USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 449 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 25 LYS NZ :NH3+ -138:sc= -1.91! (180deg=-2.95!) USER MOD Set 1.2: A 52 ASN : amide:sc= -1.53! K(o=-3.4!,f=-2.3) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= -4.18! C(o=-4.2!,f=-8!) USER MOD Set 3.1: A 5 ASN : amide:sc= -1.96! C(o=-1.1!,f=-13!) USER MOD Set 3.2: A 13 THR OG1 : rot 122:sc= 0.817 USER MOD Set 4.1: A 4 HIS : no HE2:sc= -5.59! C(o=-8.9!,f=-10!) USER MOD Set 4.2: A 6 GLN : amide:sc= -3.32! C(o=-8.9!,f=-8.7!) USER MOD Single : A 1 LEU N :NH3+ 140:sc= 0.0253 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.016) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.9!) USER MOD Single : A 14 THR OG1 : rot -170:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00317 USER MOD Single : A 18 SER OG : rot 29:sc= 0.25 USER MOD Single : A 24 TYR OH : rot 18:sc= 0.416 USER MOD Single : A 26 LYS NZ :NH3+ -125:sc= -0.292 (180deg=-0.534) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0973 X(o=-0.097,f=-0.51) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00634) USER MOD Single : A 46 LYS NZ :NH3+ 147:sc= -0.118 (180deg=-1.01) USER MOD Single : A 50 ASN : amide:sc=0.000671 X(o=0.00067,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.66! USER MOD Single : A 60 ASN : amide:sc= -2.87! C(o=-2.9!,f=-20!) USER MOD Single : A 61 ASN : amide:sc= 0.161 K(o=0.16,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.175 -15.260 2.103 1.00 0.00 N ATOM 2 CA LEU A 1 -5.798 -14.250 1.129 1.00 0.00 C ATOM 3 C LEU A 1 -4.632 -13.427 1.680 1.00 0.00 C ATOM 4 O LEU A 1 -4.634 -13.045 2.849 1.00 0.00 O ATOM 5 CB LEU A 1 -7.013 -13.407 0.734 1.00 0.00 C ATOM 6 CG LEU A 1 -6.725 -12.181 -0.134 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.550 -12.577 -1.601 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.807 -11.115 0.046 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.211 -15.343 2.134 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.762 -16.175 1.832 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.822 -14.986 3.042 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.451 -14.719 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.717 -14.047 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.511 -13.074 1.645 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.783 -11.743 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.346 -11.687 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.717 -13.274 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.462 -13.053 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.578 -10.254 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.775 -11.527 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.841 -10.803 1.090 1.00 0.00 H new ATOM 22 N GLU A 2 -3.663 -13.177 0.810 1.00 0.00 N ATOM 23 CA GLU A 2 -2.493 -12.407 1.195 1.00 0.00 C ATOM 24 C GLU A 2 -2.492 -11.052 0.482 1.00 0.00 C ATOM 25 O GLU A 2 -2.943 -10.946 -0.657 1.00 0.00 O ATOM 26 CB GLU A 2 -1.206 -13.181 0.902 1.00 0.00 C ATOM 27 CG GLU A 2 -1.251 -14.575 1.530 1.00 0.00 C ATOM 28 CD GLU A 2 -0.169 -15.479 0.936 1.00 0.00 C ATOM 29 OE1 GLU A 2 -0.009 -15.434 -0.303 1.00 0.00 O ATOM 30 OE2 GLU A 2 0.475 -16.194 1.734 1.00 0.00 O ATOM 0 H GLU A 2 -3.665 -13.494 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.535 -12.231 2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.067 -13.268 -0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.349 -12.630 1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.113 -14.497 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.232 -15.020 1.366 1.00 0.00 H new ATOM 37 N CYS A 3 -1.980 -10.051 1.183 1.00 0.00 N ATOM 38 CA CYS A 3 -1.915 -8.708 0.632 1.00 0.00 C ATOM 39 C CYS A 3 -0.548 -8.114 0.978 1.00 0.00 C ATOM 40 O CYS A 3 -0.066 -8.268 2.099 1.00 0.00 O ATOM 41 CB CYS A 3 -3.063 -7.833 1.138 1.00 0.00 C ATOM 42 SG CYS A 3 -4.708 -8.634 1.111 1.00 0.00 S