USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 916 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 135 THR OG1 : rot 74:sc= 1.91 USER MOD Set 1.2: A 136 ASN : amide:sc= 0.995 K(o=2.9,f=-2.1!) USER MOD Set 2.1: A 115 ASN : amide:sc= 0.17 X(o=0.35,f=-0.029) USER MOD Set 2.2: A 118 TYR OH : rot 92:sc= 0.176 USER MOD Set 3.1: A 91 THR OG1 : rot 134:sc= 1.73 USER MOD Set 3.2: A 112 TYR OH : rot 44:sc= 1.9 USER MOD Single : A 22 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.34) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 34 THR OG1 : rot 33:sc= 0.45 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -48:sc= 0.0874 USER MOD Single : A 40 GLN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 THR OG1 : rot 74:sc= 0.809 USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 50 TYR OH : rot -139:sc= 0.0858 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.0323 (180deg=-0.198) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0995 USER MOD Single : A 61 ASN : amide:sc= -0.218 K(o=-0.22,f=-2!) USER MOD Single : A 64 MET CE :methyl 132:sc= -0.574 (180deg=-0.827) USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= 0.956 (180deg=0.133) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0604 F(o=-1.1,f=-0.06) USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= -0.0393 (180deg=-0.22) USER MOD Single : A 81 GLN : amide:sc= -0.0551 K(o=-0.055,f=-0.62) USER MOD Single : A 82 LYS NZ :NH3+ -148:sc= 1.21 (180deg=1.11) USER MOD Single : A 87 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.016) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 85:sc= -2.68! USER MOD Single : A 99 THR OG1 : rot -40:sc= 0.176 USER MOD Single : A 102 ASN : amide:sc= -0.291 K(o=-0.29,f=-1) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 119 GLN :FLIP amide:sc= -0.0132 F(o=-1,f=-0.013) USER MOD Single : A 125 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.43) USER MOD Single : A 126 TYR OH : rot 28:sc= 1.24 USER MOD Single : A 131 THR OG1 : rot -42:sc= 0.819 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 20 30.359 -1.588 2.905 1.00 0.00 N ATOM 2 CA ASP A 20 29.712 -2.616 2.121 1.00 0.00 C ATOM 3 C ASP A 20 28.732 -3.400 2.978 1.00 0.00 C ATOM 4 O ASP A 20 28.970 -3.635 4.171 1.00 0.00 O ATOM 5 CB ASP A 20 30.718 -3.551 1.435 1.00 0.00 C ATOM 6 CG ASP A 20 31.699 -2.840 0.498 1.00 0.00 C ATOM 7 OD1 ASP A 20 31.268 -2.127 -0.441 1.00 0.00 O ATOM 8 OD2 ASP A 20 32.937 -3.034 0.660 1.00 0.00 O ATOM 0 HA ASP A 20 29.159 -2.117 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 20 31.284 -4.082 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 20 30.170 -4.302 0.866 1.00 0.00 H new ATOM 13 N CYS A 21 27.650 -3.780 2.378 1.00 0.00 N ATOM 14 CA CYS A 21 26.548 -4.441 3.039 1.00 0.00 C ATOM 15 C CYS A 21 26.945 -5.843 3.434 1.00 0.00 C ATOM 16 O CYS A 21 27.608 -6.539 2.672 1.00 0.00 O ATOM 17 CB CYS A 21 25.400 -4.557 2.067 1.00 0.00 C ATOM 18 SG CYS A 21 25.349 -3.237 0.836 1.00 0.00 S ATOM 0 H CYS A 21 27.494 -3.638 1.380 1.00 0.00 H new ATOM 0 HA CYS A 21 26.270 -3.865 3.922 1.00 0.00 H new ATOM 0 HB2 CYS A 21 25.466 -5.517 1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 21 24.463 -4.557 2.624 1.00 0.00 H new ATOM 23 N ASN A 22 26.548 -6.243 4.598 1.00 0.00 N ATOM 24 CA ASN A 22 26.786 -7.584 5.090 1.00 0.00 C ATOM 25 C ASN A 22 25.476 -8.182 5.534 1.00 0.00 C ATOM 26 O ASN A 22 25.428 -9.119 6.329 1.00 0.00 O ATOM 27 CB ASN A 22 27.817 -7.551 6.225 1.00 0.00 C ATOM 28 CG ASN A 22 29.258 -7.702 5.733 1.00 0.00 C ATOM 29 OD1 ASN A 22 29.841 -8.785 5.826 1.00 0.00 O ATOM 30 ND2 ASN A 22 29.804 -6.681 5.109 1.00 0.00 N ATOM 0 H ASN A 22 26.041 -5.647 5.253 1.00 0.00 H new ATOM 0 HA ASN A 22 27.197 -8.211 4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 22 27.721 -6.610 6.767 1.00 0.00 H new ATOM 0 HB3 ASN A 22 27.595 -8.350 6.932 1.00 0.00 H new ATOM 0 HD21 ASN A 22 30.729 -6.775 4.689 1.00 0.00 H new ATOM 0 HD22 ASN A 22 29.303 -5.795 5.045 1.00 0.00 H new ATOM 37 N GLU A 23 24.410 -7.667 4.950 1.00 0.00 N ATOM 38 CA GLU A 23 23.060 -8.078 5.244 1.00 0.00 C ATOM 39 C GLU A 23 22.162 -7.663 4.085 1.00 0.00 C ATOM 40 O GLU A 23 22.546 -6.790 3.277 1.00 0.00 O ATOM 41 CB GLU A 23 22.578 -7.421 6.546 1.00 0.00 C ATOM 42 CG GLU A 23 22.559 -5.896 6.502 1.00 0.00 C ATOM 43 CD GLU A 23 22.255 -5.277 7.836 1.00 0.00 C ATOM 44 OE1 GLU A 23 23.168 -5.223 8.706 1.00 0.00 O ATOM 45 OE2 GLU A 23 21.107 -4.832 8.053 1.00 0.00 O ATOM 0 H GLU A 23 24.466 -6.935 4.242 1.00 0.00 H new ATOM 0 HA GLU A 23 23.023 -9.160 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 23 21.574 -7.780 6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.223 -7.743 7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 23 23.526 -5.536 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 23 21.815 -5.568 5.777 1.00 0.00 H new ATOM 52 N LEU A 24 21.007 -8.281 3.993 1.00 0.00 N ATOM 53 CA LEU A 24 20.014 -7.942 2.989 1.00 0.00 C ATOM 54 C LEU A 24 19.166 -6.765 3.459 1.00 0.00 C ATOM 55 O LEU A 24 19.055 -6.534 4.665 1.00 0.00 O ATOM 56 CB LEU A 24 19.131 -9.157 2.680 1.00 0.00 C ATOM 57 CG LEU A 24 19.765 -10.289 1.862 1.00 0.00 C ATOM 58 CD1 LEU A 24 18.743 -11.369 1.618 1.00 0.00 C ATOM 59 CD2 LEU A 24 20.296 -9.740 0.539 1.00 0.00 C ATOM 0 H LEU A 24 20.724 -9.039 4.615 1.00 0.00 H new ATOM 0 HA LEU A 24 20.528 -7.651 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 24 18.787 -9.575 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.248 -8.807 2.146 1.00 0.00 H new ATOM 0 HG LEU A 24 20.600 -10.716 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.195 -12.173 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.395 -11.763 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.899 -10.953 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 24 20.745 -10.549 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.475 -9.302 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 24 21.047 -8.976 0.738 1.00 0.00 H new ATOM 71 N PRO A 25 18.612 -5.975 2.513 1.00 0.00 N ATOM 72 CA PRO A 25 17.773 -4.817 2.834 1.00 0.00 C ATOM 73 C PRO A 25 16.593 -5.162 3.765 1.00 0.00 C ATOM 74 O PRO A 25 16.022 -6.269 3.690 1.00 0.00 O ATOM 75 CB PRO A 25 17.258 -4.320 1.469 1.00 0.00 C ATOM 76 CG PRO A 25 17.693 -5.332 0.459 1.00 0.00 C ATOM 77 CD PRO A 25 18.803 -6.127 1.063 1.00 0.00 C ATOM 0 HA PRO A 25 18.345 -4.066 3.378 1.00 0.00 H new ATOM 0 HB2 PRO A 25 16.173 -4.221 1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 25 17.666 -3.337 1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 25 16.862 -5.982 0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 25 18.027 -4.841 -0.455 1.00 0.00 H new ATOM 0 HD2 PRO A 25 18.752 -7.174 0.763 1.00 0.00 H new ATOM 0 HD3 PRO A 25 19.777 -5.752 0.749 1.00 0.00 H new ATOM 85 N PRO A 26 16.250 -4.254 4.694 1.00 0.00 N ATOM 86 CA PRO A 26 15.140 -4.452 5.599 1.00 0.00 C ATOM 87 C PRO A 26 13.803 -4.408 4.875 1.00 0.00 C ATOM 88 O PRO A 26 13.395 -3.375 4.335 1.00 0.00 O ATOM 89 CB PRO A 26 15.254 -3.301 6.601 1.00 0.00 C ATOM 90 CG PRO A 26 16.038 -2.254 5.898 1.00 0.00 C ATOM 91 CD PRO A 26 16.939 -2.976 4.938 1.00 0.00 C ATOM 0 HA PRO A 26 15.179 -5.431 6.076 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.270 -2.930 6.889 1.00 0.00 H new ATOM 0 HB3 PRO A 26 15.754 -3.622 7.515 1.00 0.00 H new ATOM 0 HG2 PRO A 26 15.380 -1.564 5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 26 16.618 -1.662 6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 26 17.072 -2.412 4.015 1.00 0.00 H new ATOM 0 HD3 PRO A 26 17.931 -3.132 5.362 1.00 0.00 H new ATOM 99 N ARG A 27 13.153 -5.544 4.832 1.00 0.00 N ATOM 100 CA ARG A 27 11.868 -5.659 4.203 1.00 0.00 C ATOM 101 C ARG A 27 10.842 -5.070 5.106 1.00 0.00 C ATOM 102 O ARG A 27 10.997 -5.096 6.329 1.00 0.00 O ATOM 103 CB ARG A 27 11.525 -7.108 3.912 1.00 0.00 C ATOM 104 CG ARG A 27 12.480 -7.775 2.963 1.00 0.00 C ATOM 105 CD ARG A 27 12.111 -9.216 2.741 1.00 0.00 C ATOM 106 NE ARG A 27 10.784 -9.378 2.137 1.00 0.00 N ATOM 107 CZ ARG A 27 10.356 -10.485 1.517 1.00 0.00 C ATOM 108 NH1 ARG A 27 11.186 -11.503 1.292 1.00 0.00 N ATOM 109 NH2 ARG A 27 9.099 -10.560 1.102 1.00 0.00 N ATOM 0 H ARG A 27 13.503 -6.414 5.233 1.00 0.00 H new ATOM 0 HA ARG A 27 11.890 -5.125 3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.510 -7.664 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.519 -7.158 3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.478 -7.246 2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.493 -7.714 3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.857 -9.682 2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.138 -9.744 3.694 1.00 0.00 H new ATOM 0 HE ARG A 27 10.140 -8.589 2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.159 -11.444 1.593 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.848 -12.341 0.819 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.464 -9.777 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.767 -11.401 0.629 1.00 0.00 H new ATOM 123 N ARG A 28 9.805 -4.567 4.538 1.00 0.00 N ATOM 124 CA ARG A 28 8.813 -3.878 5.315 1.00 0.00 C ATOM 125 C ARG A 28 7.495 -4.574 5.127 1.00 0.00 C ATOM 126 O ARG A 28 7.422 -5.572 4.416 1.00 0.00 O ATOM 127 CB ARG A 28 8.710 -2.399 4.895 1.00 0.00 C ATOM 128 CG ARG A 28 10.055 -1.680 4.786 1.00 0.00 C ATOM 129 CD ARG A 28 9.880 -0.180 4.617 1.00 0.00 C ATOM 130 NE ARG A 28 9.509 0.469 5.896 1.00 0.00 N ATOM 131 CZ ARG A 28 8.415 1.212 6.130 1.00 0.00 C ATOM 132 NH1 ARG A 28 7.466 1.339 5.208 1.00 0.00 N ATOM 133 NH2 ARG A 28 8.274 1.810 7.307 1.00 0.00 N ATOM 0 H ARG A 28 9.612 -4.615 3.537 1.00 0.00 H new ATOM 0 HA ARG A 28 9.097 -3.897 6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.202 -2.341 3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.087 -1.871 5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.647 -1.879 5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.613 -2.079 3.939 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.806 0.256 4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.110 0.016 3.871 1.00 0.00 H new ATOM 0 HE ARG A 28 10.150 0.338 6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.563 0.869 4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.641 1.907 5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.993 1.703 8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.447 2.377 7.495 1.00 0.00 H new ATOM 147 N ASN A 29 6.469 -4.084 5.758 1.00 0.00 N ATOM 148 CA ASN A 29 5.158 -4.683 5.617 1.00 0.00 C ATOM 149 C ASN A 29 4.414 -4.025 4.461 1.00 0.00 C ATOM 150 O ASN A 29 3.474 -4.579 3.920 1.00 0.00 O ATOM 151 CB ASN A 29 4.369 -4.581 6.941 1.00 0.00 C ATOM 152 CG ASN A 29 3.014 -5.287 6.902 1.00 0.00 C ATOM 153 OD1 ASN A 29 2.911 -6.489 7.167 1.00 0.00 O ATOM 154 ND2 ASN A 29 1.965 -4.546 6.650 1.00 0.00 N ATOM 0 H ASN A 29 6.506 -3.273 6.376 1.00 0.00 H new ATOM 0 HA ASN A 29 5.267 -5.743 5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.968 -5.008 7.745 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.214 -3.529 7.182 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.032 -4.959 6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.080 -3.556 6.434 1.00 0.00 H new ATOM 161 N THR A 30 4.849 -2.837 4.089 1.00 0.00 N ATOM 162 CA THR A 30 4.271 -2.107 2.975 1.00 0.00 C ATOM 163 C THR A 30 5.171 -2.129 1.733 1.00 0.00 C ATOM 164 O THR A 30 4.753 -1.732 0.655 1.00 0.00 O ATOM 165 CB THR A 30 3.989 -0.659 3.388 1.00 0.00 C ATOM 166 OG1 THR A 30 4.981 -0.241 4.352 1.00 0.00 O ATOM 167 CG2 THR A 30 2.594 -0.504 3.958 1.00 0.00 C ATOM 0 H THR A 30 5.616 -2.348 4.552 1.00 0.00 H new ATOM 0 HA THR A 30 3.338 -2.606 2.710 1.00 0.00 H new ATOM 0 HB THR A 30 4.047 -0.026 2.503 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.763 0.118 3.882 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.430 0.536 4.240 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.860 -0.797 3.208 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.488 -1.139 4.837 1.00 0.00 H new ATOM 175 N GLU A 31 6.397 -2.598 1.890 1.00 0.00 N ATOM 176 CA GLU A 31 7.335 -2.621 0.787 1.00 0.00 C ATOM 177 C GLU A 31 8.067 -3.948 0.702 1.00 0.00 C ATOM 178 O GLU A 31 8.514 -4.501 1.715 1.00 0.00 O ATOM 179 CB GLU A 31 8.365 -1.471 0.837 1.00 0.00 C ATOM 180 CG GLU A 31 7.815 -0.061 0.613 1.00 0.00 C ATOM 181 CD GLU A 31 7.388 0.677 1.880 1.00 0.00 C ATOM 182 OE1 GLU A 31 7.133 0.040 2.922 1.00 0.00 O ATOM 183 OE2 GLU A 31 7.305 1.935 1.858 1.00 0.00 O ATOM 0 H GLU A 31 6.763 -2.966 2.768 1.00 0.00 H new ATOM 0 HA GLU A 31 6.727 -2.483 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.859 -1.496 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.130 -1.664 0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.575 0.532 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.958 -0.124 -0.058 1.00 0.00 H new ATOM 190 N ILE A 32 8.199 -4.420 -0.510 1.00 0.00 N ATOM 191 CA ILE A 32 8.863 -5.683 -0.847 1.00 0.00 C ATOM 192 C ILE A 32 9.920 -5.307 -1.836 1.00 0.00 C ATOM 193 O ILE A 32 9.877 -4.243 -2.378 1.00 0.00 O ATOM 194 CB ILE A 32 7.859 -6.678 -1.530 1.00 0.00 C ATOM 195 CG1 ILE A 32 6.479 -6.655 -0.839 1.00 0.00 C ATOM 196 CG2 ILE A 32 8.416 -8.093 -1.489 1.00 0.00 C ATOM 197 CD1 ILE A 32 5.401 -7.459 -1.561 1.00 0.00 C ATOM 0 H ILE A 32 7.839 -3.929 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 32 9.259 -6.174 0.042 1.00 0.00 H new ATOM 0 HB ILE A 32 7.732 -6.358 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.587 -7.042 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.147 -5.621 -0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.712 -8.775 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.368 -8.125 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.568 -8.394 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.464 -7.389 -1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.261 -7.060 -2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.707 -8.503 -1.625 1.00 0.00 H new ATOM 209 N LEU A 33 10.844 -6.144 -2.054 1.00 0.00 N ATOM 210 CA LEU A 33 11.919 -5.847 -2.941 1.00 0.00 C ATOM 211 C LEU A 33 11.634 -6.297 -4.348 1.00 0.00 C ATOM 212 O LEU A 33 10.881 -7.251 -4.569 1.00 0.00 O