8.717 -1.509 1.00 0.00 C ATOM 1132 C SER A 75 -11.871 8.627 -2.627 1.00 0.00 C ATOM 1133 O SER A 75 -11.379 9.648 -3.108 1.00 0.00 O ATOM 1134 CB SER A 75 -14.181 9.377 -2.023 1.00 0.00 C ATOM 1135 OG SER A 75 -13.951 10.730 -2.379 1.00 0.00 O ATOM 0 H SER A 75 -12.415 10.485 -0.495 1.00 0.00 H new ATOM 0 HA SER A 75 -13.147 7.712 -1.166 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.554 8.829 -2.888 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.953 9.326 -1.256 1.00 0.00 H new ATOM 0 HG SER A 75 -13.022 10.838 -2.671 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.533 7.408 -3.034 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.545 7.216 -4.091 1.00 0.00 C ATOM 1143 C PHE A 76 -11.100 6.381 -5.239 1.00 0.00 C ATOM 1144 O PHE A 76 -12.108 5.689 -5.099 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.260 6.559 -3.554 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.314 6.139 -2.110 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -10.255 5.225 -1.668 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.412 6.663 -1.196 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -10.295 4.840 -0.342 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.449 6.285 0.130 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.391 5.371 0.560 1.00 0.00 C ATOM 0 H PHE A 76 -11.923 6.546 -2.653 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.302 8.209 -4.468 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.036 5.683 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.432 7.257 -3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.965 4.809 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.671 7.376 -1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.032 4.124 -0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.742 6.703 0.831 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.422 5.072 1.597 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.407 6.447 -6.370 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.784 5.697 -7.559 1.00 0.00 C ATOM 1163 C GLU A 77 -9.740 4.621 -7.825 1.00 0.00 C ATOM 1164 O GLU A 77 -8.616 4.719 -7.337 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.905 6.629 -8.767 1.00 0.00 C ATOM 1166 CG GLU A 77 -12.126 6.350 -9.629 1.00 0.00 C ATOM 1167 CD GLU A 77 -13.213 7.391 -9.456 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -13.267 8.021 -8.378 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -14.013 7.577 -10.398 1.00 0.00 O ATOM 0 H GLU A 77 -9.571 7.020 -6.487 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.754 5.229 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.945 7.661 -8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.008 6.535 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.826 6.314 -10.676 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.526 5.368 -9.378 1.00 0.00 H new ATOM 1176 N GLY A 78 -10.113 3.589 -8.573 1.00 0.00 N ATOM 1177 CA GLY A 78 -9.181 2.511 -8.854 1.00 0.00 C ATOM 1178 C GLY A 78 -8.622 2.539 -10.267 1.00 0.00 C ATOM 1179 O GLY A 78 -8.883 1.626 -11.051 1.00 0.00 O ATOM 0 H GLY A 78 -11.038 3.479 -8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.355 2.563 -8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.682 1.557 -8.690 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.834 3.570 -10.628 1.00 0.00 N ATOM 1184 CA PRO A 79 -7.242 3.671 -11.964 1.00 0.00 C ATOM 1185 C PRO A 79 -6.190 2.591 -12.207 1.00 0.00 C ATOM 1186 O PRO A 79 -5.338 2.322 -11.350 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.599 5.060 -11.973 1.00 0.00 C ATOM 1188 CG PRO A 79 -6.351 5.376 -10.541 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.455 4.705 -9.770 1.00 0.00 C ATOM 0 HA PRO A 79 -7.984 3.533 -12.750 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.671 5.062 -12.545 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.258 5.797 -12.432 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -5.375 5.009 -10.224 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -6.356 6.453 -10.373 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.114 4.371 -8.790 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.295 5.379 -9.603 1.00 0.00 H new ATOM 1197 N GLY A 80 -6.266 1.970 -13.379 1.00 0.00 N ATOM 1198 CA GLY A 80 -5.333 0.919 -13.731 1.00 0.00 C ATOM 1199 C GLY A 80 -3.891 1.386 -13.739 1.00 0.00 C ATOM 1200 O GLY A 80 -3.184 1.250 -12.744 1.00 0.00 O ATOM 0 H GLY A 80 -6.962 2.178 -14.095 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.439 0.095 -13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.588 0.529 -14.716 1.00 0.00 H new ATOM 1204 N LEU A 81 -3.449 1.923 -14.872 1.00 0.00 N ATOM 1205 CA LEU A 81 -2.076 2.391 -15.000 1.00 0.00 C ATOM 1206 C LEU A 81 -1.947 3.888 -14.747 1.00 0.00 C ATOM 1207 O LEU A 81 -2.522 4.706 -15.466 1.00 0.00 O ATOM 1208 CB LEU A 81 -1.528 2.063 -16.385 1.00 0.00 C ATOM 1209 CG LEU A 81 -0.052 1.659 -16.414 1.00 0.00 C ATOM 1210 CD1 LEU A 81 0.778 2.524 -15.475 1.00 0.00 C ATOM 1211 CD2 LEU A 81 0.104 0.187 -16.065 1.00 0.00 C ATOM 0 H LEU A 81 -4.019 2.044 -15.709 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.495 1.871 -14.238 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.120 1.253 -16.812 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.665 2.932 -17.029 1.00 0.00 H new ATOM 0 HG LEU A 81 0.319 1.818 -17.427 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.821 2.211 -15.519 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.699 3.568 -15.777 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.409 2.412 -14.456 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.160 -0.083 -16.090 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.293 0.006 -15.066 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.443 -0.418 -16.788 1.00 0.00 H new ATOM 1223 N VAL A 82 -1.156 4.236 -13.738 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.903 5.629 -13.400 1.00 0.00 C ATOM 1225 C VAL A 82 0.598 5.894 -13.441 1.00 0.00 C ATOM 1226 O VAL A 82 1.373 5.222 -12.760 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.467 6.000 -12.008 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.083 7.425 -11.631 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -2.979 5.834 -11.994 1.00 0.00 C ATOM 0 H VAL A 82 -0.677 3.566 -13.137 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.414 6.252 -14.134 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.033 5.326 -11.269 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.490 7.664 -10.649 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.003 7.514 -11.605 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.486 8.118 -12.369 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.365 6.098 -11.009 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.424 6.487 -12.745 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.233 4.798 -12.218 1.00 0.00 H new ATOM 1239 N GLU A 83 1.005 6.858 -14.257 1.00 0.00 N ATOM 1240 CA GLU A 83 2.419 7.183 -14.397 1.00 0.00 C ATOM 1241 C GLU A 83 2.946 7.894 -13.158 1.00 0.00 C ATOM 1242 O GLU A 83 2.608 9.048 -12.896 1.00 0.00 O ATOM 1243 CB GLU A 83 2.648 8.053 -15.635 1.00 0.00 C ATOM 1244 CG GLU A 83 1.645 9.186 -15.779 1.00 0.00 C ATOM 1245 CD GLU A 83 2.310 10.540 -15.941 1.00 0.00 C ATOM 1246 OE1 GLU A 83 3.378 10.754 -15.327 1.00 0.00 O ATOM 1247 OE2 GLU A 83 1.765 11.385 -16.680 1.00 0.00 O ATOM 0 H GLU A 83 0.380 7.426 -14.829 1.00 0.00 H new ATOM 0 HA GLU A 83 2.965 6.247 -14.513 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.653 8.472 -15.593 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.602 7.424 -16.524 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.007 8.994 -16.642 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.998 9.206 -14.902 1.00 0.00 H new ATOM 1254 N VAL A 84 3.784 7.191 -12.402 1.00 0.00 N ATOM 1255 CA VAL A 84 4.369 7.751 -11.191 1.00 0.00 C ATOM 1256 C VAL A 84 5.427 8.790 -11.542 1.00 0.00 C ATOM 1257 O VAL A 84 6.465 8.462 -12.117 1.00 0.00 O ATOM 1258 CB VAL A 84 4.996 6.653 -10.291 1.00 0.00 C ATOM 1259 CG1 VAL A 84 5.731 5.610 -11.121 1.00 0.00 C ATOM 1260 CG2 VAL A 84 5.937 7.261 -9.259 1.00 0.00 C ATOM 0 H VAL A 84 4.072 6.234 -12.607 1.00 0.00 H new ATOM 0 HA VAL A 84 3.562 8.226 -10.633 1.00 0.00 H new ATOM 0 HB VAL A 84 4.179 6.159 -9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.159 4.855 -10.461 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.033 5.136 -11.810 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.529 6.091 -11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.362 6.469 -8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.740 7.794 -9.768 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.384 