ATOM 0 H CYS A 3 -1.606 -10.143 2.128 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.029 -8.750 -0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.842 -7.523 2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.105 -6.928 0.532 1.00 0.00 H new ATOM 47 N HIS A 4 0.037 -7.446 -0.005 1.00 0.00 N ATOM 48 CA HIS A 4 1.338 -6.827 0.181 1.00 0.00 C ATOM 49 C HIS A 4 1.247 -5.759 1.272 1.00 0.00 C ATOM 50 O HIS A 4 0.298 -4.976 1.302 1.00 0.00 O ATOM 51 CB HIS A 4 1.873 -6.278 -1.143 1.00 0.00 C ATOM 52 CG HIS A 4 2.578 -7.307 -1.995 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.933 -7.569 -1.887 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.102 -8.137 -2.967 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.247 -8.514 -2.761 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.111 -8.864 -3.430 1.00 0.00 N ATOM 0 H HIS A 4 -0.366 -7.320 -0.933 1.00 0.00 H new ATOM 0 HA HIS A 4 2.057 -7.576 0.514 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.044 -5.857 -1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.563 -5.461 -0.933 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.580 -7.112 -1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.077 -8.193 -3.303 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.230 -8.934 -2.916 1.00 0.00 H new ATOM 65 N ASN A 5 2.247 -5.760 2.141 1.00 0.00 N ATOM 66 CA ASN A 5 2.291 -4.800 3.232 1.00 0.00 C ATOM 67 C ASN A 5 3.557 -3.949 3.105 1.00 0.00 C ATOM 68 O ASN A 5 3.946 -3.265 4.050 1.00 0.00 O ATOM 69 CB ASN A 5 2.331 -5.508 4.587 1.00 0.00 C ATOM 70 CG ASN A 5 3.749 -5.974 4.921 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.438 -6.577 4.115 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.146 -5.662 6.152 1.00 0.00 N ATOM 0 H ASN A 5 3.033 -6.410 2.112 1.00 0.00 H new ATOM 0 HA ASN A 5 1.395 -4.182 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.974 -4.833 5.365 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.657 -6.364 4.574 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.077 -5.929 6.471 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.519 -5.155 6.777 1.00 0.00 H new ATOM 79 N GLN A 6 4.163 -4.020 1.929 1.00 0.00 N ATOM 80 CA GLN A 6 5.377 -3.264 1.667 1.00 0.00 C ATOM 81 C GLN A 6 5.047 -1.785 1.459 1.00 0.00 C ATOM 82 O GLN A 6 4.029 -1.452 0.854 1.00 0.00 O ATOM 83 CB GLN A 6 6.127 -3.834 0.462 1.00 0.00 C ATOM 84 CG GLN A 6 5.157 -4.208 -0.661 1.00 0.00 C ATOM 85 CD GLN A 6 5.799 -3.994 -2.034 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.329 -2.939 -2.343 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.723 -5.051 -2.837 1.00 0.00 N ATOM 0 H GLN A 6 3.837 -4.589 1.147 1.00 0.00 H new ATOM 0 HA GLN A 6 6.031 -3.351 2.535 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.846 -3.101 0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.694 -4.714 0.765 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.856 -5.250 -0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.252 -3.605 -0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.265 -5.904 -2.515 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.123 -5.009 -3.775 1.00 0.00 H new ATOM 96 N GLN A 7 5.926 -0.937 1.971 1.00 0.00 N ATOM 97 CA GLN A 7 5.741 0.499 1.849 1.00 0.00 C ATOM 98 C GLN A 7 6.724 1.075 0.828 1.00 0.00 C ATOM 99 O GLN A 7 7.738 0.453 0.517 1.00 0.00 O ATOM 100 CB GLN A 7 5.892 1.189 3.206 1.00 0.00 C ATOM 101 CG GLN A 7 6.974 0.510 4.049 1.00 0.00 C ATOM 102 CD GLN A 7 7.521 1.465 5.112 1.00 0.00 C ATOM 103 OE1 GLN A 7 7.424 1.228 6.305 1.00 0.00 O ATOM 104 NE2 GLN A 7 8.099 2.555 4.615 1.00 0.00 N ATOM 0 H GLN A 7 6.769 -1.217 2.472 1.00 0.00 H new ATOM 0 HA GLN A 7 4.727 0.687 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.146 2.239 3.058 1.00 0.00 H new ATOM 0 HB3 GLN A 7 4.941 1.164 3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.562 -0.377 4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.786 0.175 3.404 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.147 