ATOM 213 CB LEU A 33 13.151 -6.557 -2.490 1.00 0.00 C ATOM 214 CG LEU A 33 13.981 -5.997 -1.364 1.00 0.00 C ATOM 215 CD1 LEU A 33 14.520 -4.619 -1.634 1.00 0.00 C ATOM 216 CD2 LEU A 33 13.332 -6.115 -0.044 1.00 0.00 C ATOM 0 H LEU A 33 10.891 -7.068 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 33 12.049 -4.765 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.855 -7.566 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.805 -6.652 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 33 14.859 -6.642 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.107 -4.284 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.153 -4.643 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.692 -3.930 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.984 -5.693 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.386 -5.574 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.146 -7.166 0.177 1.00 0.00 H new ATOM 228 N THR A 34 12.210 -5.602 -5.293 1.00 0.00 N ATOM 229 CA THR A 34 12.201 -6.039 -6.657 1.00 0.00 C ATOM 230 C THR A 34 13.628 -6.399 -7.043 1.00 0.00 C ATOM 231 O THR A 34 14.477 -5.516 -7.249 1.00 0.00 O ATOM 232 CB THR A 34 11.630 -4.975 -7.623 1.00 0.00 C ATOM 233 OG1 THR A 34 12.322 -3.740 -7.449 1.00 0.00 O ATOM 234 CG2 THR A 34 10.150 -4.757 -7.382 1.00 0.00 C ATOM 0 H THR A 34 12.697 -4.719 -5.136 1.00 0.00 H new ATOM 0 HA THR A 34 11.543 -6.904 -6.742 1.00 0.00 H new ATOM 0 HB THR A 34 11.768 -5.337 -8.642 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.256 -3.919 -7.211 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.776 -4.004 -8.075 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.614 -5.693 -7.539 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.994 -4.417 -6.358 1.00 0.00 H new ATOM 242 N GLY A 35 13.910 -7.663 -7.049 1.00 0.00 N ATOM 243 CA GLY A 35 15.222 -8.136 -7.360 1.00 0.00 C ATOM 244 C GLY A 35 15.450 -9.449 -6.693 1.00 0.00 C ATOM 245 O GLY A 35 14.516 -10.015 -6.127 1.00 0.00 O ATOM 0 H GLY A 35 13.235 -8.398 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.336 -8.240 -8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.968 -7.414 -7.029 1.00 0.00 H new ATOM 249 N SER A 36 16.646 -9.937 -6.731 1.00 0.00 N ATOM 250 CA SER A 36 16.933 -11.200 -6.126 1.00 0.00 C ATOM 251 C SER A 36 17.758 -10.974 -4.871 1.00 0.00 C ATOM 252 O SER A 36 18.883 -10.461 -4.936 1.00 0.00 O ATOM 253 CB SER A 36 17.666 -12.108 -7.126 1.00 0.00 C ATOM 254 OG SER A 36 17.869 -13.411 -6.605 1.00 0.00 O ATOM 0 H SER A 36 17.443 -9.481 -7.175 1.00 0.00 H new ATOM 0 HA SER A 36 16.006 -11.700 -5.846 1.00 0.00 H new ATOM 0 HB2 SER A 36 17.090 -12.172 -8.049 1.00 0.00 H new ATOM 0 HB3 SER A 36 18.629 -11.665 -7.381 1.00 0.00 H new ATOM 0 HG SER A 36 18.336 -13.960 -7.269 1.00 0.00 H new ATOM 260 N TRP A 37 17.195 -11.308 -3.736 1.00 0.00 N ATOM 261 CA TRP A 37 17.880 -11.136 -2.489 1.00 0.00 C ATOM 262 C TRP A 37 17.761 -12.396 -1.656 1.00 0.00 C ATOM 263 O TRP A 37 16.684 -12.729 -1.148 1.00 0.00 O ATOM 264 CB TRP A 37 17.303 -9.980 -1.676 1.00 0.00 C ATOM 265 CG TRP A 37 17.142 -8.679 -2.389 1.00 0.00 C ATOM 266 CD1 TRP A 37 15.989 -8.217 -2.888 1.00 0.00 C ATOM 267 CD2 TRP A 37 18.142 -7.670 -2.696 1.00 0.00 C ATOM 268 NE1 TRP A 37 16.158 -6.978 -3.422 1.00 0.00 N ATOM 269 CE2 TRP A 37 17.467 -6.623 -3.345 1.00 0.00 C ATOM 270 CE3 TRP A 37 19.520 -7.537 -2.482 1.00 0.00 C ATOM 271 CZ2 TRP A 37 18.106 -5.464 -3.778 1.00 0.00 C ATOM 272 CZ3 TRP A 37 20.152 -6.387 -2.918 1.00 0.00 C ATOM 273 CH2 TRP A 37 19.446 -5.367 -3.560 1.00 0.00 C ATOM 0 H TRP A 37 16.258 -11.703 -3.655 1.00 0.00 H new ATOM 0 HA TRP A 37 18.922 -10.919 -2.726 1.00 0.00 H new ATOM 0 HB2 TRP A 37 16.328 -10.284 -1.296 1.00 0.00 H new ATOM 0 HB3 TRP A 37 17.946 -9.817 -0.811 1.00 0.00 H new ATOM 0 HD1 TRP A 37 15.053 -8.755 -2.869 1.00 0.00 H new ATOM 0 HE1 TRP A 37 15.415 -6.403 -3.820 1.00 0.00 H new ATOM 0 HE3 TRP A 37 20.078 -8.318 -1.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 17.559 -4.672 -4.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 21.214 -6.275 -2.759 1.00 0.00 H new ATOM 0 HH2 TRP A 37 19.974 -4.484 -3.890 1.00 0.00 H new ATOM 284 N SER A 38 18.831 -13.098 -1.556 1.00 0.00 N ATOM 285 CA SER A 38 18.937 -14.263 -0.706 1.00 0.00 C ATOM 286 C SER A 38 20.413 -14.354 -0.369 1.00 0.00 C ATOM 287 O SER A 38 20.967 -15.404 -0.061 1.00 0.00 O ATOM 288 CB SER A 38 18.448 -15.511 -1.480 1.00 0.00 C ATOM 289 OG SER A 38 18.344 -16.647 -0.629 1.00 0.00 O ATOM 0 H SER A 38 19.687 -12.886 -2.069 1.00 0.00 H new ATOM 0 HA SER A 38 18.329 -14.200 0.196 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.478 -15.303 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 38 19.138 -15.728 -2.295 1.00 0.00 H new ATOM 0 HG SER A 38 19.162 -16.733 -0.096 1.00 0.00 H new ATOM 295 N ASP A 39 21.013 -13.200 -0.370 1.00 0.00 N ATOM 296 CA ASP A 39 22.441 -13.057 -0.328 1.00 0.00 C ATOM 297 C ASP A 39 22.869 -12.449 0.979 1.00 0.00 C ATOM 298 O ASP A 39 22.114 -12.492 1.958 1.00 0.00 O ATOM 299 CB ASP A 39 22.863 -12.169 -1.493 1.00 0.00 C ATOM 300 CG ASP A 39 22.344 -12.656 -2.830 1.00 0.00 C ATOM 301 OD1 ASP A 39 21.127 -12.463 -3.129 1.00 0.00 O ATOM 302 OD2 ASP A 39 23.130 -13.244 -3.611 1.00 0.00 O ATOM 0 H ASP A 39 20.513 -12.311 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 39 22.918 -14.034 -0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 39 22.503 -11.155 -1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 39 23.951 -12.120 -1.529 1.00 0.00 H new ATOM 307 N GLN A 40 24.075 -11.916 1.022 1.00 0.00 N ATOM 308 CA GLN A 40 24.570 -11.298 2.226 1.00 0.00 C ATOM 309 C GLN A 40 25.383 -10.041 1.926 1.00 0.00 C ATOM 310 O GLN A 40 24.955 -8.935 2.242 1.00 0.00 O ATOM 311 CB GLN A 40 25.380 -12.293 3.065 1.00 0.00 C ATOM 312 CG GLN A 40 25.897 -11.719 4.376 1.00 0.00 C ATOM 313 CD GLN A 40 26.667 -12.729 5.196 1.00 0.00 C ATOM 314 OE1 GLN A 40 26.099 -13.438 6.029 1.00 0.00 O ATOM 315 NE2 GLN A 40 27.950 -12.811 4.976 1.00 0.00 N ATOM 0 H GLN A 40 24.725 -11.901 0.236 1.00 0.00 H new ATOM 0 HA GLN A 40 23.704 -10.990 2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 40 24.758 -13.162 3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 40 26.226 -12.645 2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 40 26.539 -10.864 4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 40 25.056 -11.348 4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 40 28.387 -12.209 4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 40 28.516 -13.478 5.501 1.00 0.00 H new ATOM 324 N THR A 41 26.530 -10.190 1.299 1.00 0.00 N ATOM 325 CA THR A 41 27.389 -9.053 1.114 1.00 0.00 C ATOM 326 C THR A 41 27.193 -8.364 -0.238 1.00 0.00 C ATOM 327 O THR A 41 27.183 -9.004 -1.296 1.00 0.00 O ATOM 328 CB THR A 41 28.882 -9.397 1.379 1.00 0.00 C ATOM 329 OG1 THR A 41 29.341 -10.422 0.468 1.00 0.00 O ATOM 330 CG2 THR A 41 29.046 -9.918 2.796 1.00 0.00 C ATOM 0 H THR A 41 26.879 -11.069 0.918 1.00 0.00 H new ATOM 0 HA THR A 41 27.086 -8.327 1.869 1.00 0.00 H new ATOM 0 HB THR A 41 29.467 -8.489 1.234 1.00 0.00 H new ATOM 0 HG1 THR A 41 30.283 -10.623 0.650 1.00 0.00 H new ATOM 0 HG21 THR A 41 30.094 -10.158 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 41 28.721 -9.156 3.504 1.00 0.00 H new ATOM 0 HG23 THR A 41 28.441 -10.815 2.926 1.00 0.00 H new ATOM 338 N TYR A 42 27.001 -7.078 -0.188 1.00 0.00 N ATOM 339 CA TYR A 42 26.842 -6.243 -1.362 1.00 0.00 C ATOM 340 C TYR A 42 27.748 -5.036 -1.242 1.00 0.00 C ATOM 341 O TYR A 42 28.172 -4.714 -0.143 1.00 0.00 O ATOM 342 CB TYR A 42 25.378 -5.802 -1.543 1.00 0.00 C ATOM 343 CG TYR A 42 24.505 -6.843 -2.172 1.00 0.00 C ATOM 344 CD1 TYR A 42 24.493 -6.989 -3.547 1.00 0.00 C ATOM 345 CD2 TYR A 42 23.699 -7.677 -1.413 1.00 0.00 C ATOM 346 CE1 TYR A 42 23.710 -7.928 -4.159 1.00 0.00 C ATOM 347 CE2 TYR A 42 22.903 -8.627 -2.020 1.00 0.00 C ATOM 348 CZ TYR A 42 22.915 -8.747 -3.400 1.00 0.00 C ATOM 349 OH TYR A 42 22.137 -9.699 -4.022 1.00 0.00 O ATOM 0 H TYR A 42 26.948 -6.560 0.689 1.00 0.00 H new ATOM 0 HA TYR A 42 27.119 -6.822 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 42 24.966 -5.536 -0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 42 25.353 -4.902 -2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 42 25.116 -6.347 -4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 42 23.694 -7.583 -0.337 1.00 0.00 H new ATOM 0 HE1 TYR A 42 23.718 -8.024 -5.235 1.00 0.00 H new ATOM 0 HE2 TYR A 42 22.275 -9.272 -1.423 1.00 0.00 H new ATOM 0 HH TYR A 42 22.576 -9.991 -4.848 1.00 0.00 H new ATOM 359 N PRO A 43 28.109 -4.390 -2.349 1.00 0.00 N ATOM 360 CA PRO A 43 28.941 -3.186 -2.315 1.00 0.00 C ATOM 361 C PRO A 43 28.153 -1.958 -1.814 1.00 0.00 C ATOM 362 O PRO A 43 26.929 -1.856 -2.032 1.00 0.00 O ATOM 363 CB PRO A 43 29.359 -3.002 -3.782 1.00 0.00 C ATOM 364 CG PRO A 43 28.294 -3.679 -4.579 1.00 0.00 C ATOM 365 CD PRO A 43 27.766 -4.794 -3.727 1.00 0.00 C ATOM 0 HA PRO A 43 29.785 -3.284 -1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 43 29.434 -1.946 -4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 43 30.336 -3.446 -3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 43 27.499 -2.979 -4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 43 28.697 -4.064 -5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 43 26.690 -4.914 -3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 43 28.225 -5.747 -3.989 1.00 0.00 H new ATOM 373 N GLU A 44 28.835 -1.055 -1.121 1.00 0.00 N ATOM 374 CA GLU A 44 28.211 0.165 -0.628 1.00 0.00 C ATOM 375 C GLU A 44 27.785 1.009 -1.823 1.00 0.00 C ATOM 376 O GLU A 44 28.529 1.136 -2.809 1.00 0.00 O ATOM 377 CB GLU A 44 29.166 0.993 0.251 1.00 0.00 C ATOM 378 CG GLU A 44 28.445 2.088 1.028 1.00 0.00 C ATOM 379 CD GLU A 44 29.343 3.143 1.613 1.00 0.00 C ATOM 380 OE1 GLU A 44 29.929 3.913 0.842 1.00 0.00 O ATOM 381 OE2 GLU A 44 29.433 3.254 2.854 1.00 0.00 O ATOM 0 H GLU A 44 29.824 -1.146 -0.887 1.00 0.00 H new ATOM 0 HA GLU A 44 27.356 -0.117 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 44 29.676 0.331 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 44 29.934 1.444 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 44 27.725 2.570 0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 44 27.876 1.627 1.835 1.00 0.00 H new ATOM 388 N GLY A 45 26.619 1.564 -1.751 1.00 0.00 N ATOM 389 CA GLY A 45 26.113 2.334 -2.835 1.00 0.00 C ATOM 390 C GLY A 45 25.139 1.545 -3.648 1.00 0.00 C ATOM 391 O GLY A 45 24.713 1.981 -4.707 1.00 0.00 O ATOM 0 H GLY A 45 25.997 1.496 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.628 3.232 -2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 45 26.938 2.662 -3.468 1.00 0.00 H new ATOM 395 N THR A 46 24.790 0.374 -3.166 1.00 0.00 N ATOM 396 CA THR A 46 23.818 -0.447 -3.854 1.00 0.00 C ATOM 397 C THR A 46 22.402 -0.056 -3.502 1.00 0.00 C ATOM 398 O THR A 46 22.022 -0.077 -2.338 1.00 0.00 O ATOM 399 CB THR A 46 24.072 -1.960 -3.637 1.00 0.00 C ATOM 400 OG1 THR A 46 25.371 -2.299 -4.131 1.00 0.00 O ATOM 401 CG2 THR A 46 23.014 -2.840 -4.313 1.00 0.00 C ATOM 0 H THR A 46 25.161 -0.030 -2.306 1.00 0.00 H new ATOM 0 HA THR A 46 23.945 -0.259 -4.920 1.00 0.00 H new ATOM 0 HB THR A 46 24.009 -2.151 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 46 26.054 -1.962 -3.514 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.242 -3.890 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 46 22.031 -2.605 -3.906 1.00 0.00 H new ATOM 0 HG23 THR A 46 23.016 -2.652 -5.387 1.00 0.00 H new ATOM 409 N GLN A 47 21.645 0.346 -4.507 1.00 0.00 N ATOM 410 CA GLN A 47 20.299 0.754 -4.303 1.00 0.00 C ATOM 411 C GLN A 47 19.342 -0.421 -4.368 1.00 0.00 C ATOM 412 O GLN A 47 19.562 -1.385 -5.100 1.00 0.00 O ATOM 413 CB GLN A 47 19.917 1.862 -5.275 1.00 0.00 C ATOM 414 CG GLN A 47 19.938 1.474 -6.742 1.00 0.00 C ATOM 415 CD GLN A 47 19.744 2.667 -7.641 1.00 0.00 C ATOM 416 OE1 GLN A 47 19.043 3.648 -7.164 1.00 0.00 O flip ATOM 417 NE2 GLN A 47 20.243 2.704 -8.769 1.00 0.00 N flip ATOM 0 H GLN A 47 21.959 0.393 -5.476 1.00 0.00 H new ATOM 0 HA GLN A 47 20.219 1.162 -3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.917 2.214 -5.024 1.00 0.00 H new ATOM 0 HB3 GLN A 47 20.597 2.701 -5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.888 0.993 -6.977 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.154 0.742 -6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.789 1.913 -9.111 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.110 3.525 -9.359 1.00 0.00 H new ATOM 426 N ALA A 48 18.317 -0.336 -3.588 1.00 0.00 N ATOM 427 CA ALA A 48 17.306 -1.343 -3.513 1.00 0.00 C ATOM 428 C ALA A 48 16.004 -0.726 -3.936 1.00 0.00 C ATOM 429 O ALA A 48 15.575 0.297 -3.369 1.00 0.00 O ATOM 430 CB ALA A 48 17.196 -1.893 -2.099 1.00 0.00 C ATOM 0 H ALA A 48 18.153 0.456 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 48 17.562 -2.175 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.420 -2.658 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.150 -2.330 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.939 -1.085 -1.413 1.00 0.00 H new ATOM 436 N ILE A 49 15.418 -1.291 -4.940 1.00 0.00 N ATOM 437 CA ILE A 49 14.171 -0.822 -5.463 1.00 0.00 C ATOM 438 C ILE A 49 13.048 -1.614 -4.813 1.00 0.00 C ATOM 439 O ILE A 49 13.109 -2.862 -4.734 1.00 0.00 O ATOM 440 CB ILE A 49 14.137 -0.988 -7.003 1.00 0.00 C ATOM 441 CG1 ILE A 49 15.324 -0.238 -7.623 1.00 0.00 C ATOM 442 CG2 ILE A 49 12.820 -0.483 -7.577 1.00 0.00 C ATOM 443 CD1 ILE A 49 15.420 -0.350 -9.121 1.00 0.00 C ATOM 0 H ILE A 49 15.795 -2.103 -5.429 1.00 0.00 H new ATOM 0 HA ILE A 49 14.048 0.238 -5.240 1.00 0.00 H new ATOM 0 HB ILE A 49 14.216 -2.047 -7.246 1.00 0.00 H new ATOM 0 HG12 ILE A 49 15.252 0.816 -7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 49 16.247 -0.617 -7.183 1.00 0.00 H new ATOM 0 HG21 ILE A 49 12.822 -0.611 -8.659 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.994 -1.049 -7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.700 0.573 -7.337 1.00 0.00 H new ATOM 0 HD11 ILE A 49 16.287 0.210 -9.473 1.00 0.00 H new ATOM 0 HD12 ILE A 49 15.526 -1.398 -9.401 1.00 0.00 H new ATOM 0 HD13 ILE A 49 14.517 0.057 -9.575 