7.956 -8.627 1.00 0.00 H new ATOM 1270 N GLN A 85 5.155 10.041 -11.185 1.00 0.00 N ATOM 1271 CA GLN A 85 6.080 11.136 -11.451 1.00 0.00 C ATOM 1272 C GLN A 85 7.256 11.081 -10.486 1.00 0.00 C ATOM 1273 O GLN A 85 7.116 10.618 -9.354 1.00 0.00 O ATOM 1274 CB GLN A 85 5.364 12.482 -11.327 1.00 0.00 C ATOM 1275 CG GLN A 85 4.812 12.753 -9.937 1.00 0.00 C ATOM 1276 CD GLN A 85 3.460 13.439 -9.970 1.00 0.00 C ATOM 1277 OE1 GLN A 85 3.357 14.644 -9.742 1.00 0.00 O ATOM 1278 NE2 GLN A 85 2.414 12.672 -10.257 1.00 0.00 N ATOM 0 H GLN A 85 4.298 10.322 -10.709 1.00 0.00 H new ATOM 0 HA GLN A 85 6.454 11.031 -12.469 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.058 13.279 -11.595 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.546 12.516 -12.047 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.724 11.811 -9.395 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.517 13.374 -9.385 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.546 11.677 -10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.479 13.078 -10.295 1.00 0.00 H new ATOM 1287 N GLU A 86 8.418 11.544 -10.934 1.00 0.00 N ATOM 1288 CA GLU A 86 9.601 11.525 -10.087 1.00 0.00 C ATOM 1289 C GLU A 86 9.448 12.511 -8.937 1.00 0.00 C ATOM 1290 O GLU A 86 9.625 13.716 -9.107 1.00 0.00 O ATOM 1291 CB GLU A 86 10.848 11.866 -10.905 1.00 0.00 C ATOM 1292 CG GLU A 86 12.111 11.187 -10.399 1.00 0.00 C ATOM 1293 CD GLU A 86 12.874 12.041 -9.406 1.00 0.00 C ATOM 1294 OE1 GLU A 86 13.321 13.142 -9.790 1.00 0.00 O ATOM 1295 OE2 GLU A 86 13.025 11.608 -8.244 1.00 0.00 O ATOM 0 H GLU A 86 8.564 11.932 -11.866 1.00 0.00 H new ATOM 0 HA GLU A 86 9.713 10.521 -9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.682 11.578 -11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.996 12.946 -10.893 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.847 10.239 -9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.758 10.954 -11.245 1.00 0.00 H new ATOM 1302 N SER A 87 9.118 11.983 -7.764 1.00 0.00 N ATOM 1303 CA SER A 87 8.942 12.809 -6.575 1.00 0.00 C ATOM 1304 C SER A 87 9.418 12.077 -5.324 1.00 0.00 C ATOM 1305 O SER A 87 9.428 10.847 -5.285 1.00 0.00 O ATOM 1306 CB SER A 87 7.473 13.214 -6.421 1.00 0.00 C ATOM 1307 OG SER A 87 7.313 14.614 -6.568 1.00 0.00 O ATOM 0 H SER A 87 8.967 10.986 -7.611 1.00 0.00 H new ATOM 0 HA SER A 87 9.547 13.708 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.869 12.695 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.107 12.904 -5.442 1.00 0.00 H new ATOM 0 HG SER A 87 6.367 14.847 -6.467 1.00 0.00 H new ATOM 1313 N GLU A 88 9.792 12.840 -4.302 1.00 0.00 N ATOM 1314 CA GLU A 88 10.253 12.270 -3.038 1.00 0.00 C ATOM 1315 C GLU A 88 11.357 11.231 -3.257 1.00 0.00 C ATOM 1316 O GLU A 88 12.543 11.550 -3.165 1.00 0.00 O ATOM 1317 CB GLU A 88 9.072 11.651 -2.282 1.00 0.00 C ATOM 1318 CG GLU A 88 9.268 11.612 -0.775 1.00 0.00 C ATOM 1319 CD GLU A 88 7.976 11.833 -0.012 1.00 0.00 C ATOM 1320 OE1 GLU A 88 7.184 12.706 -0.426 1.00 0.00 O ATOM 1321 OE2 GLU A 88 7.757 11.134 0.999 1.00 0.00 O ATOM 0 H GLU A 88 9.785 13.860 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 88 10.678 13.075 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.169 12.218 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.910 10.636 -2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.692 10.648 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.991 12.375 -0.487 1.00 0.00 H new ATOM 1328 N TYR A 89 10.965 9.995 -3.553 1.00 0.00 N ATOM 1329 CA TYR A 89 11.925 8.922 -3.788 1.00 0.00 C ATOM 1330 C TYR A 89 11.410 7.953 -4.850 1.00 0.00 C ATOM 1331 O TYR A 89 11.871 6.816 -4.943 1.00 0.00 O ATOM 1332 CB TYR A 89 12.214 8.167 -2.489 1.00 0.00 C ATOM 1333 CG TYR A 89 10.982 7.901 -1.650 1.00 0.00 C ATOM 1334 CD1 TYR A 89 9.909 7.183 -2.163 1.00 0.00 C ATOM 1335 CD2 TYR A 89 10.894 8.368 -0.345 1.00 0.00 C ATOM 1336 CE1 TYR A 89 8.784 6.938 -1.400 1.00 0.00 C ATOM 1337 CE2 TYR A 89 9.773 8.127 0.425 1.00 0.00 C ATOM 1338 CZ TYR A 89 8.720 7.411 -0.107 1.00 0.00 C ATOM 1339 OH TYR A 89 7.601 7.170 0.657 1.00 0.00 O ATOM 0 H TYR A 89 9.989 9.712 -3.636 1.00 0.00 H new ATOM 0 HA TYR A 89 12.850 9.372 -4.149 1.00 0.00 H new ATOM 0 HB2 TYR A 89 12.690 7.217 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.928 8.740 -1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.955 6.810 -3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.716 8.929 0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.958 6.378 -1.815 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.721 8.497 1.438 1.00 0.00 H new ATOM 0 HH TYR A 89 7.718 7.571 1.544 1.00 0.00 H new ATOM 1349 N TYR A 90 10.452 8.412 -5.652 1.00 0.00 N ATOM 1350 CA TYR A 90 9.879 7.587 -6.709 1.00 0.00 C ATOM 1351 C TYR A 90 10.348 8.070 -8.079 1.00 0.00 C ATOM 1352 O TYR A 90 10.453 9.274 -8.313 1.00 0.00 O ATOM 1353 CB TYR A 90 8.349 7.619 -6.637 1.00 0.00 C ATOM 1354 CG TYR A 90 7.743 6.360 -6.061 1.00 0.00 C ATOM 1355 CD1 TYR A 90 7.454 5.271 -6.873 1.00 0.00 C ATOM 1356 CD2 TYR A 90 7.459 6.260 -4.704 1.00 0.00 C ATOM 1357 CE1 TYR A 90 6.900 4.118 -6.350 1.00 0.00 C ATOM 1358 CE2 TYR A 90 6.905 5.110 -4.174 1.00 0.00 C ATOM 1359 CZ TYR A 90 6.627 4.043 -5.001 1.00 0.00 C ATOM 1360 OH TYR A 90 6.075 2.897 -4.476 1.00 0.00 O ATOM 0 H TYR A 90 10.057 9.350 -5.589 1.00 0.00 H new ATOM 0 HA TYR A 90 10.218 6.561 -6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.040 8.471 -6.031 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.950 7.779 -7.639 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.666 5.326 -7.931 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.675 7.094 -4.053 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.682 3.280 -6.995 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.691 5.048 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 90 5.947 3.008 -3.511 1.00 0.00 H new ATOM 1370 N PRO A 91 10.647 7.134 -8.999 1.00 0.00 N ATOM 1371 CA PRO A 91 11.115 7.459 -10.346 1.00 0.00 C ATOM 1372 C PRO A 91 9.973 7.702 -11.329 1.00 0.00 C ATOM 1373 O PRO A 91 8.902 7.106 -11.207 1.00 0.00 O ATOM 1374 CB PRO A 91 11.891 6.206 -10.733 1.00 0.00 C ATOM 1375 CG PRO A 91 11.161 5.094 -10.057 1.00 0.00 C ATOM 1376 CD PRO A 91 10.561 5.674 -8.797 1.00 0.00 C ATOM 0 HA PRO A 91 11.697 8.380 -10.370 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.911 6.069 -11.814 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.927 6.262 -10.400 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.384 4.690 -10.706 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.838 4.273 -9.821 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.529 5.350 -8.661 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.113 5.360 -7.911 1.00 0.00 H new ATOM 1384 N LYS A 92 10.210 8.579 -12.302 1.00 0.00 N ATOM 1385 CA LYS A 92 9.206 8.901 -13.314 1.00 0.00 C ATOM 1386 C LYS A 92 8.903 7.684 -14.188 1.00 0.00 C ATOM 1387 O LYS A 92 9.276 7.640 -15.361 1.00 0.00 O ATOM 1388 CB LYS A 92 9.690 10.063 -14.186 1.00 0.00 C ATOM 1389 CG LYS A 92 8.586 11.033 -14.576 1.00 0.00 C ATOM 1390 CD LYS A 92 8.128 10.815 -16.011 1.00 0.00 C ATOM 1391 CE LYS A 92 8.478 12.001 -16.896 1.00 0.00 C ATOM 1392 NZ LYS A 92 7.707 11.989 -18.170 1.00 0.00 N ATOM 0 H LYS A 92 11.091 9.081 -12.411 1.00 0.00 H new ATOM 0 HA LYS A 92 8.289 9.194 -12.803 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.468 10.608 -13.652 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.146 9.662 -15.091 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.739 10.911 -13.901 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.942 12.056 -14.459 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.593 9.913 -16.409 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.050 10.652 -16.029 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.276 12.927 -16.358 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.545 11.987 -17.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.974 12.813 -18.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.918 11.117 -18.