1.00 0.00 H new ATOM 455 N TYR A 50 12.069 -0.915 -4.302 1.00 0.00 N ATOM 456 CA TYR A 50 10.974 -1.548 -3.637 1.00 0.00 C ATOM 457 C TYR A 50 9.710 -1.597 -4.451 1.00 0.00 C ATOM 458 O TYR A 50 9.476 -0.796 -5.363 1.00 0.00 O ATOM 459 CB TYR A 50 10.704 -0.925 -2.264 1.00 0.00 C ATOM 460 CG TYR A 50 11.723 -1.311 -1.225 1.00 0.00 C ATOM 461 CD1 TYR A 50 11.542 -2.443 -0.449 1.00 0.00 C ATOM 462 CD2 TYR A 50 12.869 -0.571 -1.035 1.00 0.00 C ATOM 463 CE1 TYR A 50 12.464 -2.826 0.485 1.00 0.00 C ATOM 464 CE2 TYR A 50 13.799 -0.945 -0.101 1.00 0.00 C ATOM 465 CZ TYR A 50 13.596 -2.073 0.657 1.00 0.00 C ATOM 466 OH TYR A 50 14.531 -2.441 1.590 1.00 0.00 O ATOM 0 H TYR A 50 12.013 0.103 -4.337 1.00 0.00 H new ATOM 0 HA TYR A 50 11.291 -2.582 -3.498 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.688 0.160 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 50 9.714 -1.229 -1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.651 -3.038 -0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 50 13.037 0.315 -1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.302 -3.712 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 50 14.692 -0.353 0.039 1.00 0.00 H new ATOM 0 HH TYR A 50 14.863 -1.643 2.053 1.00 0.00 H new ATOM 476 N LYS A 51 8.942 -2.578 -4.126 1.00 0.00 N ATOM 477 CA LYS A 51 7.639 -2.791 -4.610 1.00 0.00 C ATOM 478 C LYS A 51 6.716 -2.378 -3.500 1.00 0.00 C ATOM 479 O LYS A 51 6.750 -2.961 -2.414 1.00 0.00 O ATOM 480 CB LYS A 51 7.427 -4.281 -4.941 1.00 0.00 C ATOM 481 CG LYS A 51 6.032 -4.610 -5.406 1.00 0.00 C ATOM 482 CD LYS A 51 5.900 -6.052 -5.851 1.00 0.00 C ATOM 483 CE LYS A 51 4.473 -6.375 -6.281 1.00 0.00 C ATOM 484 NZ LYS A 51 4.006 -5.515 -7.385 1.00 0.00 N ATOM 0 H LYS A 51 9.237 -3.299 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 51 7.456 -2.223 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.136 -4.576 -5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.654 -4.876 -4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.327 -4.415 -4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.761 -3.951 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.583 -6.242 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.194 -6.714 -5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.418 -7.419 -6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.805 -6.259 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.122 -5.900 -7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.837 -4.553 -7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.729 -5.485 -8.132 1.00 0.00 H new ATOM 498 N CYS A 52 5.911 -1.397 -3.762 1.00 0.00 N ATOM 499 CA CYS A 52 4.961 -0.836 -2.796 1.00 0.00 C ATOM 500 C CYS A 52 3.805 -1.780 -2.463 1.00 0.00 C ATOM 501 O CYS A 52 2.866 -1.379 -1.834 1.00 0.00 O ATOM 502 CB CYS A 52 4.368 0.434 -3.386 1.00 0.00 C ATOM 503 SG CYS A 52 5.540 1.809 -3.587 1.00 0.00 S ATOM 0 H CYS A 52 5.879 -0.937 -4.672 1.00 0.00 H new ATOM 0 HA CYS A 52 5.514 -0.653 -1.875 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.938 0.198 -4.359 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.549 0.765 -2.748 1.00 0.00 H new ATOM 508 N ARG A 53 3.919 -3.031 -2.859 1.00 0.00 N ATOM 509 CA ARG A 53 2.835 -4.014 -2.799 1.00 0.00 C ATOM 510 C ARG A 53 1.718 -3.601 -3.792 1.00 0.00 C ATOM 511 O ARG A 53 1.594 -2.419 -4.166 1.00 0.00 O ATOM 512 CB ARG A 53 2.270 -4.221 -1.363 1.00 0.00 C ATOM 513 CG ARG A 53 3.297 -4.641 -0.334 1.00 0.00 C ATOM 514 CD ARG A 53 2.631 -5.072 0.957 1.00 0.00 C ATOM 515 NE ARG A 53 1.916 -6.351 0.805 1.00 0.00 N ATOM 516 CZ ARG A 53 0.948 -6.810 1.607 1.00 0.00 C ATOM 517 NH1 ARG A 53 0.402 -6.026 2.516 1.00 0.00 N ATOM 518 NH2 ARG A 53 0.504 -8.043 1.454 1.00 0.00 N ATOM 0 H ARG A 53 4.785 -3.410 -3.242 1.00 0.00 H new ATOM 0 HA ARG A 53 3.247 -4.981 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.804 -3.292 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.485 -4.976 -1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.897 -5.461 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.978 -3.813 -0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.384 -5.167 1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.931 -4.301 1.280 1.00 0.00 H new ATOM 0 HE ARG A 53 2.183 -6.940 0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.717 -5.061 2.612 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.335 -6.385 3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.898 -8.641 0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.234 -8.399 2.062 1.00 0.00 H new ATOM 532 N PRO A 54 0.928 -4.545 -4.278 1.00 0.00 N ATOM 533 CA PRO A 54 -0.123 -4.260 -5.271 1.00 0.00 C ATOM 534 C PRO A 54 -1.234 -3.285 -4.793 1.00 0.00 C ATOM 535 O PRO A 54 -2.065 -2.838 -5.592 1.00 0.00 O ATOM 536 CB PRO A 54 -0.686 -5.644 -5.615 1.00 0.00 C ATOM 537 CG PRO A 54 -0.287 -6.527 -4.482 1.00 0.00 C ATOM 538 CD PRO A 54 1.003 -5.981 -3.950 1.00 0.00 C ATOM 0 HA PRO A 54 0.295 -3.730 -6.127 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.770 -5.611 -5.724 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.281 -6.009 -6.559 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.054 -6.534 -3.707 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.163 -7.557 -4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.096 -6.143 -2.876 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.864 -6.456 -4.420 1.00 0.00 H new ATOM 546 N GLY A 55 -1.250 -2.951 -3.523 1.00 0.00 N ATOM 547 CA GLY A 55 -2.255 -2.046 -3.025 1.00 0.00 C ATOM 548 C GLY A 55 -1.734 -0.659 -2.694 1.00 0.00 C ATOM 549 O GLY A 55 -2.492 0.197 -2.241 1.00 0.00 O ATOM 0 H GLY A 55 -0.587 -3.288 -2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.048 -1.956 -3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.704 -2.476 -2.130 1.00 0.00 H new ATOM 553 N TYR A 56 -0.472 -0.401 -2.916 1.00 0.00 N ATOM 554 CA TYR A 56 0.057 0.900 -2.552 1.00 0.00 C ATOM 555 C TYR A 56 0.692 1.597 -3.746 1.00 0.00 C ATOM 556 O TYR A 56 0.826 1.012 -4.831 1.00 0.00 O ATOM 557 CB TYR A 56 1.031 0.809 -1.365 1.00 0.00 C ATOM 558 CG TYR A 56 0.444 0.182 -0.109 1.00 0.00 C ATOM 559 CD1 TYR A 56 0.306 -1.194 -0.003 1.00 0.00 C ATOM 560 CD2 TYR A 56 0.034 0.956 0.958 1.00 0.00 C ATOM 561 CE1 TYR A 56 -0.222 -1.778 1.115 1.00 0.00 C ATOM 562 CE2 TYR A 56 -0.499 0.377 2.091 1.00 0.00 C ATOM 563 CZ TYR A 56 -0.627 -0.990 2.160 1.00 0.00 C ATOM 564 OH TYR A 56 -1.157 -1.575 3.283 1.00 0.00 O ATOM 0 H TYR A 56 0.197 -1.048 -3.334 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.785 1.511 -2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.902 0.230 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.383 1.812 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.623 -1.820 -0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.132 2.030 0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.319 -2.852 1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.814 0.994 2.919 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.394 -0.881 3.933 1.00 0.00 H new ATOM 574 N ARG A 57 1.073 2.834 -3.540 1.00 0.00 N ATOM 575 CA ARG A 57 1.617 3.693 -4.570 1.00 0.00 C ATOM 576 C ARG A 57 2.607 4.678 -3.939 1.00 0.00 C ATOM 577 O ARG A 57 2.905 4.595 -2.751 1.00 0.00 O ATOM 578 CB ARG A 57 0.478 4.513 -5.195 1.00 0.00 C ATOM 579 CG ARG A 57 -0.227 5.399 -4.171 1.00 0.00 C ATOM 580 CD ARG A 57 -1.195 6.358 -4.805 1.00 0.00 C ATOM 581 NE ARG A 57 -1.834 7.210 -3.794 1.00 0.00 N ATOM 582 CZ ARG A 57 -1.925 8.550 -3.860 1.00 0.00 C ATOM 583 NH1 ARG A 57 -1.241 9.232 -4.783 1.00 0.00 N ATOM 584 NH2 ARG A 57 -2.652 9.205 -2.970 1.00 0.00 N ATOM 0 H ARG A 57 1.013 3.286 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 57 2.112 3.080 -5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.878 5.135 -5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.247 3.837 -5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.759 4.770 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.518 5.960 -3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.672 6.980 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.957 5.802 -5.351 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.240 6.750 -2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.644 8.736 -5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.316 10.248 -4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.142 8.694 -2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.723 10.221 -3.018 1.00 0.00 H new ATOM 598 N SER A 58 3.058 5.614 -4.742 1.00 0.00 N ATOM 599 CA SER A 58 3.926 6.694 -4.350 1.00 0.00 C ATOM 600 C SER A 58 4.065 7.606 -5.558 1.00 0.00 C ATOM 601 O SER A 58 3.723 7.201 -6.682 1.00 0.00 O ATOM 602 CB SER A 58 5.303 6.140 -3.870 1.00 0.00 C ATOM 603 OG SER A 58 6.263 7.168 -3.648 1.00 0.00 O ATOM 0 H SER A 58 2.817 5.642 -5.733 1.00 0.00 H new ATOM 0 HA SER A 58 3.515 7.253 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.161 5.576 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.689 5.443 -4.614 1.00 0.00 H new ATOM 0 HG SER A 58 7.106 6.769 -3.347 1.00 0.00 H new ATOM 609 N LEU A 59 4.513 8.829 -5.352 1.00 0.00 N ATOM 610 CA LEU A 59 4.736 9.756 -6.451 1.00 0.00 C ATOM 611 C LEU A 59 6.060 9.439 -7.135 1.00 0.00 C ATOM 612 O LEU A 59 6.399 9.996 -8.184 1.00 0.00 O ATOM 613 CB LEU A 59 4.701 11.205 -5.970 1.00 0.00 C ATOM 614 CG LEU A 59 3.343 11.743 -5.492 1.00 0.00 C ATOM 615 CD1 LEU A 59 3.466 13.205 -5.105 1.00 0.00 C ATOM 616 CD2 LEU A 59 2.276 11.580 -6.568 1.00 0.00 C ATOM 0 H LEU A 59 4.731 9.208 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 59 3.930 9.635 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.415 11.309 -5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.052 11.841 -6.782 1.00 0.00 H new ATOM 0 HG LEU A 59 3.040 11.163 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.498 13.575 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.194 13.308 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.795 13.783 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.326 11.969 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.573 12.130 -7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.165 10.524 -6.813 1.00 0.00 H new ATOM 628 N GLY A 60 6.788 8.551 -6.526 1.00 0.00 N ATOM 629 CA GLY A 60 8.007 8.050 -7.062 1.00 0.00 C ATOM 630 C GLY A 60 8.094 6.605 -6.710 1.00 0.00 C ATOM 631 O GLY A 60 7.162 5.839 -7.010 1.00 0.00 O ATOM 0 H GLY A 60 6.540 8.149 -5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.033 8.183 -8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.858 8.595 -6.653 1.00 0.00 H new ATOM 635 N ASN A 61 9.143 6.219 -6.060 1.00 0.00 N ATOM 636 CA ASN A 61 9.268 4.865 -5.598 1.00 0.00 C ATOM 637 C ASN A 61 10.199 4.849 -4.416 1.00 0.00 C ATOM 638 O ASN A 61 11.063 5.728 -4.302 1.00 0.00 O ATOM 639 CB ASN A 61 9.816 3.947 -6.700 1.00 0.00 C ATOM 640 CG ASN A 61 9.628 2.495 -6.339 1.00 0.00 C ATOM 641 OD1 ASN A 61 8.699 2.152 -5.595 1.00 0.00 O ATOM 642 ND2 ASN A 61 10.452 1.640 -6.867 1.00 0.00 N ATOM 0 H ASN A 61 9.933 6.822 -5.833 1.00 0.00 H new ATOM 0 HA ASN A 61 8.282 4.494 -5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.309 4.160 -7.641 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.875 4.152 -6.856 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.347 0.644 -6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.204 1.965 -7.475 1.00 0.00 H new ATOM 649 N VAL A 62 10.018 3.904 -3.519 1.00 0.00 N ATOM 650 CA VAL A 62 10.905 3.787 -2.392 1.00 0.00 C ATOM 651 C VAL A 62 12.199 3.173 -2.846 1.00 0.00 C ATOM 652 O VAL A 62 12.278 1.975 -3.149 1.00 0.00 O ATOM 653 CB VAL A 62 10.303 2.979 -1.214 1.00 0.00 C ATOM 654 CG1 VAL A 62 11.317 2.819 -0.080 1.00 0.00 C ATOM 655 CG2 VAL A 62 9.084 3.682 -0.692 1.00 0.00 C ATOM 0 H VAL A 62 9.269 3.212 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 62 11.075 4.792 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 62 10.035 1.989 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 62 10.867 2.248 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.197 2.292 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.611 3.802 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.662 3.112 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.359 4.678 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.344 3.767 -1.488 1.00 0.00 H new ATOM 665 N ILE A 63 13.174 4.008 -2.978 1.00 0.00 N ATOM 666 CA ILE A 63 14.467 3.592 -3.368 1.00 0.00 C ATOM 667 C ILE A 63 15.381 3.756 -2.190 1.00 0.00 C ATOM 668 O ILE A 63 15.500 4.856 -1.612 1.00 0.00 O ATOM 669 CB ILE A 63 14.999 4.416 -4.577 1.00 0.00 C ATOM 670 CG1 ILE A 63 14.008 4.337 -5.762 1.00 0.00 C ATOM 671 CG2 ILE A 63 16.391 3.921 -4.998 1.00 0.00 C ATOM 672 CD1 ILE A 63 13.741 2.936 -6.252 1.00 0.00 C ATOM 0 H ILE A 63 13.088 5.011 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 63 14.427 2.550 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 63 15.087 5.459 -4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 63 13.064 4.791 -5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 63 14.399 4.931 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 63 16.746 4.509 -5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 63 17.084 4.031 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 63 16.332 2.871 -5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 63 13.037 2.969 -7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 63 14.675 2.483 -6.586 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.318 2.342 -5.442 1.00 0.00 H new ATOM 684 N MET A 64 15.966 2.686 -1.794 1.00 0.00 N ATOM 685 CA MET A 64 16.904 2.696 -0.718 1.00 0.00 C ATOM 686 C MET A 64 18.265 2.438 -1.267 1.00 0.00 C ATOM 687 O MET A 64 18.392 2.109 -2.431 1.00 0.00 O ATOM 688 CB MET A 64 16.540 1.674 0.353 1.00 0.00 C ATOM 689 CG MET A 64 15.330 2.078 1.184 1.00 0.00 C ATOM 690 SD MET A 64 14.890 0.862 2.442 1.00 0.00 S ATOM 691 CE MET A 64 16.351 0.890 3.463 1.00 0.00 C ATOM 0 H MET A 64 15.810 1.767 -2.207 1.00 0.00 H new ATOM 0 HA MET A 64 16.884 3.673 -0.236 1.00 0.00 H new ATOM 0 HB2 MET A 64 16.341 0.714 -0.123 1.00 0.00 H new ATOM 0 HB3 MET A 64 17.395 1.531 1.014 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.533 3.034 1.668 1.00 0.00 H new ATOM 0 HG3 MET A 64 14.478 2.230 0.522 1.00 0.00 H new ATOM 0 HE1 MET A 64 16.061 0.975 4.510 1.00 0.00 H new ATOM 0 HE2 MET A 64 16.915 -0.031 3.316 1.00 0.00 H new ATOM 0 HE3 MET A 64 16.971 1.743 3.188 1.00 0.00 H new ATOM 701 N VAL A 65 19.265 2.604 -0.474 1.00 0.00 N ATOM 702 CA VAL A 65 20.615 2.363 -0.909 1.00 0.00 C ATOM 703 C VAL A 65 21.479 2.011 0.291 1.00 0.00 C ATOM 704 O VAL A 65 21.275 2.517 1.387 1.00 0.00 O ATOM 705 CB VAL A 65 21.207 3.569 -1.725 1.00 0.00 C ATOM 706 CG1 VAL A 65 21.576 4.709 -0.860 1.00 0.00 C ATOM 707 CG2 VAL A 65 22.389 3.182 -2.563 1.00 0.00 C ATOM 0 H VAL A 65 19.181 2.910 0.495 1.00 0.00 H new ATOM 0 HA VAL A 65 20.607 1.518 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 65 20.401 3.879 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 65 21.980 5.515 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 65 20.693 5.064 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 65 22.328 4.390 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 65 22.754 4.056 -3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 65 23.180 2.796 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 65 22.093 2.412 -3.276 1.00 0.00 H new ATOM 717 N CYS A 66 22.361 1.115 0.091 1.00 0.00 N ATOM 718 CA CYS A 66 23.239 0.633 1.117 1.00 0.00 C ATOM 719 C CYS A 66 24.375 1.608 1.337 1.00 0.00 C ATOM 720 O CYS A 66 25.041 2.002 0.384 1.00 0.00 O ATOM 721 CB CYS A 66 23.787 -0.686 0.659 1.00 0.00 C ATOM 722 SG CYS A 66 24.730 -1.617 1.879 1.00 0.00 S ATOM 0 H CYS A 66 22.510 0.672 -0.816 1.00 0.00 H new ATOM 0 HA CYS A 66 22.698 0.524 2.057 1.00 0.00 H new ATOM 0 HB2 CYS A 66 22.955 -1.305 0.322 1.00 0.00 H new ATOM 0 HB3 CYS A 66 24.425 -0.511 -0.207 1.00 0.00 H new ATOM 727 N ARG A 67 24.587 2.001 2.569 1.00 0.00 N ATOM 728 CA ARG A 67 25.648 2.896 2.916 1.00 0.00 C ATOM 729 C ARG A 67 26.090 2.592 4.341 1.00 0.00 C ATOM 730 O ARG A 67 25.252 2.560 5.250 1.00 0.00 O ATOM 731 CB ARG A 67 25.191 4.354 2.799 1.00 0.00 C ATOM 732 CG ARG A 67 26.333 5.355 2.845 1.00 0.00 C ATOM 733 CD ARG A 67 25.837 6.786 2.740 1.00 0.00 C ATOM 734 NE ARG A 67 25.093 7.210 3.936 1.00 0.00 N ATOM 735 CZ ARG A 67 24.538 8.423 4.093 1.00 0.00 C ATOM 736 NH1 ARG A 67 24.495 9.278 3.079 1.00 0.00 N ATOM 737 NH2 ARG A 67 24.006 8.766 5.256 1.00 0.00 N ATOM 0 H ARG A 67 24.019 1.702 3.362 1.00 0.00 H new ATOM 0 HA ARG A 67 26.482 2.755 2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 67 24.645 4.481 1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 67 24.494 4.573 3.608 1.00 0.00 H new ATOM 0 HG2 ARG A 67 26.887 5.230 3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 67 27.028 5.151 2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 67 26.686 7.452 2.589 1.00 0.00 H new ATOM 0 HD3 ARG A 67 25.196 6.882 1.864 1.00 0.00 H new ATOM 0 HE ARG A 67 24.992 6.538 4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 67 24.885 9.016 2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 67 24.072 10.198 3.205 1.00 0.00 H new ATOM 0 HH21 ARG A 67 24.017 8.108 6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 67 23.585 9.688 5.372 1.00 0.00 H new ATOM 751 N LYS A 68 27.390 2.343 4.528 1.00 0.00 N ATOM 752 CA LYS A 68 27.984 2.025 5.845 1.00 0.00 C ATOM 753 C LYS A 68 27.448 0.744 6.425 1.00 0.00 C ATOM 754 O LYS A 68 27.298 0.603 7.635 1.00 0.00 O ATOM 755 CB LYS A 68 27.809 3.173 6.818 1.00 0.00 C ATOM 756 CG LYS A 68 28.528 4.434 6.362 1.00 0.00 C ATOM 757 CD LYS A 68 30.038 4.197 6.246 1.00 0.00 C ATOM 758 CE LYS A 68 30.754 5.372 5.615 1.00 0.00 C ATOM 759 NZ LYS A 68 30.289 5.632 4.231 1.00 0.00 N ATOM 0 H LYS A 68 28.071 2.355 3.769 1.00 0.00 H new ATOM 0 HA LYS A 68 29.051 1.877 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 68 26.747 3.386 6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 68 28.186 2.877 7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 68 28.132 4.754 5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 68 28.337 5.241 7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 68 30.452 4.011 7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 68 30.219 3.301 5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 68 30.595 6.262 6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 68 31.827 5.180 5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 31.067 6.041 3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 29.983 4.739 3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 29.491 6.298 4.252 1.00 0.00 H new ATOM 773 N GLY A 69 27.187 -0.190 5.572 1.00 0.00 N ATOM 774 CA GLY A 69 26.737 -1.477 6.007 1.00 0.00 C ATOM 775 C GLY A 69 25.256 -1.529 6.252 1.00 0.00 C ATOM 776 O GLY A 69 24.699 -2.613 6.447 1.00 0.00 O ATOM 0 H GLY A 69 27.277 -0.088 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 69 27.002 -2.221 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.261 -1.748 6.923 1.00 0.00 H new ATOM 780 N GLU A 70 24.605 -0.393 6.292 1.00 0.00 N ATOM 781 CA GLU A 70 23.186 -0.407 6.464 1.00 0.00 C ATOM 782 C GLU A 70 22.492 -0.010 5.196 1.00 0.00 C ATOM 783 O GLU A 70 23.097 0.557 4.295 1.00 0.00 O ATOM 784 CB GLU A 70 22.724 0.425 7.670 1.00 0.00 C ATOM 785 CG GLU A 70 23.130 1.882 7.674 1.00 0.00 C ATOM 786 CD GLU A 70 22.704 2.551 8.952 1.00 0.00 C ATOM 787 OE1 GLU A 70 23.398 2.390 9.968 1.00 0.00 O ATOM 788 OE2 GLU A 70 21.642 3.208 8.979 1.00 0.00 O ATOM 0 H GLU A 70 25.029 0.531 6.209 1.00 0.00 H new ATOM 0 HA GLU A 70 22.898 -1.433 6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 70 21.637 0.373 7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 70 23.112 -0.041 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 70 24.211 1.963 7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 70 22.679 2.392 6.823 1.00 0.00 H new ATOM 795 N TRP A 71 21.247 -0.291 5.135 1.00 0.00 N ATOM 796 CA TRP A 71 20.464 0.003 3.998 1.00 0.00 C ATOM 797 C TRP A 71 19.653 1.164 4.366 1.00 0.00 C ATOM 798 O TRP A 71 18.828 1.103 5.284 1.00 0.00 O ATOM 799 CB TRP A 71 19.614 -1.192 3.568 1.00 0.00 C ATOM 800 CG TRP A 71 20.402 -2.317 2.936 1.00 0.00 C ATOM 801 CD1 TRP A 71 21.056 -3.343 3.568 1.00 0.00 C ATOM 802 CD2 TRP A 71 20.601 -2.523 1.533 1.00 0.00 C ATOM 803 NE1 TRP A 71 21.641 -4.173 2.634 1.00 0.00 N ATOM 804 CE2 TRP A 71 21.379 -3.688 1.380 1.00 0.00 C ATOM 805 CE3 TRP A 71 20.193 -1.835 0.390 1.00 0.00 C ATOM 806 CZ2 TRP A 71 21.755 -4.175 0.123 1.00 0.00 C ATOM 807 CZ3 TRP A 71 20.568 -2.320 -0.845 1.00 0.00 C ATOM 808 CH2 TRP A 71 21.339 -3.477 -0.970 1.00 0.00 C ATOM 0 H TRP A 71 20.732 -0.742 5.891 1.00 0.00 H new ATOM 0 HA TRP A 71 21.086 0.223 3.130 1.00 0.00 H new ATOM 0 HB2 TRP A 71 19.084 -1.579 4.438 1.00 0.00 H new ATOM 0 HB3 TRP A 71 18.858 -0.850 2.861 1.00 0.00 H new ATOM 0 HD1 TRP A 71 21.106 -3.481 4.638 1.00 0.00 H new ATOM 0 HE1 TRP A 71 22.181 -5.012 2.843 1.00 0.00 H new ATOM 0 HE3 TRP A 71 19.595 -0.939 0.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 22.352 -5.070 0.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 20.258 -1.793 -1.735 1.00 0.00 H new ATOM 0 HH2 TRP A 71 21.612 -3.826 -1.955 1.00 0.00 H new ATOM 819 N VAL A 72 19.906 2.227 3.725 1.00 0.00 N ATOM 820 CA VAL A 72 19.336 3.415 4.089 1.00 0.00 C ATOM 821 C VAL A 72 18.593 4.007 2.970 1.00 0.00 C ATOM 822 O VAL A 72 18.374 3.390 1.955 1.00 0.00 O ATOM 823 CB VAL A 72 20.408 4.318 4.612 1.00 0.00 C ATOM 824 CG1 VAL A 72 21.348 4.990 3.635 1.00 0.00 C ATOM 825 CG2 VAL A 72 20.081 5.024 5.865 1.00 0.00 C ATOM 0 H VAL A 72 20.529 2.280 2.919 1.00 0.00 H new ATOM 0 HA VAL A 72 18.604 3.254 4.881 1.00 0.00 H new ATOM 0 HB VAL A 72 21.139 3.582 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 72 22.061 5.607 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 72 21.886 4.231 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 72 20.775 5.617 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 72 20.922 5.652 6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 72 19.199 5.647 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 72 19.879 4.296 6.651 1.00 0.00 H new ATOM 835 N ALA A 73 18.266 5.173 3.145 1.00 0.00 N ATOM 836 CA ALA A 73 17.357 5.842 2.309 1.00 0.00 C ATOM 837 C ALA A 73 18.010 6.719 1.259 1.00 0.00 C ATOM 838 O ALA A 73 18.672 7.720 1.572 1.00 0.00 O ATOM 839 CB ALA A 73 16.474 6.626 3.183 1.00 0.00 C ATOM 0 H ALA A 73 18.625 5.748 3.907 1.00 0.00 H new ATOM 0 HA ALA A 73 16.803 5.103 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.747 7.166 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 73 15.951 5.957 3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.068 7.338 3.756 1.00 0.00 H new ATOM 845 N LEU A 74 17.842 6.318 0.018 1.00 0.00 N ATOM 846 CA LEU A 74 18.247 7.111 -1.117 1.00 0.00 C ATOM 847 C LEU A 74 17.227 8.220 -1.218 1.00 0.00 C ATOM 848 O LEU A 74 17.559 9.398 -1.250 1.00 0.00 O ATOM 849 CB LEU A 74 18.172 6.248 -2.387 1.00 0.00 C ATOM 850 CG LEU A 74 18.814 6.773 -3.706 1.00 0.00 C ATOM 851 CD1 LEU A 74 18.268 8.108 -4.202 1.00 0.00 C ATOM 852 CD2 LEU A 74 20.323 6.777 -3.635 1.00 0.00 C ATOM 0 H LEU A 74 17.417 5.425 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 74 19.263 7.492 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 74 18.634 5.288 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.119 6.055 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 74 18.509 6.052 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.777 8.389 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.198 8.016 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.438 8.874 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.730 7.150 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.647 7.421 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 74 20.682 5.763 -3.461 1.00 0.00 H new ATOM 864 N ASN A 75 15.972 7.825 -1.252 1.00 0.00 N ATOM 865 CA ASN A 75 14.887 8.764 -1.354 1.00 0.00 C ATOM 866 C ASN A 75 14.084 8.823 -0.061 1.00 0.00 C ATOM 867 O ASN A 75 13.168 8.033 0.132 1.00 0.00 O ATOM 868 CB ASN A 75 13.938 8.430 -2.518 1.00 0.00 C ATOM 869 CG ASN A 75 14.506 8.664 -3.906 1.00 0.00 C ATOM 870 OD1 ASN A 75 15.301 9.695 -4.071 1.00 0.00 O flip ATOM 871 ND2 ASN A 75 14.179 7.942 -4.843 1.00 0.00 N flip ATOM 0 H ASN A 75 15.681 6.848 -1.210 1.00 0.00 H new ATOM 0 HA ASN A 75 15.343 9.736 -1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.643 7.384 -2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.032 9.026 -2.409 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.559 7.148 -4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.527 8.136 -5.782 1.00 0.00 H new ATOM 878 N PRO A 76 14.423 9.742 0.855 1.00 0.00 N ATOM 879 CA PRO A 76 13.691 9.900 2.122 1.00 0.00 C ATOM 880 C PRO A 76 12.365 10.657 1.930 1.00 0.00 C ATOM 881 O PRO A 76 11.619 10.887 2.871 1.00 0.00 O ATOM 882 CB PRO A 76 14.655 10.722 2.979 1.00 0.00 C ATOM 883 CG PRO A 76 15.455 11.511 1.999 1.00 0.00 C ATOM 884 CD PRO A 76 15.572 10.668 0.767 1.00 0.00 C ATOM 0 HA PRO A 76 13.415 8.943 2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.116 11.374 3.666 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.293 10.079 3.585 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.967 12.460 1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 76 16.440 11.746 2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.527 11.275 -0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.518 10.128 0.742 1.00 0.00 H new ATOM 892 N LEU A 77 12.095 11.061 0.702 1.00 0.00 N ATOM 893 CA LEU A 77 10.865 11.764 0.372 1.00 0.00 C ATOM 894 C LEU A 77 9.808 10.773 -0.079 1.00 0.00 C ATOM 895 O LEU A 77 8.652 11.136 -0.323 1.00 0.00 O ATOM 896 CB LEU A 77 11.082 12.792 -0.764 1.00 0.00 C ATOM 897 CG LEU A 77 12.067 13.952 -0.535 1.00 0.00 C ATOM 898 CD1 LEU A 77 11.779 14.692 0.755 1.00 0.00 C ATOM 899 CD2 LEU A 77 13.521 13.506 -0.623 1.00 0.00 C ATOM 0 H LEU A 77 12.718 10.913 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 77 10.542 12.291 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.416 12.244 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.112 13.226 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 77 11.910 14.658 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.497 15.503 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.770 15.103 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.862 14.003 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.175 14.362 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.715 12.746 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.715 13.091 -1.612 1.00 0.00 H new ATOM 911 N ARG A 78 10.196 9.526 -0.195 1.00 0.00 N ATOM 912 CA ARG A 78 9.309 8.518 -0.700 1.00 0.00 C ATOM 913 C ARG A 78 8.956 7.530 0.368 1.00 0.00 C ATOM 914 O ARG A 78 9.768 7.211 1.234 1.00 0.00 O ATOM 915 CB ARG A 78 9.939 7.760 -1.861 1.00 0.00 C ATOM 916 CG ARG A 78 10.355 8.607 -3.045 1.00 0.00 C ATOM 917 CD ARG A 78 9.201 9.351 -3.679 1.00 0.00 C ATOM 918 NE ARG A 78 9.630 10.003 -4.919 1.00 0.00 N ATOM 919 CZ ARG A 78 9.124 11.134 -5.432 1.00 0.00 C ATOM 920 NH1 ARG A 78 8.195 11.820 -4.777 1.00 0.00 N ATOM 921 NH2 ARG A 78 9.568 11.576 -6.600 1.00 0.00 N ATOM 0 H ARG A 78 11.125 9.189 0.056 1.00 0.00 H new ATOM 0 HA ARG A 78 8.410 9.031 -1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.816 7.228 -1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.231 7.007 -2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.109 9.325 -2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.823 7.968 -3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.386 8.659 -3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.815 10.097 -2.984 1.00 0.00 H new ATOM 0 HE ARG A 78 10.384 9.555 -5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.858 11.488 -3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.818 12.679 -5.178 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.289 11.057 -7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.189 12.435 -6.998 1.00 0.00 H new ATOM 935 N LYS A 79 7.752 7.077 0.302 1.00 0.00 N ATOM 936 CA LYS A 79 7.237 6.034 1.122 1.00 0.00 C ATOM 937 C LYS A 79 6.094 5.475 0.324 1.00 0.00 C ATOM 938 O LYS A 79 5.487 6.218 -0.474 