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.689 12.028 -17.960 1.00 0.00 H new ATOM 1406 N ARG A 93 8.235 6.692 -13.606 1.00 0.00 N ATOM 1407 CA ARG A 93 7.896 5.468 -14.328 1.00 0.00 C ATOM 1408 C ARG A 93 6.390 5.198 -14.310 1.00 0.00 C ATOM 1409 O ARG A 93 5.607 6.010 -13.821 1.00 0.00 O ATOM 1410 CB ARG A 93 8.644 4.279 -13.722 1.00 0.00 C ATOM 1411 CG ARG A 93 10.058 4.117 -14.253 1.00 0.00 C ATOM 1412 CD ARG A 93 10.529 2.676 -14.152 1.00 0.00 C ATOM 1413 NE ARG A 93 9.908 1.825 -15.164 1.00 0.00 N ATOM 1414 CZ ARG A 93 10.397 0.646 -15.543 1.00 0.00 C ATOM 1415 NH1 ARG A 93 11.510 0.174 -14.997 1.00 0.00 N ATOM 1416 NH2 ARG A 93 9.769 -0.063 -16.472 1.00 0.00 N ATOM 0 H ARG A 93 7.918 6.711 -12.637 1.00 0.00 H new ATOM 0 HA ARG A 93 8.199 5.601 -15.366 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.683 4.398 -12.639 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.083 3.367 -13.922 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.097 4.441 -15.293 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.734 4.762 -13.692 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.613 2.640 -14.264 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.298 2.288 -13.160 1.00 0.00 H new ATOM 0 HE ARG A 93 9.049 2.153 -15.606 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.997 0.715 -14.282 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.879 -0.730 -15.292 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.913 0.295 -16.895 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.142 -0.966 -16.763 1.00 0.00 H new ATOM 1430 N TYR A 94 6.001 4.049 -14.856 1.00 0.00 N ATOM 1431 CA TYR A 94 4.597 3.651 -14.913 1.00 0.00 C ATOM 1432 C TYR A 94 4.250 2.684 -13.781 1.00 0.00 C ATOM 1433 O TYR A 94 4.970 1.717 -13.537 1.00 0.00 O ATOM 1434 CB TYR A 94 4.290 3.005 -16.262 1.00 0.00 C ATOM 1435 CG TYR A 94 3.891 4.001 -17.321 1.00 0.00 C ATOM 1436 CD1 TYR A 94 4.783 4.973 -17.750 1.00 0.00 C ATOM 1437 CD2 TYR A 94 2.624 3.975 -17.887 1.00 0.00 C ATOM 1438 CE1 TYR A 94 4.426 5.892 -18.714 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.257 4.890 -18.854 1.00 0.00 C ATOM 1440 CZ TYR A 94 3.161 5.848 -19.264 1.00 0.00 C ATOM 1441 OH TYR A 94 2.800 6.763 -20.226 1.00 0.00 O ATOM 0 H TYR A 94 6.644 3.373 -15.268 1.00 0.00 H new ATOM 0 HA TYR A 94 3.987 4.547 -14.794 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.167 2.455 -16.602 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.488 2.278 -16.135 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.774 5.011 -17.322 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.914 3.227 -17.566 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.133 6.642 -19.037 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.268 4.856 -19.287 1.00 0.00 H new ATOM 0 HH TYR A 94 1.877 6.593 -20.509 1.00 0.00 H new ATOM 1451 N GLN A 95 3.139 2.952 -13.097 1.00 0.00 N ATOM 1452 CA GLN A 95 2.696 2.104 -11.993 1.00 0.00 C ATOM 1453 C GLN A 95 1.236 1.694 -12.179 1.00 0.00 C ATOM 1454 O GLN A 95 0.369 2.541 -12.380 1.00 0.00 O ATOM 1455 CB GLN A 95 2.870 2.831 -10.658 1.00 0.00 C ATOM 1456 CG GLN A 95 4.226 2.597 -10.012 1.00 0.00 C ATOM 1457 CD GLN A 95 4.137 2.451 -8.505 1.00 0.00 C ATOM 1458 OE1 GLN A 95 3.931 1.354 -7.988 1.00 0.00 O ATOM 1459 NE2 GLN A 95 4.292 3.562 -7.793 1.00 0.00 N ATOM 0 H GLN A 95 2.531 3.748 -13.288 1.00 0.00 H new ATOM 0 HA GLN A 95 3.311 1.204 -11.987 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.731 3.901 -10.815 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.088 2.505 -9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.675 1.698 -10.434 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.888 3.428 -10.254 1.00 0.00 H new ATOM 0 HE21 GLN A 95 4.461 4.450 -8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.242 3.526 -6.775 1.00 0.00 H new ATOM 1468 N SER A 96 0.973 0.390 -12.124 1.00 0.00 N ATOM 1469 CA SER A 96 -0.384 -0.120 -12.310 1.00 0.00 C ATOM 1470 C SER A 96 -1.072 -0.439 -10.982 1.00 0.00 C ATOM 1471 O SER A 96 -0.420 -0.613 -9.952 1.00 0.00 O ATOM 1472 CB SER A 96 -0.359 -1.371 -13.188 1.00 0.00 C ATOM 1473 OG SER A 96 0.034 -2.510 -12.442 1.00 0.00 O ATOM 0 H SER A 96 1.676 -0.329 -11.953 1.00 0.00 H new ATOM 0 HA SER A 96 -0.958 0.667 -12.799 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.347 -1.537 -13.618 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.330 -1.222 -14.020 1.00 0.00 H new ATOM 0 HG SER A 96 0.493 -3.144 -13.031 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.400 -0.525 -11.033 1.00 0.00 N ATOM 1480 CA HIS A 97 -3.212 -0.838 -9.860 1.00 0.00 C ATOM 1481 C HIS A 97 -2.989 0.165 -8.729 1.00 0.00 C ATOM 1482 O HIS A 97 -2.572 -0.204 -7.630 1.00 0.00 O ATOM 1483 CB HIS A 97 -2.912 -2.260 -9.378 1.00 0.00 C ATOM 1484 CG HIS A 97 -4.100 -3.171 -9.429 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -4.368 -4.116 -8.462 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -5.097 -3.275 -10.341 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -5.476 -4.763 -8.776 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -5.938 -4.271 -9.912 1.00 0.00 N ATOM 0 H HIS A 97 -2.941 -0.380 -11.885 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.259 -0.770 -10.154 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -2.114 -2.682 -9.989 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.540 -2.217 -8.354 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.209 -2.684 -11.238 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.927 -5.559 -8.202 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.783 -4.581 -10.392 1.00 0.00 H new ATOM 1497 N VAL A 98 -3.277 1.438 -8.996 1.00 0.00 N ATOM 1498 CA VAL A 98 -3.109 2.474 -7.980 1.00 0.00 C ATOM 1499 C VAL A 98 -4.414 3.232 -7.747 1.00 0.00 C ATOM 1500 O VAL A 98 -5.164 3.491 -8.685 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.973 3.456 -8.356 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -2.390 4.413 -9.456 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.506 4.239 -7.144 1.00 0.00 C ATOM 0 H VAL A 98 -3.623 1.773 -9.895 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.830 1.976 -7.051 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.147 2.851 -8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.563 5.084 -9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.659 3.847 -10.348 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.248 4.997 -9.124 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.708 4.921 -7.437 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.340 4.810 -6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.134 3.549 -6.386 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.678 3.586 -6.492 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.888 4.319 -6.136 1.00 0.00 C ATOM 1515 C LEU A 99 -5.547 5.762 -5.785 1.00 0.00 C ATOM 1516 O LEU A 99 -4.519 6.024 -5.162 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.595 3.646 -4.958 1.00 0.00 C ATOM 1518 CG LEU A 99 -7.601 2.558 -5.341 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -6.906 1.423 -6.075 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.320 2.038 -4.103 1.00 0.00 C ATOM 0 H LEU A 99 -4.067 3.376 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.559 4.314 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.841 3.208 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.113 4.411 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.343 2.994 -6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.637 0.659 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.440 1.808 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.142 0.987 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.032 1.265 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.592 1.619 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.852 2.858 -3.620 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.398 6.701 -6.192 1.00 0.00 N ATOM 1533 CA LEU A 100 -6.145 8.112 -5.915 1.00 0.00 C ATOM 1534 C LEU A 100 -7.342 8.795 -5.255 1.00 0.00 C ATOM 1535 O LEU A 100 -8.487 8.599 -5.660 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.764 8.841 -7.204 1.00 0.00 C ATOM 1537 CG LEU A 100 -4.261 9.057 -7.390 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.972 9.677 -8.744 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.709 9.934 -6.277 1.00 0.00 C ATOM 0 H LEU A 100 -7.258 6.514 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.315 8.162 -5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.145 8.274 -8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.262 9.810 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.768 8.086 -7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.898 9.822 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.333 9.015 -9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.478 10.640 -8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.639 10.078 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.211 10.901 -6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.881 9.452 -5.315 1.00 0.00 H new ATOM 1551 N ALA A 101 -7.055 9.606 -4.235 1.00 0.00 N ATOM 1552 CA ALA A 101 -8.090 10.337 -3.507 1.00 0.00 C ATOM 1553 C ALA A 101 -7.610 11.729 -3.124 1.00 0.00 C ATOM 1554 O ALA A 101 -6.452 11.917 -2.763 1.00 0.00 O ATOM 1555 CB ALA A 101 -8.496 9.582 -2.256 1.00 0.00 C ATOM 0 H ALA A 101 -6.108 9.773 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.952 10.432 -4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.267 10.142 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.884 8.602 -2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.628 9.459 -1.608 1.00 0.00 H new ATOM 1561 N THR A 102 -8.507 12.700 -3.195 1.00 0.00 N ATOM 1562 CA THR A 102 -8.169 14.073 -2.849 1.00 0.00 C ATOM 1563 C THR A 102 -8.585 14.396 -1.417 1.00 0.00 C ATOM 1564 O THR A 102 -9.757 14.283 -1.059 1.00 0.00 O ATOM 1565 CB THR A 102 -8.838 15.038 -3.824 1.00 0.00 C ATOM 1566 OG1 THR A 102 -8.746 16.372 -3.356 1.00 0.00 O ATOM 1567 CG2 THR A 102 -10.302 14.727 -4.051 1.00 0.00 C ATOM 0 H THR A 102 -9.474 12.564 -3.489 1.00 0.00 H new ATOM 0 HA THR A 102 -7.087 14.187 -2.920 1.00 0.00 H new ATOM 0 HB THR A 102 -8.304 14.918 -4.767 1.00 0.00 H new ATOM 0 HG1 THR A 102 -9.180 16.974 -3.996 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.722 15.447 -4.753 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.401 13.721 -4.460 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.838 14.788 -3.104 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.613 14.794 -0.601 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.893 15.125 0.785 1.00 0.00 C ATOM 1577 C GLY A 103 -7.124 16.343 1.258 1.00 0.00 C ATOM 1578 O GLY A 103 -7.394 17.463 0.822 1.00 0.00 O ATOM 0 H GLY A 103 -6.636 14.893 -0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.961 15.305 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.642 14.273 1.417 1.00 0.00 H new ATOM 1582 N PHE A 104 -6.164 16.124 2.151 1.00 0.00 N ATOM 1583 CA PHE A 104 -5.353 17.213 2.684 1.00 0.00 C ATOM 1584 C PHE A 104 -3.866 16.922 2.502 1.00 0.00 C ATOM 1585 O PHE A 104 -3.230 16.324 3.370 1.00 0.00 O ATOM 1586 CB PHE A 104 -5.668 17.433 4.165 1.00 0.00 C ATOM 1587 CG PHE A 104 -6.434 18.697 4.436 1.00 0.00 C ATOM 1588 CD1 PHE A 104 -7.610 18.968 3.755 1.00 0.00 C ATOM 1589 CD2 PHE A 104 -5.978 19.613 5.371 1.00 0.00 C ATOM 1590 CE1 PHE A 104 -8.317 20.130 4.000 1.00 0.00 C ATOM 1591 CE2 PHE A 104 -6.681 20.776 5.620 1.00 0.00 C ATOM 1592 CZ PHE A 104 -7.852 21.035 4.935 1.00 0.00 C ATOM 0 H PHE A 104 -5.929 15.203 2.521 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.596 18.120 2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.242 16.584 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.734 17.456 4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.978 18.263 3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.064 19.416 5.911 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -9.231 20.330 3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.315 21.483 6.350 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.403 21.943 5.130 1.00 0.00 H new ATOM 1602 N SER A 105 -3.320 17.348 1.368 1.00 0.00 N ATOM 1603 CA SER A 105 -1.908 17.133 1.072 1.00 0.00 C ATOM 1604 C SER A 105 -1.098 18.401 1.330 1.00 0.00 C ATOM 1605 O SER A 105 -0.502 18.967 0.413 1.00 0.00 O ATOM 1606 CB SER A 105 -1.734 16.685 -0.381 1.00 0.00 C ATOM 1607 OG SER A 105 -2.186 15.353 -0.562 1.00 0.00 O ATOM 0 H SER A 105 -3.833 17.844 0.639 1.00 0.00 H new ATOM 0 HA SER A 105 -1.538 16.349 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.289 17.353 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.684 16.758 -0.664 1.00 0.00 H new ATOM 0 HG SER A 105 -2.066 15.091 -1.499 1.00 0.00 H new ATOM 1613 N GLU A 106 -1.080 18.840 2.583 1.00 0.00 N ATOM 1614 CA GLU A 106 -0.344 20.040 2.962 1.00 0.00 C ATOM 1615 C GLU A 106 1.165 19.784 2.979 1.00 0.00 C ATOM 1616 O GLU A 106 1.934 20.558 2.408 1.00 0.00 O ATOM 1617 CB GLU A 106 -0.807 20.543 4.331 1.00 0.00 C ATOM 1618 CG GLU A 106 -0.282 21.925 4.681 1.00 0.00 C ATOM 1619 CD GLU A 106 -1.337 23.003 4.541 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -1.622 23.410 3.394 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -1.881 23.442 5.576 1.00 0.00 O ATOM 0 H GLU A 106 -1.567 18.383 3.354 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.551 20.806 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -1.897 20.561 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.485 19.837 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.092 21.919 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.563 22.163 4.035 1.00 0.00 H new ATOM 1628 N PRO A 107 1.617 18.696 3.635 1.00 0.00 N ATOM 1629 CA PRO A 107 3.042 18.366 3.710 1.00 0.00 C ATOM 1630 C PRO A 107 3.566 17.760 2.412 1.00 0.00 C ATOM 1631 O PRO A 107 2.861 17.719 1.405 1.00 0.00 O ATOM 1632 CB PRO A 107 3.102 17.342 4.841 1.00 0.00 C ATOM 1633 CG PRO A 107 1.776 16.666 4.801 1.00 0.00 C ATOM 1634 CD PRO A 107 0.784 17.707 4.351 1.00 0.00 C ATOM 0 HA PRO A 107 3.660 19.248 3.879 1.00 0.00 H new ATOM 0 HB2 PRO A 107 3.915 16.631 4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 107 3.274 17.823 5.804 1.00 0.00 H new ATOM 0 HG2 PRO A 107 1.791 15.820 4.113 1.00 0.00 H new ATOM 0 HG3 PRO A 107 1.510 16.274 5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.022 17.279 3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 107 0.265 18.158 5.197 1.00 0.00 H new ATOM 1642 N GLY A 108 4.809 17.289 2.447 1.00 0.00 N ATOM 1643 CA GLY A 108 5.409 16.691 1.268 1.00 0.00 C ATOM 1644 C GLY A 108 6.097 15.375 1.572 1.00 0.00 C ATOM 1645 O GLY A 108 7.167 15.088 1.039 1.00 0.00 O ATOM 0 H GLY A 108 5.411 17.311 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.638 16.529 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.132 17.385 0.840 1.00 0.00 H new ATOM 1649 N ASP A 109 5.480 14.573 2.435 1.00 0.00 N ATOM 1650 CA ASP A 109 6.037 13.280 2.811 1.00 0.00 C ATOM 1651 C ASP A 109 5.071 12.151 2.471 1.00 0.00 C ATOM 1652 O ASP A 109 3.972 12.390 1.970 1.00 0.00 O ATOM 1653 CB ASP A 109 6.361 13.256 4.307 1.00 0.00 C ATOM 1654 CG ASP A 109 7.723 13.849 4.612 1.00 0.00 C ATOM 1655 OD1 ASP A 109 8.699 13.481 3.925 1.00 0.00 O ATOM 1656 OD2 ASP A 109 7.813 14.683 5.537 1.00 0.00 O ATOM 0 H ASP A 109 4.593 14.797 2.887 1.00 0.00 H new ATOM 0 HA ASP A 109 6.956 13.130 2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.596 13.810 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 109 6.326 12.228 4.667 1.00 0.00 H new ATOM 1661 N ALA A 110 5.487 10.918 2.745 1.00 0.00 N ATOM 1662 CA ALA A 110 4.658 9.752 2.467 1.00 0.00 C ATOM 1663 C ALA A 110 4.905 8.646 3.486 1.00 0.00 C ATOM 1664 O ALA A 110 5.776 8.765 4.349 1.00 0.00 O ATOM 1665 CB ALA A 110 4.921 9.242 1.058 1.00 0.00 C ATOM 0 H ALA A 110 6.394 10.702 3.159 1.00 0.00 H new ATOM 0 HA ALA A 110 3.613 10.054 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.295 8.371 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.686 10.026 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.970 8.964 0.962 1.00 0.00 H new ATOM 1671 N GLY A 111 4.133 7.568 3.382 1.00 0.00 N ATOM 1672 CA GLY A 111 4.284 6.456 4.300 1.00 0.00 C ATOM 1673 C GLY A 111 2.969 6.047 4.937 1.00 0.00 C ATOM 1674 O GLY A 111 2.191 6.897 5.369 1.00 0.00 O ATOM 0 H GLY A 111 3.406 7.446 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.707 5.604 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 111 4.994 6.728 5.081 1.00 0.00 H new ATOM 1678 N GLY A 112 2.723 4.742 4.996 1.00 0.00 N ATOM 1679 CA GLY A 112 1.493 4.246 5.587 1.00 0.00 C ATOM 1680 C GLY A 112 0.739 3.314 4.659 1.00 0.00 C ATOM 1681 O GLY A 112 1.136 3.116 3.511 1.00 0.00 O ATOM 0 H GLY A 112 3.352 4.020 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.725 3.722 6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.853 5.089 5.849 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.349 2.737 5.157 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.159 1.821 4.363 1.00 0.00 C ATOM 1687 C ILE A 113 -2.625 2.249 4.346 1.00 0.00 C ATOM 1688 O ILE A 113 -3.134 2.788 5.329 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.059 0.373 4.890 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -1.677 0.261 6.287 1.00 0.00 C ATOM 1691 CG2 ILE A 113 0.395 -0.080 4.908 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -1.529 -1.112 6.908 1.00 0.00 C ATOM 0 H ILE A 113 -0.690 2.887 6.106 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.765 1.855 3.347 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.619 -0.279 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.211 0.998 6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.736 0.511 6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.453 -1.102 5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.801 -0.039 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.973 0.577 5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.990 -1.116 