1.00 0.00 O ATOM 939 CB LYS A 79 6.736 6.560 2.490 1.00 0.00 C ATOM 940 CG LYS A 79 5.489 7.425 2.409 1.00 0.00 C ATOM 941 CD LYS A 79 5.022 7.927 3.769 1.00 0.00 C ATOM 942 CE LYS A 79 5.958 8.962 4.373 1.00 0.00 C ATOM 943 NZ LYS A 79 6.063 10.184 3.549 1.00 0.00 N ATOM 0 H LYS A 79 7.065 7.442 -0.358 1.00 0.00 H new ATOM 0 HA LYS A 79 8.001 5.294 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.532 5.709 3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.534 7.136 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.688 8.279 1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.686 6.853 1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.027 8.360 3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.934 7.082 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.604 9.229 5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.949 8.524 4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.512 10.940 4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.638 9.986 2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.113 10.488 3.256 1.00 0.00 H new ATOM 957 N CYS A 80 5.836 4.227 0.435 1.00 0.00 N ATOM 958 CA CYS A 80 4.725 3.672 -0.265 1.00 0.00 C ATOM 959 C CYS A 80 3.461 3.885 0.536 1.00 0.00 C ATOM 960 O CYS A 80 3.314 3.373 1.658 1.00 0.00 O ATOM 961 CB CYS A 80 4.965 2.211 -0.620 1.00 0.00 C ATOM 962 SG CYS A 80 6.391 1.975 -1.753 1.00 0.00 S ATOM 0 H CYS A 80 6.371 3.567 0.999 1.00 0.00 H new ATOM 0 HA CYS A 80 4.603 4.190 -1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.137 1.644 0.295 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.067 1.803 -1.084 1.00 0.00 H new ATOM 967 N GLN A 81 2.592 4.704 -0.011 1.00 0.00 N ATOM 968 CA GLN A 81 1.340 5.070 0.627 1.00 0.00 C ATOM 969 C GLN A 81 0.214 4.357 -0.059 1.00 0.00 C ATOM 970 O GLN A 81 0.389 3.862 -1.160 1.00 0.00 O ATOM 971 CB GLN A 81 1.120 6.585 0.564 1.00 0.00 C ATOM 972 CG GLN A 81 2.229 7.377 1.218 1.00 0.00 C ATOM 973 CD GLN A 81 1.960 8.863 1.303 1.00 0.00 C ATOM 974 OE1 GLN A 81 0.817 9.302 1.405 1.00 0.00 O ATOM 975 NE2 GLN A 81 3.007 9.646 1.240 1.00 0.00 N ATOM 0 H GLN A 81 2.733 5.142 -0.922 1.00 0.00 H new ATOM 0 HA GLN A 81 1.376 4.778 1.677 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.032 6.889 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.174 6.828 1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.393 6.990 2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.152 7.217 0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.940 9.244 1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.889 10.659 1.275 1.00 0.00 H new ATOM 984 N LYS A 82 -0.924 4.312 0.570 1.00 0.00 N ATOM 985 CA LYS A 82 -2.078 3.610 0.033 1.00 0.00 C ATOM 986 C LYS A 82 -2.558 4.240 -1.261 1.00 0.00 C ATOM 987 O LYS A 82 -2.499 5.476 -1.442 1.00 0.00 O ATOM 988 CB LYS A 82 -3.209 3.618 1.041 1.00 0.00 C ATOM 989 CG LYS A 82 -2.882 2.949 2.357 1.00 0.00 C ATOM 990 CD LYS A 82 -4.047 3.073 3.290 1.00 0.00 C ATOM 991 CE LYS A 82 -3.768 2.505 4.661 1.00 0.00 C ATOM 992 NZ LYS A 82 -4.938 2.684 5.546 1.00 0.00 N ATOM 0 H LYS A 82 -1.090 4.758 1.472 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.773 2.584 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.498 4.651 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.074 3.122 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.646 1.898 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.999 3.409 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.318 4.124 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.907 2.561 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.526 1.445 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.898 2.998 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.615 2.815 6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.477 3.521 5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.547 1.843 5.491 1.00 0.00 H new ATOM 1006 N ARG A 83 -3.002 3.414 -2.171 1.00 0.00 N ATOM 1007 CA ARG A 83 -3.542 3.908 -3.398 1.00 0.00 C ATOM 1008 C ARG A 83 -5.005 4.252 -3.142 1.00 0.00 C ATOM 1009 O ARG A 83 -5.644 3.610 -2.291 1.00 0.00 O ATOM 1010 CB ARG A 83 -3.346 2.880 -4.543 1.00 0.00 C ATOM 1011 CG ARG A 83 -4.235 1.635 -4.505 1.00 0.00 C ATOM 1012 CD ARG A 83 -3.689 0.547 -5.437 1.00 0.00 C ATOM 1013 NE ARG A 83 -3.309 1.072 -6.756 1.00 0.00 N ATOM 1014 CZ ARG A 83 -2.513 0.442 -7.647 1.00 0.00 C ATOM 1015 NH1 ARG A 83 -2.142 -0.820 -7.460 1.00 0.00 N ATOM 1016 NH2 ARG A 83 -2.102 1.079 -8.736 1.00 0.00 N ATOM 0 H ARG A 83 -2.998 2.398 -2.081 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.020 4.806 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.514 3.390 -5.491 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.305 2.556 -4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.290 1.253 -3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.250 1.898 -4.802 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.821 0.078 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.443 -0.230 -5.563 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.676 1.986 -7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.459 -1.328 -6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.541 -1.281 -8.143 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.387 2.044 -8.900 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.501 0.603 -9.409 1.00 0.00 H new ATOM 1030 N PRO A 84 -5.535 5.295 -3.780 1.00 0.00 N ATOM 1031 CA PRO A 84 -6.902 5.705 -3.553 1.00 0.00 C ATOM 1032 C PRO A 84 -7.884 4.745 -4.228 1.00 0.00 C ATOM 1033 O PRO A 84 -7.530 4.041 -5.175 1.00 0.00 O ATOM 1034 CB PRO A 84 -6.971 7.094 -4.187 1.00 0.00 C ATOM 1035 CG PRO A 84 -5.951 7.061 -5.267 1.00 0.00 C ATOM 1036 CD PRO A 84 -4.860 6.151 -4.781 1.00 0.00 C ATOM 0 HA PRO A 84 -7.172 5.707 -2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -7.965 7.300 -4.586 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.752 7.874 -3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.381 6.692 -6.198 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -5.564 8.060 -5.469 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.440 5.560 -5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -4.038 6.713 -4.338 1.00 0.00 H new ATOM 1044 N CYS A 85 -9.096 4.719 -3.756 1.00 0.00 N ATOM 1045 CA CYS A 85 -10.082 3.782 -4.287 1.00 0.00 C ATOM 1046 C CYS A 85 -11.115 4.504 -5.125 1.00 0.00 C ATOM 1047 O CYS A 85 -12.129 3.934 -5.532 1.00 0.00 O ATOM 1048 CB CYS A 85 -10.754 3.074 -3.146 1.00 0.00 C ATOM 1049 SG CYS A 85 -9.595 2.478 -1.900 1.00 0.00 S ATOM 0 H CYS A 85 -9.438 5.325 -3.010 1.00 0.00 H new ATOM 0 HA CYS A 85 -9.574 3.058 -4.924 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -11.467 3.751 -2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -11.325 2.231 -3.535 1.00 0.00 H new ATOM 1054 N GLY A 86 -10.869 5.761 -5.353 1.00 0.00 N ATOM 1055 CA GLY A 86 -11.749 6.554 -6.160 1.00 0.00 C ATOM 1056 C GLY A 86 -13.030 6.893 -5.455 1.00 0.00 C ATOM 1057 O GLY A 86 -13.059 7.751 -4.579 1.00 0.00 O ATOM 0 H GLY A 86 -10.059 6.262 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.242 7.475 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.976 6.016 -7.080 1.00 0.00 H new ATOM 1061 N HIS A 87 -14.071 6.200 -5.807 1.00 0.00 N ATOM 1062 CA HIS A 87 -15.382 6.440 -5.270 1.00 0.00 C ATOM 1063 C HIS A 87 -16.135 5.116 -5.340 1.00 0.00 C ATOM 1064 O HIS A 87 -16.105 4.462 -6.368 1.00 0.00 O ATOM 1065 CB HIS A 87 -16.063 7.521 -6.137 1.00 0.00 C ATOM 1066 CG HIS A 87 -17.334 8.099 -5.590 1.00 0.00 C ATOM 1067 ND1 HIS A 87 -18.518 8.101 -6.286 1.00 0.00 N ATOM 1068 CD2 HIS A 87 -17.573 8.786 -4.445 1.00 0.00 C ATOM 1069 CE1 HIS A 87 -19.423 8.767 -5.601 1.00 0.00 C ATOM 1070 NE2 HIS A 87 -18.873 9.186 -4.482 1.00 0.00 N ATOM 0 H HIS A 87 -14.036 5.439 -6.486 1.00 0.00 H new ATOM 0 HA HIS A 87 -15.358 6.792 -4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.354 8.335 -6.291 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.274 7.093 -7.117 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.865 8.979 -3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -20.444 8.940 -5.906 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -19.346 9.725 -3.757 1.00 0.00 H new ATOM 1079 N PRO A 88 -16.776 4.686 -4.250 1.00 0.00 N ATOM 1080 CA PRO A 88 -17.498 3.394 -4.194 1.00 0.00 C ATOM 1081 C PRO A 88 -18.943 3.536 -4.639 1.00 0.00 C ATOM 1082 O PRO A 88 -19.843 2.867 -4.112 1.00 0.00 O ATOM 1083 CB PRO A 88 -17.461 3.100 -2.698 1.00 0.00 C ATOM 1084 CG PRO A 88 -17.559 4.436 -2.048 1.00 0.00 C ATOM 1085 CD PRO A 88 -16.867 5.408 -2.965 1.00 0.00 C ATOM 0 HA PRO A 88 -17.063 2.629 -4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -18.287 2.454 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -16.540 2.590 -2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.601 4.719 -1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.086 4.425 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.434 6.333 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.880 5.678 -2.589 1.00 0.00 H new ATOM 1093 N GLY A 89 -19.160 4.365 -5.623 1.00 0.00 N ATOM 1094 CA GLY A 89 -20.494 4.684 -6.003 1.00 0.00 C ATOM 1095 C GLY A 89 -21.046 5.711 -5.060 1.00 0.00 C ATOM 1096 O GLY A 89 -20.323 6.194 -4.165 1.00 0.00 O ATOM 0 H GLY A 89 -18.431 4.825 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -20.512 5.064 -7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -21.114 3.787 -5.986 1.00 0.00 H new ATOM 1100 N ASP A 90 -22.267 6.063 -5.229 1.00 0.00 N ATOM 1101 CA ASP A 90 -22.887 7.020 -4.353 1.00 0.00 C ATOM 1102 C ASP A 90 -24.135 6.355 -3.790 1.00 0.00 C ATOM 1103 O ASP A 90 -24.327 5.148 -3.989 1.00 0.00 O ATOM 1104 CB ASP A 90 -23.227 8.323 -5.121 1.00 0.00 C ATOM 1105 CG ASP A 90 -23.427 9.522 -4.203 1.00 0.00 C ATOM 1106 OD1 ASP A 90 -24.511 9.677 -3.618 1.00 0.00 O ATOM 1107 OD2 ASP A 90 -22.492 10.338 -4.043 1.00 0.00 O ATOM 0 H ASP A 90 -22.872 5.706 -5.969 1.00 0.00 H new ATOM 0 HA ASP A 90 -22.217 7.309 -3.543 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -22.425 8.542 -5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -24.133 8.167 -5.707 1.00 0.00 H new ATOM 1112 N THR A 91 -24.951 7.089 -3.106 1.00 0.00 N ATOM 1113 CA THR A 91 -26.143 6.584 -2.515 1.00 0.00 C ATOM 1114 C THR A 91 -26.959 7.762 -1.950 1.00 0.00 C ATOM 1115 O THR A 91 -26.429 8.610 -1.211 1.00 0.00 O ATOM 1116 CB THR A 91 -25.843 5.527 -1.404 1.00 0.00 C ATOM 1117 OG1 THR A 91 -27.063 5.074 -0.803 1.00 0.00 O ATOM 1118 CG2 THR A 91 -24.885 6.069 -0.335 1.00 0.00 C ATOM 0 H THR A 91 -24.801 8.084 -2.939 1.00 0.00 H new ATOM 0 HA THR A 91 -26.722 6.071 -3.283 1.00 0.00 H new ATOM 0 HB THR A 91 -25.348 4.683 -1.883 1.00 0.00 H new ATOM 0 HG1 THR A 91 -27.048 4.097 -0.729 1.00 0.00 H new ATOM 0 HG21 THR A 91 -24.705 5.300 0.416 1.00 0.00 H new ATOM 0 HG22 THR A 91 -23.940 6.348 -0.801 1.00 0.00 H new ATOM 0 HG23 THR A 91 -25.328 6.944 0.140 1.00 0.00 H new ATOM 1126 N PRO A 92 -28.236 7.878 -2.327 1.00 0.00 N ATOM 1127 CA PRO A 92 -29.079 8.961 -1.860 1.00 0.00 C ATOM 1128 C PRO A 92 -29.732 8.691 -0.493 1.00 0.00 C ATOM 1129 O PRO A 92 -30.090 9.628 0.219 1.00 0.00 O ATOM 1130 CB PRO A 92 -30.136 9.087 -2.957 1.00 0.00 C ATOM 1131 CG PRO A 92 -30.218 7.736 -3.601 1.00 0.00 C ATOM 1132 CD PRO A 92 -28.938 6.999 -3.285 1.00 0.00 C ATOM 0 HA PRO A 92 -28.501 9.870 -1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -31.099 9.381 -2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -29.857 9.850 -3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -31.080 7.185 -3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -30.347 7.833 -4.679 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -29.140 6.020 -2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -28.342 6.834 -4.183 1.00 0.00 H new ATOM 1140 N PHE A 93 -29.863 7.426 -0.114 1.00 0.00 N ATOM 1141 CA PHE A 93 -30.535 7.098 1.139 1.00 0.00 C ATOM 1142 C PHE A 93 -29.730 6.147 2.019 1.00 0.00 C ATOM 1143 O PHE A 93 -30.123 5.860 3.141 1.00 0.00 O ATOM 1144 CB PHE A 93 -31.961 6.547 0.891 1.00 0.00 C ATOM 1145 CG PHE A 93 -32.036 5.258 0.096 1.00 0.00 C ATOM 1146 CD1 PHE A 93 -32.063 5.279 -1.286 1.00 0.00 C ATOM 1147 CD2 PHE A 93 -32.096 4.031 0.741 1.00 0.00 C ATOM 1148 CE1 PHE A 93 -32.143 4.107 -2.013 1.00 0.00 C ATOM 1149 CE2 PHE A 93 -32.178 2.856 0.022 1.00 0.00 C ATOM 1150 CZ PHE A 93 -32.200 2.893 -1.357 1.00 0.00 C ATOM 0 H PHE A 93 -29.521 6.624 -0.643 1.00 0.00 H new ATOM 0 HA PHE A 93 -30.619 8.036 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -32.442 6.386 1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -32.540 7.309 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -32.021 6.225 -1.805 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -32.078 3.995 1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -32.161 4.140 -3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -32.225 1.909 0.538 1.00 0.00 H new ATOM 0 HZ PHE A 93 -32.262 1.975 -1.922 1.00 0.00 H new ATOM 1160 N GLY A 94 -28.621 5.663 1.522 1.00 0.00 N ATOM 1161 CA GLY A 94 -27.822 4.754 2.295 1.00 0.00 C ATOM 1162 C GLY A 94 -26.615 5.446 2.848 1.00 0.00 C ATOM 1163 O GLY A 94 -26.346 6.600 2.502 1.00 0.00 O ATOM 0 H GLY A 94 -28.255 5.881 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -28.417 4.343 3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -27.512 3.915 1.672 1.00 0.00 H new ATOM 1167 N THR A 95 -25.898 4.782 3.698 1.00 0.00 N ATOM 1168 CA THR A 95 -24.708 5.350 4.289 1.00 0.00 C ATOM 1169 C THR A 95 -23.625 4.293 4.274 1.00 0.00 C ATOM 1170 O THR A 95 -23.930 3.092 4.123 1.00 0.00 O ATOM 1171 CB THR A 95 -24.970 5.705 5.761 1.00 0.00 C ATOM 1172 OG1 THR A 95 -26.326 6.144 5.916 1.00 0.00 O ATOM 1173 CG2 THR A 95 -24.044 6.823 6.236 1.00 0.00 C ATOM 0 H THR A 95 -26.112 3.834 4.007 1.00 0.00 H new ATOM 0 HA THR A 95 -24.420 6.241 3.731 1.00 0.00 H new ATOM 0 HB THR A 95 -24.783 4.812 6.357 1.00 0.00 H new ATOM 0 HG1 THR A 95 -26.492 6.368 6.855 1.00 0.00 H new ATOM 0 HG21 THR A 95 -24.255 7.051 7.281 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.007 6.503 6.136 1.00 0.00 H new ATOM 0 HG23 THR A 95 -24.209 7.714 5.630 1.00 0.00 H new ATOM 