7.896 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.019 -1.852 6.276 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.471 -1.357 7.000 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.298 2.002 3.227 1.00 0.00 N ATOM 1705 CA LEU A 114 -4.706 2.357 3.088 1.00 0.00 C ATOM 1706 C LEU A 114 -5.583 1.224 3.608 1.00 0.00 C ATOM 1707 O LEU A 114 -5.517 0.099 3.113 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.039 2.657 1.622 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.533 2.669 1.279 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.247 3.776 2.035 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -6.735 2.827 -0.221 1.00 0.00 C ATOM 0 H LEU A 114 -2.892 1.558 2.404 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.902 3.253 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.615 3.627 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.545 1.915 0.995 1.00 0.00 H new ATOM 0 HG LEU A 114 -6.963 1.715 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.306 3.768 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.133 3.617 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.815 4.739 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -7.802 2.833 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.289 3.765 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.259 1.996 -0.742 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.393 1.523 4.617 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.268 0.519 5.209 1.00 0.00 C ATOM 1725 C ARG A 115 -8.737 0.892 5.054 1.00 0.00 C ATOM 1726 O ARG A 115 -9.094 2.070 4.987 1.00 0.00 O ATOM 1727 CB ARG A 115 -6.932 0.335 6.691 1.00 0.00 C ATOM 1728 CG ARG A 115 -5.893 -0.743 6.950 1.00 0.00 C ATOM 1729 CD ARG A 115 -5.164 -0.512 8.264 1.00 0.00 C ATOM 1730 NE ARG A 115 -6.038 -0.713 9.417 1.00 0.00 N ATOM 1731 CZ ARG A 115 -6.348 -1.909 9.912 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -5.860 -3.012 9.358 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -7.149 -2.003 10.965 1.00 0.00 N ATOM 0 H ARG A 115 -6.462 2.448 5.041 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.102 -0.419 4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -6.570 1.281 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.844 0.087 7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.377 -1.719 6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.173 -0.760 6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -4.314 -1.191 8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.765 0.502 8.284 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.434 0.111 9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.243 -2.946 8.548 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -6.101 -3.925 9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.527 -1.159 11.395 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.387 -2.919 11.345 1.00 0.00 H new ATOM 1747 N CYS A 116 -9.583 -0.130 5.008 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.020 0.053 4.875 1.00 0.00 C ATOM 1749 C CYS A 116 -11.738 -0.533 6.083 1.00 0.00 C ATOM 1750 O CYS A 116 -11.182 -1.362 6.803 1.00 0.00 O ATOM 1751 CB CYS A 116 -11.528 -0.619 3.596 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.079 0.082 2.946 1.00 0.00 S ATOM 0 H CYS A 116 -9.292 -1.106 5.062 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.228 1.122 4.819 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -10.758 -0.541 2.828 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.677 -1.681 3.792 1.00 0.00 H new ATOM 1757 N GLU A 117 -12.978 -0.110 6.299 1.00 0.00 N ATOM 1758 CA GLU A 117 -13.767 -0.609 7.420 1.00 0.00 C ATOM 1759 C GLU A 117 -13.875 -2.134 7.376 1.00 0.00 C ATOM 1760 O GLU A 117 -14.196 -2.771 8.378 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.164 0.013 7.404 1.00 0.00 C ATOM 1762 CG GLU A 117 -15.895 -0.167 6.084 1.00 0.00 C ATOM 1763 CD GLU A 117 -16.760 1.026 5.727 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -16.200 2.125 5.526 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -17.995 0.863 5.647 1.00 0.00 O ATOM 0 H GLU A 117 -13.458 0.575 5.715 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.261 -0.325 8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.759 -0.430 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -15.081 1.078 7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.167 -0.333 5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.518 -1.060 6.137 1.00 0.00 H new ATOM 1772 N HIS A 118 -13.614 -2.711 6.204 1.00 0.00 N ATOM 1773 CA HIS A 118 -13.690 -4.154 6.026 1.00 0.00 C ATOM 1774 C HIS A 118 -12.328 -4.821 6.232 1.00 0.00 C ATOM 1775 O HIS A 118 -12.251 -5.946 6.724 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.228 -4.476 4.632 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.475 -3.719 4.290 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.496 -2.356 4.075 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -16.752 -4.141 4.129 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -16.729 -1.972 3.800 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.510 -3.037 3.825 1.00 0.00 N ATOM 0 H HIS A 118 -13.348 -2.197 5.364 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.369 -4.551 6.780 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.460 -4.251 3.892 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.430 -5.545 4.566 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.108 -5.156 4.222 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.045 -0.961 3.591 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -18.514 -3.039 3.647 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.255 -4.126 5.854 1.00 0.00 N ATOM 1790 CA GLY A 119 -9.922 -4.685 6.014 1.00 0.00 C ATOM 1791 C GLY A 119 -8.832 -3.794 5.452 1.00 0.00 C ATOM 1792 O GLY A 119 -8.862 -2.576 5.624 1.00 0.00 O ATOM 0 H GLY A 119 -11.285 -3.193 5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.732 -4.858 7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -9.880 -5.656 5.520 1.00 0.00 H new ATOM 1796 N VAL A 120 -7.863 -4.413 4.787 1.00 0.00 N ATOM 1797 CA VAL A 120 -6.742 -3.690 4.195 1.00 0.00 C ATOM 1798 C VAL A 120 -6.916 -3.537 2.687 1.00 0.00 C ATOM 1799 O VAL A 120 -7.284 -4.487 1.996 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.401 -4.404 4.461 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.234 -3.479 4.167 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.330 -4.923 5.888 1.00 0.00 C ATOM 0 H VAL A 120 -7.831 -5.422 4.643 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.727 -2.707 4.665 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.338 -5.261 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.297 -4.002 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.268 -3.171 3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.297 -2.599 4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.374 -5.422 6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.424 -4.089 6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.141 -5.631 6.058 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.647 -2.340 2.179 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.766 -2.073 0.751 1.00 0.00 C ATOM 1814 C ILE A 121 -5.404 -2.141 0.068 1.00 0.00 C ATOM 1815 O ILE A 121 -5.151 -3.030 -0.745 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.391 -0.691 0.484 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -8.720 -0.551 1.255 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.576 -0.474 -1.015 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -9.948 -0.369 0.382 1.00 0.00 C ATOM 0 H ILE A 121 -6.345 -1.539 2.734 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.419 -2.842 0.339 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.717 0.086 0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -8.860 -1.438 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -8.643 0.300 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.019 0.507 -1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.608 -0.529 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.234 -1.245 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.833 -0.280 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.837 0.534 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.057 -1.231 -0.276 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.529 -1.197 0.402 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.205 -1.170 -0.192 1.00 0.00 C ATOM 1833 C GLY A 122 -2.221 -0.339 0.609 1.00 0.00 C ATOM 1834 O GLY A 122 -2.472 -0.012 1.769 1.00 0.00 O ATOM 0 H GLY A 122 -4.713 -0.451 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.829 -2.189 -0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.273 -0.770 -1.204 1.00 0.00 H new ATOM 1838 N LEU A 123 -1.097 0.002 -0.015 1.00 0.00 N ATOM 1839 CA LEU A 123 -0.065 0.800 0.641 1.00 0.00 C ATOM 1840 C LEU A 123 0.120 2.135 -0.073 1.00 0.00 C ATOM 1841 O LEU A 123 -0.328 2.309 -1.204 1.00 0.00 O ATOM 1842 CB LEU A 123 1.261 0.036 0.674 1.00 0.00 C ATOM 1843 CG LEU A 123 1.570 -0.781 -0.582 1.00 0.00 C ATOM 1844 CD1 LEU A 123 3.071 -0.963 -0.744 1.00 0.00 C ATOM 1845 CD2 LEU A 123 0.872 -2.131 -0.524 1.00 0.00 C ATOM 0 H LEU A 123 -0.877 -0.262 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.386 0.995 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.070 0.749 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.255 -0.635 1.533 1.00 0.00 H new ATOM 0 HG LEU A 123 1.195 -0.236 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.272 -1.546 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.549 0.013 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.470 -1.486 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.103 -2.699 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.218 -2.682 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.205 -1.981 -0.456 1.00 0.00 H new ATOM 1857 N VAL A 124 0.780 3.077 0.592 1.00 0.00 N ATOM 1858 CA VAL A 124 1.015 4.394 0.011 1.00 0.00 C ATOM 1859 C VAL A 124 1.949 4.307 -1.194 1.00 0.00 C ATOM 1860 O VAL A 124 3.050 3.761 -1.100 1.00 0.00 O ATOM 1861 CB VAL A 124 1.611 5.371 1.046 1.00 0.00 C ATOM 1862 CG1 VAL A 124 1.848 6.743 0.425 1.00 0.00 C ATOM 1863 CG2 VAL A 124 0.700 5.480 2.260 1.00 0.00 C ATOM 0 H VAL A 124 1.161 2.954 1.530 1.00 0.00 H new ATOM 0 HA VAL A 124 0.046 4.773 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 124 2.574 4.978 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.268 7.414 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.543 6.650 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.902 7.148 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.135 6.173 2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -0.278 5.847 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 124 0.590 4.499 2.722 1.00 0.00 H new ATOM 1873 N THR A 125 1.506 4.854 -2.324 1.00 0.00 N ATOM 1874 CA THR A 125 2.307 4.845 -3.543 1.00 0.00 C ATOM 1875 C THR A 125 2.806 6.255 -3.865 1.00 0.00 C ATOM 1876 O THR A 125 3.882 6.649 -3.416 1.00 0.00 O ATOM 1877 CB THR A 125 1.500 4.253 -4.709 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.464 2.842 -4.618 1.00 0.00 O ATOM 1879 CG2 THR A 125 2.051 4.603 -6.078 1.00 0.00 C ATOM 0 H THR A 125 0.598 5.308 -2.419 1.00 0.00 H new ATOM 0 HA THR A 125 3.180 4.212 -3.387 1.00 0.00 H new ATOM 0 HB THR A 125 0.507 4.692 -4.617 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.376 2.488 -4.669 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.428 4.149 -6.848 1.00 0.00 H new ATOM 0 HG22 THR A 125 2.052 5.686 -6.204 1.00 0.00 H new ATOM 0 HG23 THR A 125 3.070 4.226 -6.167 1.00 0.00 H new ATOM 1887 N MET A 126 2.032 7.021 -4.637 1.00 0.00 N ATOM 1888 CA MET A 126 2.441 8.380 -4.987 1.00 0.00 C ATOM 1889 C MET A 126 1.348 9.397 -4.675 1.00 0.00 C ATOM 1890 O MET A 126 0.213 9.265 -5.126 1.00 0.00 O ATOM 1891 CB MET A 126 2.823 8.459 -6.463 1.00 0.00 C ATOM 1892 CG MET A 126 4.321 8.547 -6.686 1.00 0.00 C ATOM 1893 SD MET A 126 4.845 10.160 -7.300 1.00 0.00 S ATOM 1894 CE MET A 126 6.225 10.504 -6.211 1.00 0.00 C ATOM 0 H MET A 126 1.135 6.729 -5.025 1.00 0.00 H new ATOM 0 HA MET A 126 3.311 8.626 -4.378 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.436 7.581 -6.980 1.00 0.00 H new ATOM 0 HB3 MET A 126 2.343 9.330 -6.910 1.00 0.00 H new ATOM 0 HG2 MET A 126 4.836 8.336 -5.749 1.00 0.00 H new ATOM 0 HG3 MET A 126 4.623 7.778 -7.396 1.00 0.00 H new ATOM 0 HE1 MET A 126 5.999 11.380 -5.603 1.00 0.00 H new ATOM 0 HE2 MET A 126 6.398 9.646 -5.561 1.00 0.00 H new ATOM 0 HE3 MET A 126 7.119 10.695 -6.805 1.00 0.00 H new ATOM 1904 N GLY A 127 1.705 10.419 -3.905 1.00 0.00 N ATOM 1905 CA GLY A 127 0.748 11.449 -3.548 1.00 0.00 C ATOM 1906 C GLY A 127 1.010 12.762 -4.260 1.00 0.00 C ATOM 1907 O GLY A 127 2.127 13.279 -4.233 1.00 0.00 O ATOM 0 H GLY A 127 2.641 10.552 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -0.258 11.104 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 127 0.780 11.612 -2.471 1.00 0.00 H new ATOM 1911 N GLY A 128 -0.023 13.304 -4.898 1.00 0.00 N ATOM 1912 CA GLY A 128 0.120 14.561 -5.609 1.00 0.00 C ATOM 1913 C GLY A 128 0.024 15.760 -4.691 1.00 0.00 C ATOM 1914 O GLY A 128 0.166 15.634 -3.475 1.00 0.00 O ATOM 0 H GLY A 128 -0.957 12.895 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.081 14.577 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.652 14.631 -6.375 1.00 0.00 H new ATOM 1918 N GLU A 129 -0.218 16.927 -5.275 1.00 0.00 N ATOM 1919 CA GLU A 129 -0.335 18.160 -4.505 1.00 0.00 C ATOM 1920 C GLU A 129 -1.637 18.189 -3.706 1.00 0.00 C ATOM 1921 O GLU A 129 -1.766 18.943 -2.741 1.00 0.00 O ATOM 1922 CB GLU A 129 -0.274 19.368 -5.438 1.00 0.00 C ATOM 1923 CG GLU A 129 -1.249 19.285 -6.602 1.00 0.00 C ATOM 1924 CD GLU A 129 -0.627 19.712 -7.917 1.00 0.00 C ATOM 1925 OE1 GLU A 129 0.369 19.085 -8.334 1.00 0.00 O ATOM 1926 OE2 GLU A 129 -1.137 20.674 -8.530 1.00 0.00 O ATOM 0 H GLU A 129 -0.337 17.046 -6.281 1.00 0.00 H new ATOM 0 HA GLU A 129 0.499 18.201 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -0.482 20.271 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.739 19.464 -5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -1.614 18.262 -6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -2.114 19.915 -6.392 1.00 0.00 H new ATOM 1933 N GLY A 130 -2.601 17.368 -4.114 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.878 17.325 -3.420 1.00 0.00 C ATOM 1935 C GLY A 130 -4.527 15.947 -3.412 1.00 0.00 C ATOM 1936 O GLY A 130 -5.543 15.747 -2.747 1.00 0.00 O ATOM 0 H GLY A 130 -2.522 16.734 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.733 17.654 -2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.560 18.035 -3.889 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.951 14.996 -4.147 1.00 0.00 N ATOM 1941 CA VAL A 131 -4.499 13.645 -4.209 1.00 0.00 C ATOM 1942 C VAL A 131 -3.521 12.631 -3.614 1.00 0.00 C ATOM 1943 O VAL A 131 -2.319 12.888 -3.537 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.848 13.239 -5.658 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.956 12.198 -5.674 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -5.249 14.457 -6.480 1.00 0.00 C ATOM 0 H VAL A 131 -3.109 15.137 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.416 13.645 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.958 12.800 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -6.186 11.927 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.630 11.312 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.848 12.608 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -5.490 14.146 -7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.121 14.930 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -4.423 15.168 -6.504 1.00 0.00 H new ATOM 1956 N VAL A 132 -4.045 11.488 -3.180 1.00 0.00 N ATOM 1957 CA VAL A 132 -3.223 10.445 -2.574 1.00 0.00 C ATOM 1958 C VAL A 132 -3.203 9.179 -3.428 1.00 0.00 C ATOM 1959 O VAL A 132 -4.240 8.558 -3.648 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.736 10.086 -1.160 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -3.872 11.334 -0.303 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -5.067 9.349 -1.235 1.00 0.00 C ATOM 0 H VAL A 132 -5.038 11.260 -3.237 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.211 10.843 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.003 9.425 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -4.234 11.058 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.901 11.820 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -4.579 12.020 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.407 9.108 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.806 9.982 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.942 8.429 -1.806 1.00 0.00 H new ATOM 1972 N GLY A 133 -2.020 8.792 -3.895 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.905 7.593 -4.707 1.00 0.00 C ATOM 1974 C GLY A 133 -1.469 6.392 -3.890 1.00 0.00 C ATOM 1975 O GLY A 133 -0.388 6.394 -3.302 1.00 0.00 O ATOM 0 H GLY A 133 -1.143 9.284 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.865 7.381 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -1.187 7.766 -5.509 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.315 5.366 -3.842 1.00 0.00 N ATOM 1980 CA PHE A 134 -2.008 4.163 -3.076 1.00 0.00 C ATOM 1981 C PHE A 134 -1.976 2.924 -3.964 1.00 