1181 N PHE A 96 -22.393 4.711 4.397 1.00 0.00 N ATOM 1182 CA PHE A 96 -21.311 3.802 4.516 1.00 0.00 C ATOM 1183 C PHE A 96 -20.243 4.341 5.440 1.00 0.00 C ATOM 1184 O PHE A 96 -20.062 5.564 5.561 1.00 0.00 O ATOM 1185 CB PHE A 96 -20.728 3.402 3.164 1.00 0.00 C ATOM 1186 CG PHE A 96 -20.108 4.505 2.379 1.00 0.00 C ATOM 1187 CD1 PHE A 96 -18.781 4.843 2.578 1.00 0.00 C ATOM 1188 CD2 PHE A 96 -20.839 5.175 1.419 1.00 0.00 C ATOM 1189 CE1 PHE A 96 -18.194 5.839 1.833 1.00 0.00 C ATOM 1190 CE2 PHE A 96 -20.259 6.166 0.659 1.00 0.00 C ATOM 1191 CZ PHE A 96 -18.934 6.501 0.865 1.00 0.00 C ATOM 0 H PHE A 96 -22.123 5.694 4.416 1.00 0.00 H new ATOM 0 HA PHE A 96 -21.714 2.892 4.960 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -19.977 2.629 3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -21.521 2.955 2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -18.201 4.320 3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -21.877 4.919 1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -17.161 6.104 2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -20.837 6.679 -0.095 1.00 0.00 H new ATOM 0 HZ PHE A 96 -18.475 7.278 0.272 1.00 0.00 H new ATOM 1201 N THR A 97 -19.568 3.447 6.082 1.00 0.00 N ATOM 1202 CA THR A 97 -18.512 3.773 6.995 1.00 0.00 C ATOM 1203 C THR A 97 -17.181 3.557 6.320 1.00 0.00 C ATOM 1204 O THR A 97 -17.137 3.096 5.197 1.00 0.00 O ATOM 1205 CB THR A 97 -18.584 2.792 8.141 1.00 0.00 C ATOM 1206 OG1 THR A 97 -18.496 1.515 7.600 1.00 0.00 O ATOM 1207 CG2 THR A 97 -19.856 2.937 8.956 1.00 0.00 C ATOM 0 H THR A 97 -19.735 2.445 5.988 1.00 0.00 H new ATOM 0 HA THR A 97 -18.612 4.807 7.325 1.00 0.00 H new ATOM 0 HB THR A 97 -17.763 2.988 8.831 1.00 0.00 H new ATOM 0 HG1 THR A 97 -17.554 1.275 7.479 1.00 0.00 H new ATOM 0 HG21 THR A 97 -19.854 2.207 9.766 1.00 0.00 H new ATOM 0 HG22 THR A 97 -19.908 3.943 9.374 1.00 0.00 H new ATOM 0 HG23 THR A 97 -20.721 2.765 8.315 1.00 0.00 H new ATOM 1215 N LEU A 98 -16.119 3.900 7.009 1.00 0.00 N ATOM 1216 CA LEU A 98 -14.773 3.606 6.587 1.00 0.00 C ATOM 1217 C LEU A 98 -13.993 3.217 7.822 1.00 0.00 C ATOM 1218 O LEU A 98 -14.071 3.897 8.847 1.00 0.00 O ATOM 1219 CB LEU A 98 -14.145 4.796 5.876 1.00 0.00 C ATOM 1220 CG LEU A 98 -14.829 5.221 4.575 1.00 0.00 C ATOM 1221 CD1 LEU A 98 -14.204 6.464 4.039 1.00 0.00 C ATOM 1222 CD2 LEU A 98 -14.745 4.117 3.539 1.00 0.00 C ATOM 0 H LEU A 98 -16.169 4.401 7.896 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.767 2.789 5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.142 5.645 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.104 4.559 5.658 1.00 0.00 H new ATOM 0 HG LEU A 98 -15.879 5.417 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -14.703 6.752 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -14.304 7.266 4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.147 6.284 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -15.238 4.440 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.699 3.893 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -15.238 3.223 3.920 1.00 0.00 H new ATOM 1234 N THR A 99 -13.282 2.129 7.754 1.00 0.00 N ATOM 1235 CA THR A 99 -12.652 1.575 8.960 1.00 0.00 C ATOM 1236 C THR A 99 -11.135 1.328 8.768 1.00 0.00 C ATOM 1237 O THR A 99 -10.460 0.755 9.627 1.00 0.00 O ATOM 1238 CB THR A 99 -13.393 0.255 9.371 1.00 0.00 C ATOM 1239 OG1 THR A 99 -13.038 -0.168 10.693 1.00 0.00 O ATOM 1240 CG2 THR A 99 -13.087 -0.864 8.392 1.00 0.00 C ATOM 0 H THR A 99 -13.114 1.600 6.898 1.00 0.00 H new ATOM 0 HA THR A 99 -12.744 2.308 9.762 1.00 0.00 H new ATOM 0 HB THR A 99 -14.460 0.476 9.353 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.078 -0.028 10.835 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.612 -1.769 8.698 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.415 -0.574 7.394 1.00 0.00 H new ATOM 0 HG23 THR A 99 -12.014 -1.054 8.380 1.00 0.00 H new ATOM 1248 N GLY A 100 -10.601 1.800 7.674 1.00 0.00 N ATOM 1249 CA GLY A 100 -9.185 1.607 7.395 1.00 0.00 C ATOM 1250 C GLY A 100 -8.636 2.876 6.866 1.00 0.00 C ATOM 1251 O GLY A 100 -7.766 2.892 6.007 1.00 0.00 O ATOM 0 H GLY A 100 -11.112 2.319 6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.656 1.314 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.047 0.803 6.672 1.00 0.00 H new ATOM 1255 N GLY A 101 -9.182 3.931 7.386 1.00 0.00 N ATOM 1256 CA GLY A 101 -8.940 5.252 6.928 1.00 0.00 C ATOM 1257 C GLY A 101 -10.273 5.934 6.882 1.00 0.00 C ATOM 1258 O GLY A 101 -11.294 5.274 7.126 1.00 0.00 O ATOM 0 H GLY A 101 -9.832 3.887 8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.258 5.776 7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -8.474 5.242 5.942 1.00 0.00 H new ATOM 1262 N ASN A 102 -10.311 7.195 6.582 1.00 0.00 N ATOM 1263 CA ASN A 102 -11.587 7.913 6.525 1.00 0.00 C ATOM 1264 C ASN A 102 -11.727 8.552 5.156 1.00 0.00 C ATOM 1265 O ASN A 102 -12.475 9.501 4.950 1.00 0.00 O ATOM 1266 CB ASN A 102 -11.671 8.976 7.632 1.00 0.00 C ATOM 1267 CG ASN A 102 -13.075 9.579 7.781 1.00 0.00 C ATOM 1268 OD1 ASN A 102 -14.086 8.916 7.549 1.00 0.00 O ATOM 1269 ND2 ASN A 102 -13.146 10.829 8.160 1.00 0.00 N ATOM 0 H ASN A 102 -9.490 7.762 6.371 1.00 0.00 H new ATOM 0 HA ASN A 102 -12.404 7.210 6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.371 8.529 8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.960 9.774 7.416 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.055 11.278 8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -12.292 11.355 8.346 1.00 0.00 H new ATOM 1276 N VAL A 103 -11.042 7.986 4.208 1.00 0.00 N ATOM 1277 CA VAL A 103 -11.057 8.464 2.852 1.00 0.00 C ATOM 1278 C VAL A 103 -11.004 7.248 1.984 1.00 0.00 C ATOM 1279 O VAL A 103 -10.993 6.130 2.504 1.00 0.00 O ATOM 1280 CB VAL A 103 -9.872 9.441 2.501 1.00 0.00 C ATOM 1281 CG1 VAL A 103 -9.888 10.690 3.363 1.00 0.00 C ATOM 1282 CG2 VAL A 103 -8.531 8.759 2.599 1.00 0.00 C ATOM 0 H VAL A 103 -10.449 7.169 4.353 1.00 0.00 H new ATOM 0 HA VAL A 103 -11.958 9.057 2.694 1.00 0.00 H new ATOM 0 HB VAL A 103 -10.025 9.743 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.053 11.334 3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.825 11.225 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.797 10.409 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.743 9.469 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -8.382 8.394 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.498 7.920 1.904 1.00 0.00 H new ATOM 1292 N PHE A 104 -10.957 7.416 0.713 1.00 0.00 N ATOM 1293 CA PHE A 104 -10.948 6.280 -0.145 1.00 0.00 C ATOM 1294 C PHE A 104 -9.538 5.844 -0.405 1.00 0.00 C ATOM 1295 O PHE A 104 -8.903 6.283 -1.369 1.00 0.00 O ATOM 1296 CB PHE A 104 -11.727 6.555 -1.425 1.00 0.00 C ATOM 1297 CG PHE A 104 -13.124 6.988 -1.124 1.00 0.00 C ATOM 1298 CD1 PHE A 104 -13.947 6.186 -0.363 1.00 0.00 C ATOM 1299 CD2 PHE A 104 -13.598 8.209 -1.558 1.00 0.00 C ATOM 1300 CE1 PHE A 104 -15.214 6.580 -0.046 1.00 0.00 C ATOM 1301 CE2 PHE A 104 -14.872 8.616 -1.242 1.00 0.00 C ATOM 1302 CZ PHE A 104 -15.686 7.801 -0.484 1.00 0.00 C ATOM 0 H PHE A 104 -10.924 8.320 0.243 1.00 0.00 H new ATOM 0 HA PHE A 104 -11.457 5.453 0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.220 7.328 -2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.747 5.657 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.583 5.231 -0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.963 8.850 -2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.847 5.937 0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.235 9.573 -1.587 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.688 8.117 -0.234 1.00 0.00 H new ATOM 1312 N GLU A 105 -9.038 5.045 0.496 1.00 0.00 N ATOM 1313 CA GLU A 105 -7.704 4.541 0.449 1.00 0.00 C ATOM 1314 C GLU A 105 -7.733 3.028 0.651 1.00 0.00 C ATOM 1315 O GLU A 105 -8.618 2.501 1.360 1.00 0.00 O ATOM 1316 CB GLU A 105 -6.843 5.231 1.526 1.00 0.00 C ATOM 1317 CG GLU A 105 -7.333 4.985 2.970 1.00 0.00 C ATOM 1318 CD GLU A 105 -6.537 5.722 4.034 1.00 0.00 C ATOM 1319 OE1 GLU A 105 -6.707 6.936 4.179 1.00 0.00 O ATOM 1320 OE2 GLU A 105 -5.739 5.095 4.755 1.00 0.00 O ATOM 0 H GLU A 105 -9.567 4.720 1.305 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.259 4.755 -0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.815 4.879 1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.830 6.304 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.379 5.284 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.292 3.916 3.178 1.00 0.00 H new ATOM 1327 N TYR A 106 -6.838 2.341 -0.040 1.00 0.00 N ATOM 1328 CA TYR A 106 -6.677 0.894 0.050 1.00 0.00 C ATOM 1329 C TYR A 106 -6.591 0.433 1.502 1.00 0.00 C ATOM 1330 O TYR A 106 -5.660 0.769 2.222 1.00 0.00 O ATOM 1331 CB TYR A 106 -5.426 0.470 -0.740 1.00 0.00 C ATOM 1332 CG TYR A 106 -5.016 -0.972 -0.561 1.00 0.00 C ATOM 1333 CD1 TYR A 106 -5.633 -1.982 -1.268 1.00 0.00 C ATOM 1334 CD2 TYR A 106 -3.990 -1.313 0.314 1.00 0.00 C ATOM 1335 CE1 TYR A 106 -5.246 -3.292 -1.107 1.00 0.00 C ATOM 1336 CE2 TYR A 106 -3.597 -2.617 0.473 1.00 0.00 C ATOM 1337 CZ TYR A 106 -4.227 -3.601 -0.238 1.00 0.00 C ATOM 1338 OH TYR A 106 -3.822 -4.900 -0.098 1.00 0.00 O ATOM 0 H TYR A 106 -6.189 2.780 -0.693 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.554 0.415 -0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.605 0.652 -1.800 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.594 1.108 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -6.430 -1.742 -1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.494 -0.537 0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -5.741 -4.075 -1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -2.796 -2.865 1.154 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.092 -4.947 0.554 1.00 0.00 H new ATOM 1348 N GLY A 107 -7.572 -0.316 1.915 1.00 0.00 N ATOM 1349 CA GLY A 107 -7.606 -0.791 3.262 1.00 0.00 C ATOM 1350 C GLY A 107 -8.913 -0.467 3.928 1.00 0.00 C ATOM 1351 O GLY A 107 -9.295 -1.113 4.907 1.00 0.00 O ATOM 0 H GLY A 107 -8.358 -0.610 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.449 -1.870 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.788 -0.344 3.827 1.00 0.00 H new ATOM 1355 N VAL A 108 -9.615 0.536 3.412 1.00 0.00 N ATOM 1356 CA VAL A 108 -10.896 0.881 3.987 1.00 0.00 C ATOM 1357 C VAL A 108 -11.966 -0.120 3.582 1.00 0.00 C ATOM 1358 O VAL A 108 -12.000 -0.628 2.444 1.00 0.00 O ATOM 1359 CB VAL A 108 -11.410 2.344 3.669 1.00 0.00 C ATOM 1360 CG1 VAL A 108 -10.432 3.406 4.037 1.00 0.00 C ATOM 1361 CG2 VAL A 108 -11.888 2.517 2.244 1.00 0.00 C ATOM 0 H VAL A 108 -9.324 1.107 2.618 1.00 0.00 H new ATOM 0 HA VAL A 108 -10.719 0.847 5.062 1.00 0.00 H new ATOM 0 HB VAL A 108 -12.279 2.471 4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.847 4.384 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -10.226 3.356 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.506 3.256 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -12.226 3.543 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -11.070 2.302 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -12.713 1.832 2.051 1.00 0.00 H new ATOM 1371 N LYS A 109 -12.774 -0.440 4.527 1.00 0.00 N ATOM 1372 CA LYS A 109 -13.950 -1.201 4.304 1.00 0.00 C ATOM 1373 C LYS A 109 -15.080 -0.238 4.466 1.00 0.00 C ATOM 1374 O LYS A 109 -15.233 0.355 5.538 1.00 0.00 O ATOM 1375 CB LYS A 109 -14.110 -2.339 5.324 1.00 0.00 C ATOM 1376 CG LYS A 109 -15.417 -3.110 5.166 1.00 0.00 C ATOM 1377 CD LYS A 109 -15.713 -3.992 6.374 1.00 0.00 C ATOM 1378 CE LYS A 109 -14.798 -5.196 6.472 1.00 0.00 C ATOM 1379 NZ LYS A 109 -14.946 -5.879 7.774 1.00 0.00 N ATOM 0 H LYS A 109 -12.633 -0.173 5.501 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.916 -1.668 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.274 -3.030 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.060 -1.925 6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.237 -2.407 5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.366 -3.729 4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.618 -3.397 7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.747 -4.333 6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.024 -5.894 5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.763 -4.880 6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.307 -6.699 7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.707 -5.219 8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.928 -6.201 7.888 1.00 0.00 H new ATOM 1393 N ALA A 110 -15.808 -0.034 3.426 1.00 0.00 N ATOM 1394 CA ALA A 110 -16.927 0.832 3.464 1.00 0.00 C ATOM 1395 C ALA A 110 -18.146 0.019 3.840 1.00 0.00 C ATOM 1396 O ALA A 110 -18.700 -0.676 2.981 1.00 0.00 O ATOM 1397 CB ALA A 110 -17.129 1.511 2.110 1.00 0.00 C ATOM 0 H ALA A 110 -15.640 -0.468 2.518 1.00 0.00 H new ATOM 0 HA ALA A 110 -16.763 1.616 4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -17.994 2.172 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -16.242 2.092 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -17.295 0.753 1.344 1.00 0.00 H new ATOM 1403 N VAL A 111 -18.530 0.028 5.109 1.00 0.00 N ATOM 1404 CA VAL A 111 -19.677 -0.766 5.515 1.00 0.00 C ATOM 1405 C VAL A 111 -20.923 -0.001 5.140 1.00 0.00 C ATOM 1406 O VAL A 111 -21.053 1.154 5.461 1.00 0.00 O ATOM 1407 CB VAL A 111 -19.681 -1.205 7.032 1.00 0.00 C ATOM 1408 CG1 VAL A 111 -18.322 -1.524 7.621 1.00 0.00 C ATOM 1409 CG2 VAL A 111 -20.612 -0.435 7.964 1.00 0.00 C ATOM 0 H VAL A 111 -18.079 0.559 5.854 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.630 -1.717 4.984 1.00 0.00 H new ATOM 0 HB VAL A 111 -20.172 -2.176 6.966 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.437 -1.814 8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.868 -2.344 7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -17.682 -0.644 7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -20.523 -0.831 8.976 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -20.338 0.620 7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.641 -0.544 7.621 1.00 0.00 H new ATOM 1419 N TYR A 112 -21.797 -0.623 4.442 1.00 0.00 N ATOM 1420 CA TYR A 112 -22.929 0.057 