0.00 C ATOM 1982 O PHE A 134 -2.766 2.792 -4.894 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.042 3.963 -1.965 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.257 5.174 -1.100 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.208 6.026 -0.796 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.512 5.451 -0.583 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -2.407 7.132 0.007 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -4.716 6.554 0.222 1.00 0.00 C ATOM 1989 CZ PHE A 134 -3.663 7.396 0.518 1.00 0.00 C ATOM 0 H PHE A 134 -3.214 5.344 -4.323 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.019 4.299 -2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -3.993 3.678 -2.416 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.726 3.131 -1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.224 5.823 -1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -5.340 4.797 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.581 7.790 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -5.699 6.758 0.620 1.00 0.00 H new ATOM 0 HZ PHE A 134 -3.821 8.259 1.148 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.069 2.008 -3.651 1.00 0.00 N ATOM 2000 CA ALA A 135 -0.947 0.765 -4.400 1.00 0.00 C ATOM 2001 C ALA A 135 -1.833 -0.308 -3.775 1.00 0.00 C ATOM 2002 O ALA A 135 -1.574 -0.768 -2.663 1.00 0.00 O ATOM 2003 CB ALA A 135 0.504 0.314 -4.439 1.00 0.00 C ATOM 0 H ALA A 135 -0.406 2.103 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.278 0.932 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.581 -0.616 -5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 135 1.111 1.081 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.863 0.153 -3.422 1.00 0.00 H new ATOM 2009 N ASP A 136 -2.889 -0.684 -4.486 1.00 0.00 N ATOM 2010 CA ASP A 136 -3.828 -1.682 -3.986 1.00 0.00 C ATOM 2011 C ASP A 136 -3.195 -3.067 -3.903 1.00 0.00 C ATOM 2012 O ASP A 136 -2.397 -3.453 -4.756 1.00 0.00 O ATOM 2013 CB ASP A 136 -5.070 -1.731 -4.879 1.00 0.00 C ATOM 2014 CG ASP A 136 -6.211 -0.903 -4.325 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -5.937 0.061 -3.579 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -7.380 -1.218 -4.635 1.00 0.00 O ATOM 0 H ASP A 136 -3.117 -0.314 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.114 -1.386 -2.977 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -4.813 -1.370 -5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.395 -2.766 -4.989 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.577 -3.813 -2.870 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.072 -5.167 -2.664 1.00 0.00 C ATOM 2023 C VAL A 137 -3.970 -6.190 -3.365 1.00 0.00 C ATOM 2024 O VAL A 137 -3.824 -7.397 -3.175 1.00 0.00 O ATOM 2025 CB VAL A 137 -2.980 -5.501 -1.155 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.499 -6.929 -0.932 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.061 -4.516 -0.446 1.00 0.00 C ATOM 0 H VAL A 137 -4.238 -3.500 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.072 -5.217 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 137 -3.981 -5.414 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.445 -7.132 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.196 -7.625 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.511 -7.053 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.008 -4.766 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.063 -4.571 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.453 -3.505 -0.561 1.00 0.00 H new ATOM 2037 N ARG A 138 -4.898 -5.701 -4.185 1.00 0.00 N ATOM 2038 CA ARG A 138 -5.811 -6.573 -4.915 1.00 0.00 C ATOM 2039 C ARG A 138 -5.086 -7.351 -6.013 1.00 0.00 C ATOM 2040 O ARG A 138 -5.664 -8.239 -6.638 1.00 0.00 O ATOM 2041 CB ARG A 138 -6.949 -5.752 -5.524 1.00 0.00 C ATOM 2042 CG ARG A 138 -7.605 -4.794 -4.541 1.00 0.00 C ATOM 2043 CD ARG A 138 -9.065 -5.149 -4.297 1.00 0.00 C ATOM 2044 NE ARG A 138 -9.974 -4.254 -5.012 1.00 0.00 N ATOM 2045 CZ ARG A 138 -10.490 -4.516 -6.213 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -10.197 -5.646 -6.844 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -11.306 -3.640 -6.785 1.00 0.00 N ATOM 0 H ARG A 138 -5.036 -4.706 -4.359 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.221 -7.293 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -6.563 -5.183 -6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -7.706 -6.431 -5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.063 -4.815 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -7.537 -3.776 -4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -9.246 -6.177 -4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -9.276 -5.102 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 138 -10.229 -3.374 -4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -9.571 -6.325 -6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -10.598 -5.836 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -11.537 -2.770 -6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -11.703 -3.837 -7.704 1.00 0.00 H new ATOM 2061 N ASP A 139 -3.819 -7.014 -6.250 1.00 0.00 N ATOM 2062 CA ASP A 139 -3.031 -7.686 -7.277 1.00 0.00 C ATOM 2063 C ASP A 139 -2.289 -8.899 -6.713 1.00 0.00 C ATOM 2064 O ASP A 139 -1.464 -9.500 -7.401 1.00 0.00 O ATOM 2065 CB ASP A 139 -2.030 -6.709 -7.897 1.00 0.00 C ATOM 2066 CG ASP A 139 -1.610 -7.123 -9.294 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -2.496 -7.257 -10.165 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -0.396 -7.312 -9.518 1.00 0.00 O ATOM 0 H ASP A 139 -3.319 -6.282 -5.746 1.00 0.00 H new ATOM 0 HA ASP A 139 -3.720 -8.038 -8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -2.472 -5.714 -7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -1.148 -6.643 -7.260 1.00 0.00 H new ATOM 2073 N LEU A 140 -2.585 -9.261 -5.466 1.00 0.00 N ATOM 2074 CA LEU A 140 -1.937 -10.404 -4.835 1.00 0.00 C ATOM 2075 C LEU A 140 -2.581 -10.720 -3.490 1.00 0.00 C ATOM 2076 O LEU A 140 -1.898 -11.015 -2.515 1.00 0.00 O ATOM 2077 CB LEU A 140 -0.424 -10.161 -4.675 1.00 0.00 C ATOM 2078 CG LEU A 140 0.004 -8.985 -3.776 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -0.948 -7.808 -3.896 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.111 -9.424 -2.326 1.00 0.00 C ATOM 0 H LEU A 140 -3.266 -8.781 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.072 -11.268 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 140 0.025 -11.072 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 140 0.000 -10.002 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 140 0.986 -8.659 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -0.611 -7.000 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -0.967 -7.460 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -1.950 -8.119 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.414 -8.577 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.857 -9.792 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 140 0.852 -10.219 -2.240 1.00 0.00 H new ATOM 2092 N LEU A 141 -3.909 -10.658 -3.452 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.659 -10.933 -2.230 1.00 0.00 C ATOM 2094 C LEU A 141 -4.390 -12.338 -1.690 1.00 0.00 C ATOM 2095 O LEU A 141 -4.719 -12.637 -0.544 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.155 -10.746 -2.472 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.830 -9.742 -1.537 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.373 -9.951 -0.103 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.544 -8.318 -1.988 1.00 0.00 C ATOM 0 H LEU A 141 -4.490 -10.419 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.319 -10.221 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.305 -10.422 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.650 -11.711 -2.366 1.00 0.00 H new ATOM 0 HG LEU A 141 -7.907 -9.907 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.866 -9.226 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.632 -10.960 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.293 -9.817 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.032 -7.617 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.468 -8.142 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -6.926 -8.173 -2.998 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.799 -13.199 -2.513 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.501 -14.567 -2.097 1.00 0.00 C ATOM 2113 C TRP A 142 -2.582 -14.589 -0.872 1.00 0.00 C ATOM 2114 O TRP A 142 -1.378 -14.815 -0.990 1.00 0.00 O ATOM 2115 CB TRP A 142 -2.864 -15.360 -3.247 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.686 -14.678 -3.881 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.709 -13.601 -4.722 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.310 -15.041 -3.734 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.429 -13.264 -5.091 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.446 -14.135 -4.497 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.355 -16.041 -3.023 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.834 -14.201 -4.569 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.733 -16.108 -3.095 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.461 -15.192 -3.861 1.00 0.00 C ATOM 0 H TRP A 142 -3.518 -12.976 -3.468 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.445 -15.039 -1.825 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.548 -16.334 -2.872 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.620 -15.542 -4.011 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.602 -13.090 -5.049 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.172 -12.492 -5.706 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -0.199 -16.751 -2.