3.881 1.00 0.00 C ATOM 1421 C TYR A 112 -24.195 -0.435 4.512 1.00 0.00 C ATOM 1422 O TYR A 112 -24.303 -1.596 4.905 1.00 0.00 O ATOM 1423 CB TYR A 112 -22.914 -0.132 2.353 1.00 0.00 C ATOM 1424 CG TYR A 112 -24.026 0.553 1.601 1.00 0.00 C ATOM 1425 CD1 TYR A 112 -25.227 -0.087 1.399 1.00 0.00 C ATOM 1426 CD2 TYR A 112 -23.874 1.832 1.090 1.00 0.00 C ATOM 1427 CE1 TYR A 112 -26.237 0.511 0.722 1.00 0.00 C ATOM 1428 CE2 TYR A 112 -24.902 2.443 0.404 1.00 0.00 C ATOM 1429 CZ TYR A 112 -26.084 1.771 0.227 1.00 0.00 C ATOM 1430 OH TYR A 112 -27.131 2.368 -0.447 1.00 0.00 O ATOM 0 H TYR A 112 -21.758 -1.621 4.236 1.00 0.00 H new ATOM 0 HA TYR A 112 -22.875 1.126 4.089 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -21.961 0.233 1.969 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -22.957 -1.199 2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -25.367 -1.085 1.787 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -22.940 2.356 1.231 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -27.169 -0.014 0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -24.778 3.441 0.010 1.00 0.00 H new ATOM 0 HH TYR A 112 -27.966 2.212 0.042 1.00 0.00 H new ATOM 1440 N THR A 113 -25.128 0.456 4.698 1.00 0.00 N ATOM 1441 CA THR A 113 -26.388 0.108 5.273 1.00 0.00 C ATOM 1442 C THR A 113 -27.471 1.065 4.747 1.00 0.00 C ATOM 1443 O THR A 113 -27.155 2.145 4.226 1.00 0.00 O ATOM 1444 CB THR A 113 -26.325 0.228 6.823 1.00 0.00 C ATOM 1445 OG1 THR A 113 -25.044 -0.230 7.316 1.00 0.00 O ATOM 1446 CG2 THR A 113 -27.379 -0.637 7.453 1.00 0.00 C ATOM 0 H THR A 113 -25.033 1.442 4.454 1.00 0.00 H new ATOM 0 HA THR A 113 -26.626 -0.920 4.999 1.00 0.00 H new ATOM 0 HB THR A 113 -26.480 1.276 7.078 1.00 0.00 H new ATOM 0 HG1 THR A 113 -25.020 -0.146 8.292 1.00 0.00 H new ATOM 0 HG21 THR A 113 -27.325 -0.545 8.538 1.00 0.00 H new ATOM 0 HG22 THR A 113 -28.364 -0.319 7.110 1.00 0.00 H new ATOM 0 HG23 THR A 113 -27.214 -1.676 7.169 1.00 0.00 H new ATOM 1454 N CYS A 114 -28.704 0.634 4.866 1.00 0.00 N ATOM 1455 CA CYS A 114 -29.897 1.390 4.552 1.00 0.00 C ATOM 1456 C CYS A 114 -30.936 0.880 5.493 1.00 0.00 C ATOM 1457 O CYS A 114 -31.110 -0.331 5.569 1.00 0.00 O ATOM 1458 CB CYS A 114 -30.434 1.097 3.146 1.00 0.00 C ATOM 1459 SG CYS A 114 -29.354 1.476 1.743 1.00 0.00 S ATOM 0 H CYS A 114 -28.915 -0.305 5.203 1.00 0.00 H new ATOM 0 HA CYS A 114 -29.673 2.454 4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -30.690 0.039 3.097 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -31.361 1.655 3.017 1.00 0.00 H new ATOM 1464 N ASN A 115 -31.571 1.760 6.227 1.00 0.00 N ATOM 1465 CA ASN A 115 -32.683 1.415 7.120 1.00 0.00 C ATOM 1466 C ASN A 115 -32.284 0.545 8.303 1.00 0.00 C ATOM 1467 O ASN A 115 -31.108 0.184 8.486 1.00 0.00 O ATOM 1468 CB ASN A 115 -33.864 0.790 6.360 1.00 0.00 C ATOM 1469 CG ASN A 115 -34.534 1.763 5.427 1.00 0.00 C ATOM 1470 OD1 ASN A 115 -34.160 1.888 4.260 1.00 0.00 O ATOM 1471 ND2 ASN A 115 -35.524 2.465 5.920 1.00 0.00 N ATOM 0 H ASN A 115 -31.338 2.753 6.231 1.00 0.00 H new ATOM 0 HA ASN A 115 -33.006 2.369 7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -33.510 -0.069 5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -34.596 0.417 7.077 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -36.012 3.141 5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -35.807 2.335 6.891 1.00 0.00 H new ATOM 1478 N GLU A 116 -33.255 0.256 9.129 1.00 0.00 N ATOM 1479 CA GLU A 116 -33.052 -0.521 10.324 1.00 0.00 C ATOM 1480 C GLU A 116 -33.639 -1.916 10.169 1.00 0.00 C ATOM 1481 O GLU A 116 -32.990 -2.918 10.467 1.00 0.00 O ATOM 1482 CB GLU A 116 -33.715 0.206 11.487 1.00 0.00 C ATOM 1483 CG GLU A 116 -33.544 -0.446 12.836 1.00 0.00 C ATOM 1484 CD GLU A 116 -34.252 0.327 13.906 1.00 0.00 C ATOM 1485 OE1 GLU A 116 -33.797 1.443 14.250 1.00 0.00 O ATOM 1486 OE2 GLU A 116 -35.289 -0.141 14.413 1.00 0.00 O ATOM 0 H GLU A 116 -34.220 0.557 8.990 1.00 0.00 H new ATOM 0 HA GLU A 116 -31.984 -0.632 10.511 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -33.314 1.218 11.538 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -34.781 0.296 11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -33.932 -1.464 12.802 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -32.483 -0.517 13.077 1.00 0.00 H new ATOM 1493 N GLY A 117 -34.860 -1.960 9.690 1.00 0.00 N ATOM 1494 CA GLY A 117 -35.596 -3.209 9.544 1.00 0.00 C ATOM 1495 C GLY A 117 -35.032 -4.110 8.470 1.00 0.00 C ATOM 1496 O GLY A 117 -35.157 -5.337 8.547 1.00 0.00 O ATOM 0 H GLY A 117 -35.378 -1.135 9.388 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -35.589 -3.741 10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -36.637 -2.985 9.311 1.00 0.00 H new ATOM 1500 N TYR A 118 -34.396 -3.516 7.499 1.00 0.00 N ATOM 1501 CA TYR A 118 -33.794 -4.244 6.409 1.00 0.00 C ATOM 1502 C TYR A 118 -32.491 -3.597 6.058 1.00 0.00 C ATOM 1503 O TYR A 118 -32.086 -2.645 6.724 1.00 0.00 O ATOM 1504 CB TYR A 118 -34.727 -4.331 5.168 1.00 0.00 C ATOM 1505 CG TYR A 118 -35.143 -3.011 4.513 1.00 0.00 C ATOM 1506 CD1 TYR A 118 -36.164 -2.231 5.047 1.00 0.00 C ATOM 1507 CD2 TYR A 118 -34.534 -2.570 3.332 1.00 0.00 C ATOM 1508 CE1 TYR A 118 -36.562 -1.057 4.430 1.00 0.00 C ATOM 1509 CE2 TYR A 118 -34.925 -1.400 2.721 1.00 0.00 C ATOM 1510 CZ TYR A 118 -35.936 -0.649 3.269 1.00 0.00 C ATOM 1511 OH TYR A 118 -36.334 0.517 2.643 1.00 0.00 O ATOM 0 H TYR A 118 -34.278 -2.505 7.438 1.00 0.00 H new ATOM 0 HA TYR A 118 -33.623 -5.271 6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -34.230 -4.941 4.414 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -35.632 -4.862 5.462 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -36.654 -2.546 5.957 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -33.743 -3.159 2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -37.358 -0.463 4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -34.438 -1.074 1.814 1.00 0.00 H new ATOM 0 HH TYR A 118 -35.794 1.266 2.973 1.00 0.00 H new ATOM 1521 N GLN A 119 -31.836 -4.118 5.052 1.00 0.00 N ATOM 1522 CA GLN A 119 -30.610 -3.611 4.563 1.00 0.00 C ATOM 1523 C GLN A 119 -30.489 -3.995 3.096 1.00 0.00 C ATOM 1524 O GLN A 119 -31.424 -3.784 2.323 1.00 0.00 O ATOM 1525 CB GLN A 119 -29.426 -4.118 5.421 1.00 0.00 C ATOM 1526 CG GLN A 119 -29.425 -5.610 5.717 1.00 0.00 C ATOM 1527 CD GLN A 119 -28.302 -6.028 6.649 1.00 0.00 C ATOM 1528 OE1 GLN A 119 -27.935 -5.179 7.583 1.00 0.00 O flip ATOM 1529 NE2 GLN A 119 -27.800 -7.143 6.557 1.00 0.00 N flip ATOM 0 H GLN A 119 -32.167 -4.937 4.542 1.00 0.00 H new ATOM 0 HA GLN A 119 -30.584 -2.524 4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -28.496 -3.866 4.911 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -29.428 -3.577 6.367 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -30.381 -5.888 6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -29.337 -6.161 4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -28.105 -7.781 5.822 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -27.077 -7.433 7.216 1.00 0.00 H new ATOM 1538 N LEU A 120 -29.384 -4.536 2.713 1.00 0.00 N ATOM 1539 CA LEU A 120 -29.153 -4.910 1.399 1.00 0.00 C ATOM 1540 C LEU A 120 -29.369 -6.386 1.161 1.00 0.00 C ATOM 1541 O LEU A 120 -29.462 -7.180 2.103 1.00 0.00 O ATOM 1542 CB LEU A 120 -27.725 -4.541 1.044 1.00 0.00 C ATOM 1543 CG LEU A 120 -26.603 -4.785 2.112 1.00 0.00 C ATOM 1544 CD1 LEU A 120 -26.443 -3.691 3.142 1.00 0.00 C ATOM 1545 CD2 LEU A 120 -26.546 -6.193 2.705 1.00 0.00 C ATOM 0 H LEU A 120 -28.604 -4.728 3.342 1.00 0.00 H new ATOM 0 HA LEU A 120 -29.869 -4.384 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -27.453 -5.094 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -27.711 -3.483 0.784 1.00 0.00 H new ATOM 0 HG LEU A 120 -25.703 -4.720 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -25.643 -3.956 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -26.196 -2.754 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -27.375 -3.572 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -25.735 -6.250 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -27.491 -6.418 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -26.371 -6.916 1.909 1.00 0.00 H new ATOM 1557 N LEU A 121 -29.487 -6.723 -0.081 1.00 0.00 N ATOM 1558 CA LEU A 121 -29.420 -8.076 -0.511 1.00 0.00 C ATOM 1559 C LEU A 121 -27.979 -8.381 -0.786 1.00 0.00 C ATOM 1560 O LEU A 121 -27.230 -7.516 -1.280 1.00 0.00 O ATOM 1561 CB LEU A 121 -30.277 -8.313 -1.752 1.00 0.00 C ATOM 1562 CG LEU A 121 -31.716 -8.780 -1.516 1.00 0.00 C ATOM 1563 CD1 LEU A 121 -31.737 -10.223 -1.026 1.00 0.00 C ATOM 1564 CD2 LEU A 121 -32.426 -7.897 -0.516 1.00 0.00 C ATOM 0 H LEU A 121 -29.635 -6.053 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 121 -29.813 -8.737 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -30.310 -7.386 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -29.776 -9.055 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 121 -32.241 -8.714 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -32.768 -10.537 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -31.274 -10.868 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -31.184 -10.297 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -33.445 -8.257 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -31.894 -7.923 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -32.452 -6.873 -0.889 1.00 0.00 H new ATOM 1576 N GLY A 122 -27.587 -9.556 -0.459 1.00 0.00 N ATOM 1577 CA GLY A 122 -26.225 -9.931 -0.575 1.00 0.00 C ATOM 1578 C GLY A 122 -25.695 -10.243 0.775 1.00 0.00 C ATOM 1579 O GLY A 122 -26.205 -9.729 1.775 1.00 0.00 O ATOM 0 H GLY A 122 -28.202 -10.288 -0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -26.127 -10.798 -1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -25.649 -9.124 -1.029 1.00 0.00 H new ATOM 1583 N GLU A 123 -24.688 -11.049 0.840 1.00 0.00 N ATOM 1584 CA GLU A 123 -24.161 -11.453 2.106 1.00 0.00 C ATOM 1585 C GLU A 123 -23.202 -10.416 2.609 1.00 0.00 C ATOM 1586 O GLU A 123 -23.012 -10.233 3.813 1.00 0.00 O ATOM 1587 CB GLU A 123 -23.487 -12.800 1.979 1.00 0.00 C ATOM 1588 CG GLU A 123 -24.459 -13.885 1.569 1.00 0.00 C ATOM 1589 CD GLU A 123 -25.621 -14.030 2.523 1.00 0.00 C ATOM 1590 OE1 GLU A 123 -25.440 -14.579 3.625 1.00 0.00 O ATOM 1591 OE2 GLU A 123 -26.752 -13.622 2.174 1.00 0.00 O ATOM 0 H GLU A 123 -24.210 -11.444 0.030 1.00 0.00 H new ATOM 0 HA GLU A 123 -24.974 -11.547 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -22.685 -12.736 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -23.027 -13.066 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -24.840 -13.665 0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -23.928 -14.835 1.505 1.00 0.00 H new ATOM 1598 N ILE A 124 -22.627 -9.712 1.682 1.00 0.00 N ATOM 1599 CA ILE A 124 -21.667 -8.711 1.987 1.00 0.00 C ATOM 1600 C ILE A 124 -22.331 -7.343 1.996 1.00 0.00 C ATOM 1601 O ILE A 124 -22.768 -6.834 0.962 1.00 0.00 O ATOM 1602 CB ILE A 124 -20.500 -8.754 0.982 1.00 0.00 C ATOM 1603 CG1 ILE A 124 -19.923 -10.185 0.908 1.00 0.00 C ATOM 1604 CG2 ILE A 124 -19.419 -7.762 1.383 1.00 0.00 C ATOM 1605 CD1 ILE A 124 -19.361 -10.710 2.219 1.00 0.00 C ATOM 0 H ILE A 124 -22.817 -9.822 0.686 1.00 0.00 H new ATOM 0 HA ILE A 124 -21.258 -8.903 2.979 1.00 0.00 H new ATOM 0 HB ILE A 124 -20.871 -8.474 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -20.707 -10.861 0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -19.135 -10.206 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -18.601 -7.804 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -19.837 -6.755 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -19.043 -8.015 2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -18.978 -11.720 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -18.552 -10.061 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -20.149 -10.726 2.972 1.00 0.00 H new ATOM 1617 N ASN A 125 -22.409 -6.778 3.175 1.00 0.00 N ATOM 1618 CA ASN A 125 -23.043 -5.482 3.434 1.00 0.00 C ATOM 1619 C ASN A 125 -22.016 -4.364 3.394 1.00 0.00 C ATOM 1620 O ASN A 125 -22.212 -3.303 3.972 1.00 0.00 O ATOM 1621 CB ASN A 125 -23.673 -5.519 4.841 1.00 0.00 C ATOM 1622 CG ASN A 125 -22.647 -5.673 5.956 1.00 0.00 C ATOM 1623 OD1 ASN A 125 -22.250 -6.781 6.293 1.00 0.00 O ATOM 1624 ND2 ASN A 125 -22.233 -4.573 6.541 1.00 0.00 N ATOM 0 H ASN A 125 -22.025 -7.210 4.016 1.00 0.00 H new ATOM 0 HA ASN A 125 -23.798 -5.297 2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -24.240 -4.602 5.002 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -24.382 -6.345 4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -21.558 -4.624 7.304 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -22.586 -3.667 6.233 1.00 0.00 H new ATOM 1631 N TYR A 126 -20.972 -4.564 2.675 1.00 0.00 N ATOM 1632 CA TYR A 126 -19.883 -3.628 2.703 1.00 0.00 C ATOM 1633 C TYR A 126 -19.122 -3.674 1.410 1.00 0.00 C ATOM 1634 O TYR A 126 -19.499 -4.388 0.501 1.00 0.00 O ATOM 1635 CB TYR A 126 -18.949 -3.905 3.926 1.00 0.00 C ATOM 1636 CG TYR A 126 -18.114 -5.202 3.882 1.00 0.00 C ATOM 1637 CD1 TYR A 126 -17.040 -5.324 3.011 1.00 0.00 C ATOM 1638 CD2 TYR A 126 -18.376 -6.272 4.731 1.00 0.00 C ATOM 1639 CE1 TYR A 126 -16.270 -6.442 2.969 1.00 0.00 C ATOM 1640 CE2 TYR A 126 -17.576 -7.415 4.698 1.00 0.00 C ATOM 1641 CZ TYR A 126 -16.522 -7.481 3.803 1.00 0.00 C ATOM 1642 OH TYR A 126 -15.698 -8.580 3.758 1.00 0.00 O ATOM 0 H TYR A 126 -20.838 -5.364 2.057 1.00 0.00 H new ATOM 0 HA TYR A 126 -20.288 -2.623 2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -18.264 -3.063 4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -19.564 -3.927 4.826 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -16.810 -4.505 2.346 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -19.205 -6.218 5.421 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -15.452 -6.504 2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -17.777 -8.241 5.365 1.00 0.00 H new ATOM 0 HH TYR A 126 -14.803 -8.306 3.466 1.00 0.00 H new ATOM 1652 N ARG A 127 -18.079 -2.886 1.336 1.00 0.00 N ATOM 1653 CA ARG A 127 -17.186 -2.851 0.205 1.00 0.00 C ATOM 1654 C ARG A 127 -15.777 -2.728 0.750 1.00 0.00 C ATOM 1655 O ARG A 127 -15.495 -1.794 1.479 1.00 0.00 O ATOM 1656 CB ARG A 127 -17.422 -1.590 -0.606 1.00 0.00 C ATOM 1657 CG ARG A 127 -18.848 -1.238 -0.953 1.00 0.00 C ATOM 1658 CD ARG A 127 -18.874 0.209 -1.388 1.00 0.00 C ATOM 1659 NE ARG A 127 -20.193 0.694 -1.790 1.00 0.00 N ATOM 1660 CZ ARG A 127 -20.822 1.745 -1.246 1.00 0.00 C ATOM 1661 NH1 ARG A 127 -20.427 2.217 -0.058 1.00 0.00 N ATOM 1662 NH2 ARG A 127 -21.866 2.299 -1.871 1.00 0.00 N ATOM 0 H ARG A 127 -17.821 -2.236 2.078 1.00 0.00 H new ATOM 0 HA ARG A 127 -17.341 -3.740 -0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -16.994 -0.752 -0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -16.862 -1.680 -1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -19.218 -1.883 -1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -19.499 -1.390 -0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -18.506 0.828 -0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -18.183 0.338 -2.221 1.00 0.00 H new ATOM 0 HE ARG A 127 -20.670 0.195 -2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -19.648 1.777 0.432 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -20.905 3.017 0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -22.185 1.922 -2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -22.343 3.099 -1.455 1.00 0.00 H new ATOM 1676 N GLU A 128 -14.921 -3.634 0.441 1.00 0.00 N ATOM 1677 CA GLU A 128 -13.542 -3.497 0.834 1.00 0.00 C ATOM 1678 C GLU A 128 -12.744 -2.986 -0.332 1.00 0.00 C ATOM 1679 O GLU A 128 -13.028 -3.328 -1.483 1.00 0.00 O ATOM 1680 CB GLU A 128 -12.972 -4.806 1.362 1.00 0.00 C ATOM 1681 CG GLU A 128 -13.225 -5.050 2.835 1.00 0.00 C ATOM 1682 CD GLU A 128 -12.610 -6.337 3.344 1.00 0.00 C ATOM 1683 OE1 GLU A 128 -13.276 -7.401 3.292 1.00 0.00 O ATOM 1684 OE2 GLU A 128 -11.453 -6.303 3.823 1.00 0.00 O ATOM 0 H GLU A 128 -15.138 -4.482 -0.082 1.00 0.00 H new ATOM 0 HA GLU A 128 -13.482 -2.780 1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -13.399 -5.631 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.897 -4.818 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.826 -4.213 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -14.300 -5.074 3.013 1.00 0.00 H new ATOM 1691 N CYS A 129 -11.817 -2.122 -0.071 1.00 0.00 N ATOM 1692 CA CYS A 129 -10.983 -1.635 -1.123 1.00 0.00 C ATOM 1693 C CYS A 129 -9.818 -2.579 -1.323 1.00 0.00 C ATOM 1694 O CYS A 129 -9.007 -2.806 -0.411 1.00 0.00 O ATOM 1695 CB CYS A 129 -10.505 -0.216 -0.858 1.00 0.00 C ATOM 1696 SG CYS A 129 -9.510 0.478 -2.215 1.00 0.00 S ATOM 0 H CYS A 129 -11.618 -1.741 0.854 1.00 0.00 H new ATOM 0 HA CYS A 129 -11.572 -1.597 -2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -11.370 0.425 -0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -9.914 -0.205 0.058 1.00 0.00 H new ATOM 1701 N ASP A 130 -9.782 -3.172 -2.476 1.00 0.00 N ATOM 1702 CA ASP A 130 -8.759 -4.110 -2.861 1.00 0.00 C ATOM 1703 C ASP A 130 -7.754 -3.394 -3.758 1.00 0.00 C ATOM 1704 O ASP A 130 -7.972 -2.250 -4.141 1.00 0.00 O ATOM 1705 CB ASP A 130 -9.415 -5.321 -3.590 1.00 0.00 C ATOM 1706 CG ASP A 130 -8.449 -6.380 -4.075 1.00 0.00 C ATOM 1707 OD1 ASP A 130 -7.922 -6.259 -5.210 1.00 0.00 O ATOM 1708 OD2 ASP A 130 -8.174 -7.328 -3.324 1.00 0.00 O ATOM 0 H ASP A 130 -10.482 -3.016 -3.201 1.00 0.00 H new ATOM 0 HA ASP A 130 -8.234 -4.491 -1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.131 -5.787 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -9.980 -4.948 -4.444 1.00 0.00 H new ATOM 1713 N THR A 131 -6.672 -4.069 -4.066 1.00 0.00 N ATOM 1714 CA THR A 131 -5.595 -3.587 -4.901 1.00 0.00 C ATOM 1715 C THR A 131 -6.102 -3.049 -6.251 1.00 0.00 C ATOM 1716 O THR A 131 -5.613 -2.032 -6.756 1.00 0.00 O ATOM 1717 CB THR A 131 -4.626 -4.756 -5.157 1.00 0.00 C ATOM 1718 OG1 THR A 131 -5.344 -5.873 -5.720 1.00 0.00 O ATOM 1719 CG2 THR A 131 -4.001 -5.207 -3.867 1.00 0.00 C ATOM 0 H THR A 131 -6.510 -5.016 -3.725 1.00 0.00 H new ATOM 0 HA THR A 131 -5.102 -2.763 -4.385 1.00 0.00 H new ATOM 0 HB THR A 131 -3.854 -4.414 -5.846 1.00 0.00 H new ATOM 0 HG1 THR A 131 -6.199 -5.980 -5.254 1.00 0.00 H new ATOM 0 HG21 THR A 131 -3.318 -6.034 -4.063 1.00 0.00 H new ATOM 0 HG22 THR A 131 -3.450 -4.379 -3.421 1.00 0.00 H new ATOM 0 HG23 THR A 131 -4.781 -5.536 -3.180 1.00 0.00 H new ATOM 1727 N ASP A 132 -7.080 -3.734 -6.813 1.00 0.00 N ATOM 1728 CA ASP A 132 -7.638 -3.362 -8.099 1.00 0.00 C ATOM 1729 C ASP A 132 -8.753 -2.348 -7.932 1.00 0.00 C ATOM 1730 O ASP A 132 -8.922 -1.451 -8.755 1.00 0.00 O ATOM 1731 CB ASP A 132 -8.157 -4.596 -8.825 1.00 0.00 C ATOM 1732 CG ASP A 132 -8.774 -4.279 -10.173 1.00 0.00 C ATOM 1733 OD1 ASP A 132 -8.039 -4.190 -11.170 1.00 0.00 O ATOM 1734 OD2 ASP A 132 -10.009 -4.135 -10.265 1.00 0.00 O ATOM 0 H ASP A 132 -7.508 -4.559 -6.394 1.00 0.00 H new ATOM 0 HA ASP A 132 -6.847 -2.906 -8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -7.336 -5.300 -8.964 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -8.900 -5.092 -8.200 1.00 0.00 H new ATOM 1739 N GLY A 133 -9.475 -2.467 -6.850 1.00 0.00 N ATOM 1740 CA GLY A 133 -10.601 -1.602 -6.605 1.00 0.00 C ATOM 1741 C GLY A 133 -11.512 -2.190 -5.570 1.00 0.00 C ATOM 1742 O GLY A 133 -11.115 -3.087 -4.859 1.00 0.00 O ATOM 0 H GLY A 133 -9.303 -3.158 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -10.249 -0.625 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -11.152 -1.444 -7.532 1.00 0.00 H new ATOM 1746 N TRP A 134 -12.730 -1.717 -5.497 1.00 0.00 N ATOM 1747 CA TRP A 134 -13.674 -2.192 -4.489 1.00 0.00 C ATOM 1748 C TRP A 134 -14.127 -3.621 -4.778 1.00 0.00 C ATOM 1749 O TRP A 134 -14.457 -3.963 -5.924 1.00 0.00 O ATOM 1750 CB TRP A 134 -14.890 -1.267 -4.396 1.00 0.00 C ATOM 1751 CG TRP A 134 -14.552 0.148 -4.047 1.00 0.00 C ATOM 1752 CD1 TRP A 134 -14.305 1.165 -4.917 1.00 0.00 C ATOM 1753 CD2 TRP A 134 -14.431 0.704 -2.734 1.00 0.00 C ATOM 1754 NE1 TRP A 134 -14.029 2.313 -4.230 1.00 0.00 N ATOM 1755 CE2 TRP A 134 -14.105 2.060 -2.888 1.00 0.00 C ATOM 1756 CE3 TRP A 134 -14.567 0.187 -1.448 1.00 0.00 C ATOM 1757 CZ2 TRP A 134 -13.915 2.907 -1.802 1.00 0.00 C ATOM 1758 CZ3 TRP A 134 -14.378 1.026 -0.373 1.00 0.00 C ATOM 1759 CH2 TRP A 134 -14.057 2.373 -0.556 1.00 0.00 C ATOM 0 H TRP A 134 -13.102 -1.001 -6.121 1.00 0.00 H new ATOM 0 HA TRP A 134 -13.154 -2.184 -3.531 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -15.417 -1.279 -5.350 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -15.577 -1.661 -3.647 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -14.324 1.077 -5.993 1.00 0.00 H new ATOM 0 HE1 TRP A 134 -13.803 3.214 -4.650 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -14.816 -0.853 -1.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 -13.664 3.948 -1.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 -14.480 0.636 0.629 1.00 0.00 H new ATOM 0 HH2 TRP A 134 -13.918 3.005 0.309 1.00 0.00 H new ATOM 1770 N THR A 135 -14.140 -4.443 -3.749 1.00 0.00 N ATOM 1771 CA THR A 135 -14.534 -5.839 -3.849 1.00 0.00 C ATOM 1772 C THR A 135 -16.021 -5.976 -4.146 1.00 0.00 C ATOM 1773 O THR A 135 -16.465 -6.953 -4.735 1.00 0.00 O ATOM 1774 CB THR A 135 -14.217 -6.569 -2.527 1.00 0.00 C ATOM 1775 OG1 THR A 135 -14.784 -5.824 -1.425 1.00 0.00 O ATOM 1776 CG2 THR A 135 -12.716 -6.702 -2.330 1.00 0.00 C ATOM 0 H THR A 135 -13.874 -4.160 -2.806 1.00 0.00 H new ATOM 0 HA THR A 135 -13.972 -6.285 -4.670 1.00 0.00 H new ATOM 0 HB THR A 135 -14.650 -7.569 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 135 -15.757 -5.938 -1.419 1.00 0.00 H new ATOM 0 HG21 THR A 135 -12.517 -7.220 -1.392 1.00 0.00 H new ATOM 0 HG22 THR A 135 -12.290 -7.271 -3.156 1.00 0.00 H new ATOM 0 HG23 THR A 135 -12.264 -5.711 -2.301 1.00 0.00 H new ATOM 1784 N ASN A 136 -16.769 -4.982 -3.758 1.00 0.00 N ATOM 1785 CA ASN A 136 -18.197 -4.988 -3.901 1.00 0.00 C ATOM 1786 C ASN A 136 -18.575 -3.704 -4.543 1.00 0.00 C ATOM 1787 O ASN A 136 -17.731 -2.813 -4.667 1.00 0.00 O ATOM 1788 CB ASN A 136 -18.874 -5.121 -2.531 1.00 0.00 C ATOM 1789 CG ASN A 136 -18.395 -6.336 -1.754 1.00 0.00 C ATOM 1790 OD1 ASN A 136 -17.409 -6.266 -1.006 1.00 0.00 O ATOM 1791 ND2 ASN A 136 -19.058 -7.443 -1.915 1.00 0.00 N ATOM 0 H ASN A 136 -16.399 -4.134 -3.328 1.00 0.00 H new ATOM 0 HA ASN A 136 -18.520 -5.834 -4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -18.681 -4.222 -1.946 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -19.953 -5.186 -2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -18.771 -8.286 -1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -19.865 -7.468 -2.538 1.00 0.00 H new ATOM 1798 N ASP A 137 -19.781 -3.588 -4.980 1.00 0.00 N ATOM 1799 CA ASP A 137 -20.203 -2.392 -5.647 1.00 0.00 C ATOM 1800 C ASP A 137 -21.131 -1.569 -4.773 1.00 0.00 C ATOM 1801 O ASP A 137 -20.676 -0.945 -3.830 1.00 0.00 O ATOM 1802 CB ASP A 137 -20.726 -2.667 -7.078 1.00 0.00 C ATOM 1803 CG ASP A 137 -21.889 -3.648 -7.164 1.00 0.00 C ATOM 1804 OD1 ASP A 137 -21.653 -4.872 -7.299 1.00 0.00 O ATOM 1805 OD2 ASP A 137 -23.066 -3.202 -7.116 1.00 0.00 O ATOM 0 H ASP A 137 -20.500 -4.306 -4.890 1.00 0.00 H new ATOM 0 HA ASP A 137 -19.327 -1.763 -5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -21.035 -1.721 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -19.903 -3.049 -7.682 1.00 0.00 H new ATOM 1810 N ILE A 138 -22.397 -1.569 -5.027 1.00 0.00 N ATOM 1811 CA ILE A 138 -23.319 -0.871 -4.178 1.00 0.00 C ATOM 1812 C ILE A 138 -24.415 -1.845 -3.777 1.00 0.00 C ATOM 1813 O ILE A 138 -25.307 -2.127 -4.584 1.00 0.00 O ATOM 1814 CB ILE A 138 -23.941 0.352 -4.900 1.00 0.00 C ATOM 1815 CG1 ILE A 138 -22.826 1.237 -5.463 1.00 0.00 C ATOM 1816 CG2 ILE A 138 -24.797 1.165 -3.906 1.00 0.00 C ATOM 1817 CD1 ILE A 138 -23.291 2.166 -6.533 1.00 0.00 C ATOM 0 H ILE A 138 -22.824 -2.047 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 138 -22.790 -0.497 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 138 -24.574 0.004 -5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -22.389 1.819 -4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -22.035 0.602 -5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -25.232 2.023 -4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -25.594 0.535 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -24.170 1.512 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -22.451 2.763 -6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -23.701 1.590 -7.362 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -24.061 2.825 -6.133 1.00 0.00 H new ATOM 1829 N PRO A 139 -24.296 -2.471 -2.578 1.00 0.00 N ATOM 1830 CA PRO A 139 -25.295 -3.410 -2.058 1.00 0.00 C ATOM 1831 C PRO A 139 -26.716 -2.846 -2.175 1.00 0.00 C ATOM 1832 O PRO A 139 -27.001 -1.711 -1.761 1.00 0.00 O ATOM 1833 CB PRO A 139 -24.898 -3.603 -0.588 1.00 0.00 C ATOM 1834 CG PRO A 139 -23.817 -2.625 -0.336 1.00 0.00 C ATOM 1835 CD PRO A 139 -23.170 -2.354 -1.649 1.00 0.00 C ATOM 0 HA PRO A 139 -25.309 -4.346 -2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -25.747 -3.428 0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -24.556 -4.622 -0.405 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -24.218 -1.707 0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -23.094 -3.022 0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -22.716 -1.364 -1.682 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -22.382 -3.074 -1.871 1.00 0.00 H new ATOM 1843 N ILE A 140 -27.575 -3.636 -2.741 1.00 0.00 N ATOM 1844 CA ILE A 140 -28.934 -3.232 -3.073 1.00 0.00 C ATOM 1845 C ILE A 140 -29.847 -3.299 -1.858 1.00 0.00 C ATOM 1846 O ILE A 140 -30.135 -4.377 -1.353 1.00 0.00 O ATOM 1847 CB ILE A 140 -29.505 -4.135 -4.194 1.00 0.00 C ATOM 1848 CG1 ILE A 140 -28.643 -4.056 -5.473 1.00 0.00 C ATOM 1849 CG2 ILE A 140 -30.973 -3.801 -4.503 1.00 0.00 C ATOM 1850 CD1 ILE A 140 -28.524 -2.663 -6.075 1.00 0.00 C ATOM 0 H ILE A 140 -27.361 -4.600 -2.996 1.00 0.00 H new ATOM 0 HA ILE A 140 -28.893 -2.199 -3.419 1.00 0.00 H new ATOM 0 HB ILE A 140 -29.471 -5.161 -3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -27.643 -4.425 -5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -29.066 -4.726 -6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -31.336 -4.456 -5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -31.576 -3.946 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -31.050 -2.763 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -27.901 -2.705 -6.969 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -29.515 -2.295 -6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -28.070 -1.990 -5.348 1.00 0.00 H new ATOM 1862 N CYS A 141 -30.283 -2.158 -1.407 1.00 0.00 N ATOM 1863 CA CYS A 141 -31.164 -2.054 -0.262 1.00 0.00 C ATOM 1864 C CYS A 141 -32.585 -2.372 -0.678 1.00 0.00 C ATOM 1865 O CYS A 141 -33.189 -1.654 -1.492 1.00 0.00 O ATOM 1866 CB CYS A 141 -31.024 -0.661 0.333 1.00 0.00 C ATOM 1867 SG CYS A 141 -29.275 -0.275 0.719 1.00 0.00 S ATOM 0 H CYS A 141 -30.039 -1.259 -1.823 1.00 0.00 H new ATOM 0 HA CYS A 141 -30.892 -2.777 0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -31.416 0.077 -0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -31.623 -0.589 1.240 1.00 0.00 H new ATOM 1872 N GLU A 142 -33.092 -3.463 -0.151 1.00 0.00 N ATOM 1873 CA GLU A 142 -34.371 -3.996 -0.525 1.00 0.00 C ATOM 1874 C GLU A 142 -34.930 -4.761 0.669 1.00 0.00 C ATOM 1875 O GLU A 142 -36.003 -4.382 1.188 1.00 0.00 O ATOM 1876 CB GLU A 142 -34.190 -4.927 -1.744 1.00 0.00 C ATOM 1877 CG GLU A 142 -35.456 -5.536 -2.334 1.00 0.00 C ATOM 1878 CD GLU A 142 -36.346 -4.536 -3.028 1.00 0.00 C ATOM 1879 OE1 GLU A 142 -36.053 -4.170 -4.188 1.00 0.00 O ATOM 1880 OE2 GLU A 142 -37.380 -4.135 -2.458 1.00 0.00 O ATOM 1881 OXT GLU A 142 -34.267 -5.703 1.138 1.00 0.00 O ATOM 0 H GLU A 142 -32.613 -4.012 0.563 1.00 0.00 H new ATOM 0 HA GLU A 142 -35.065 -3.202 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -33.685 -4.365 -2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -33.524 -5.740 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -35.177 -6.314 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -36.021 -6.020 -1.537 1.00 0.00 H new TER 1888 GLU A 142