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.397 -13.496 -5.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.257 -16.880 -2.551 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.538 -15.267 -3.895 1.00 0.00 H new ATOM 2135 N LEU A 143 -3.167 -14.367 0.304 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.417 -14.373 1.558 1.00 0.00 C ATOM 2137 C LEU A 143 -3.197 -15.111 2.643 1.00 0.00 C ATOM 2138 O LEU A 143 -2.643 -15.943 3.362 1.00 0.00 O ATOM 2139 CB LEU A 143 -2.106 -12.943 2.025 1.00 0.00 C ATOM 2140 CG LEU A 143 -1.120 -12.157 1.150 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.871 -11.277 0.173 1.00 0.00 C ATOM 2142 CD2 LEU A 143 -0.192 -11.311 2.008 1.00 0.00 C ATOM 0 H LEU A 143 -4.164 -14.180 0.414 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.475 -14.891 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -3.041 -12.386 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.707 -12.990 3.038 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.516 -12.872 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.159 -10.725 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.498 -11.897 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.497 -10.574 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.498 -10.763 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.781 -10.605 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.373 -11.958 2.679 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.487 -14.805 2.750 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.346 -15.443 3.742 1.00 0.00 C ATOM 2156 C GLU A 144 -6.820 -15.188 3.426 1.00 0.00 C ATOM 2157 O GLU A 144 -7.167 -14.817 2.304 1.00 0.00 O ATOM 2158 CB GLU A 144 -5.004 -14.938 5.148 1.00 0.00 C ATOM 2159 CG GLU A 144 -5.467 -13.516 5.422 1.00 0.00 C ATOM 2160 CD GLU A 144 -6.499 -13.439 6.528 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -6.359 -14.180 7.524 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -7.447 -12.637 6.401 1.00 0.00 O ATOM 0 H GLU A 144 -4.960 -14.119 2.162 1.00 0.00 H new ATOM 0 HA GLU A 144 -5.171 -16.518 3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -5.456 -15.605 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -3.925 -14.992 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -4.606 -12.904 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -5.887 -13.093 4.509 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.684 -15.393 4.416 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.117 -15.186 4.235 1.00 0.00 C ATOM 2171 C ASP A 145 -9.418 -13.751 3.815 1.00 0.00 C ATOM 2172 O ASP A 145 -8.933 -12.798 4.425 1.00 0.00 O ATOM 2173 CB ASP A 145 -9.873 -15.523 5.523 1.00 0.00 C ATOM 2174 CG ASP A 145 -9.239 -14.896 6.748 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -9.573 -13.736 7.063 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -8.407 -15.568 7.395 1.00 0.00 O ATOM 0 H ASP A 145 -7.417 -15.702 5.351 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.452 -15.853 3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -10.904 -15.180 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -9.906 -16.605 5.649 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.223 -13.607 2.768 1.00 0.00 N ATOM 2182 CA ASP A 146 -10.597 -12.292 2.258 1.00 0.00 C ATOM 2183 C ASP A 146 -12.034 -11.951 2.650 1.00 0.00 C ATOM 2184 O ASP A 146 -12.851 -12.844 2.873 1.00 0.00 O ATOM 2185 CB ASP A 146 -10.437 -12.258 0.736 1.00 0.00 C ATOM 2186 CG ASP A 146 -11.416 -13.174 0.027 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -12.568 -12.748 -0.201 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -11.032 -14.316 -0.300 1.00 0.00 O ATOM 0 H ASP A 146 -10.631 -14.388 2.254 1.00 0.00 H new ATOM 0 HA ASP A 146 -9.937 -11.545 2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -10.579 -11.237 0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -9.419 -12.548 0.475 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.339 -10.658 2.736 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.680 -10.219 3.106 1.00 0.00 C ATOM 2195 C ALA A 147 -14.699 -10.606 2.040 1.00 0.00 C ATOM 2196 O ALA A 147 -14.360 -10.750 0.866 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.702 -8.717 3.341 1.00 0.00 C ATOM 0 H ALA A 147 -11.679 -9.901 2.556 1.00 0.00 H new ATOM 0 HA ALA A 147 -13.955 -10.722 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -14.710 -8.406 3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -13.012 -8.465 4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -13.400 -8.202 2.429 1.00 0.00 H new ATOM 2203 N MET A 148 -15.949 -10.775 2.457 1.00 0.00 N ATOM 2204 CA MET A 148 -17.018 -11.145 1.537 1.00 0.00 C ATOM 2205 C MET A 148 -16.706 -12.471 0.846 1.00 0.00 C ATOM 2206 O MET A 148 -16.401 -12.506 -0.346 1.00 0.00 O ATOM 2207 CB MET A 148 -17.226 -10.042 0.496 1.00 0.00 C ATOM 2208 CG MET A 148 -18.688 -9.754 0.200 1.00 0.00 C ATOM 2209 SD MET A 148 -19.506 -11.117 -0.653 1.00 0.00 S ATOM 2210 CE MET A 148 -20.092 -10.289 -2.129 1.00 0.00 C ATOM 0 H MET A 148 -16.247 -10.662 3.426 1.00 0.00 H new ATOM 0 HA MET A 148 -17.936 -11.267 2.111 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.748 -9.128 0.847 1.00 0.00 H new ATOM 0 HB3 MET A 148 -16.726 -10.328 -0.429 1.00 0.00 H new ATOM 0 HG2 MET A 148 -19.210 -9.550 1.135 1.00 0.00 H new ATOM 0 HG3 MET A 148 -18.761 -8.853 -0.409 1.00 0.00 H new ATOM 0 HE1 MET A 148 -20.621 -11.003 -2.761 1.00 0.00 H new ATOM 0 HE2 MET A 148 -20.768 -9.481 -1.849 1.00 0.00 H new ATOM 0 HE3 MET A 148 -19.244 -9.878 -2.677 1.00 0.00 H new ATOM 2220 N GLU A 149 -16.784 -13.560 1.605 1.00 0.00 N ATOM 2221 CA GLU A 149 -16.509 -14.887 1.067 1.00 0.00 C ATOM 2222 C GLU A 149 -17.795 -15.697 0.931 1.00 0.00 C ATOM 2223 O GLU A 149 -18.874 -15.233 1.299 1.00 0.00 O ATOM 2224 CB GLU A 149 -15.519 -15.629 1.966 1.00 0.00 C ATOM 2225 CG GLU A 149 -15.979 -15.750 3.410 1.00 0.00 C ATOM 2226 CD GLU A 149 -14.967 -15.195 4.394 1.00 0.00 C ATOM 2227 OE1 GLU A 149 -13.883 -15.798 4.534 1.00 0.00 O ATOM 2228 OE2 GLU A 149 -15.261 -14.157 5.025 1.00 0.00 O ATOM 0 H GLU A 149 -17.035 -13.549 2.594 1.00 0.00 H new ATOM 0 HA GLU A 149 -16.071 -14.766 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -15.352 -16.628 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -14.560 -15.111 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -16.925 -15.222 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -16.167 -16.799 3.641 1.00 0.00 H new ATOM 2235 N GLN A 150 -17.670 -16.909 0.399 1.00 0.00 N ATOM 2236 CA GLN A 150 -18.823 -17.784 0.215 1.00 0.00 C ATOM 2237 C GLN A 150 -18.866 -18.862 1.293 1.00 0.00 C ATOM 2238 O GLN A 150 -19.982 -19.275 1.671 1.00 0.00 O ATOM 2239 CB GLN A 150 -18.779 -18.431 -1.172 1.00 0.00 C ATOM 2240 CG GLN A 150 -20.139 -18.519 -1.845 1.00 0.00 C ATOM 2241 CD GLN A 150 -20.049 -18.427 -3.355 1.00 0.00 C ATOM 2242 OE1 GLN A 150 -19.423 -17.517 -3.897 1.00 0.00 O ATOM 2243 NE2 GLN A 150 -20.676 -19.374 -4.043 1.00 0.00 N ATOM 2244 OXT GLN A 150 -17.782 -19.285 1.749 1.00 0.00 O ATOM 0 H GLN A 150 -16.784 -17.307 0.088 1.00 0.00 H new ATOM 0 HA GLN A 150 -19.726 -17.179 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.104 -17.860 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -18.361 -19.434 -1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -20.616 -19.460 -1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -20.777 -17.717 -1.473 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -21.183 -20.110 -3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -20.650 -19.365 -5.063 1.00 0.00 H new TER 2253 GLN A 150 HETATM 2254 ZN ZN A 151 -14.582 -1.566 2.356 1.00 0.00 ZN