2.692 3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.495 3.254 5.244 1.00 0.00 H new ATOM 113 N SER A 8 6.389 2.259 0.335 1.00 0.00 N ATOM 114 CA SER A 8 7.229 2.926 -0.644 1.00 0.00 C ATOM 115 C SER A 8 7.871 1.894 -1.573 1.00 0.00 C ATOM 116 O SER A 8 7.203 0.974 -2.042 1.00 0.00 O ATOM 117 CB SER A 8 8.307 3.770 0.039 1.00 0.00 C ATOM 118 OG SER A 8 7.789 4.507 1.142 1.00 0.00 O ATOM 0 H SER A 8 5.547 2.773 0.596 1.00 0.00 H new ATOM 0 HA SER A 8 6.602 3.595 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.112 3.121 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.741 4.459 -0.686 1.00 0.00 H new ATOM 0 HG SER A 8 8.508 5.031 1.552 1.00 0.00 H new ATOM 124 N SER A 9 9.161 2.081 -1.811 1.00 0.00 N ATOM 125 CA SER A 9 9.901 1.178 -2.676 1.00 0.00 C ATOM 126 C SER A 9 10.525 0.053 -1.846 1.00 0.00 C ATOM 127 O SER A 9 11.197 -0.823 -2.388 1.00 0.00 O ATOM 128 CB SER A 9 10.985 1.926 -3.455 1.00 0.00 C ATOM 129 OG SER A 9 11.906 2.586 -2.590 1.00 0.00 O ATOM 0 H SER A 9 9.713 2.845 -1.420 1.00 0.00 H new ATOM 0 HA SER A 9 9.205 0.748 -3.396 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.524 1.224 -4.091 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.518 2.658 -4.114 1.00 0.00 H new ATOM 0 HG SER A 9 12.583 3.050 -3.126 1.00 0.00 H new ATOM 135 N GLN A 10 10.279 0.115 -0.546 1.00 0.00 N ATOM 136 CA GLN A 10 10.808 -0.887 0.364 1.00 0.00 C ATOM 137 C GLN A 10 10.623 -2.288 -0.224 1.00 0.00 C ATOM 138 O GLN A 10 9.918 -2.460 -1.217 1.00 0.00 O ATOM 139 CB GLN A 10 10.151 -0.779 1.741 1.00 0.00 C ATOM 140 CG GLN A 10 10.122 0.673 2.222 1.00 0.00 C ATOM 141 CD GLN A 10 11.469 1.357 1.983 1.00 0.00 C ATOM 142 OE1 GLN A 10 12.521 0.738 2.001 1.00 0.00 O ATOM 143 NE2 GLN A 10 11.380 2.665 1.758 1.00 0.00 N ATOM 0 H GLN A 10 9.721 0.843 -0.101 1.00 0.00 H new ATOM 0 HA GLN A 10 11.875 -0.706 0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.135 -1.171 1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.697 -1.392 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.336 1.217 1.699 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.878 0.703 3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.468 3.121 1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.224 3.212 1.587 1.00 0.00 H new ATOM 152 N PRO A 11 11.268 -3.253 0.415 1.00 0.00 N ATOM 153 CA PRO A 11 11.235 -4.665 0.029 1.00 0.00 C ATOM 154 C PRO A 11 9.792 -5.175 0.050 1.00 0.00 C ATOM 155 O PRO A 11 9.084 -5.001 1.040 1.00 0.00 O ATOM 156 CB PRO A 11 12.048 -5.359 1.123 1.00 0.00 C ATOM 157 CG PRO A 11 12.953 -4.277 1.638 1.00 0.00 C ATOM 158 CD PRO A 11 12.105 -3.036 1.597 1.00 0.00 C ATOM 0 HA PRO A 11 11.627 -4.844 -0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.405 -5.751 1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.616 -6.200 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.295 -4.492 2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.842 -4.172 1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.507 -2.925 2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.711 -2.135 1.503 1.00 0.00 H new ATOM 166 N PRO A 12 9.400 -5.795 -1.053 1.00 0.00 N ATOM 167 CA PRO A 12 8.066 -6.363 -1.252 1.00 0.00 C ATOM 168 C PRO A 12 7.781 -7.413 -0.176 1.00 0.00 C ATOM 169 O PRO A 12 8.549 -8.360 -0.012 1.00 0.00 O ATOM 170 CB PRO A 12 8.158 -7.035 -2.624 1.00 0.00 C ATOM 171 CG PRO A 12 9.258 -6.285 -3.316 1.00 0.00 C ATOM 172 CD PRO A 12 10.253 -5.998 -2.227 1.00 0.00 C ATOM 0 HA PRO A 12 7.272 -5.618 -1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.392 -8.096 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.218 -6.960 -3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.703 -6.878 -4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.888 -5.365 -3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.947 -6.827 -2.084 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.852 -5.115 -2.449 1.00 0.00 H new ATOM 180 N THR A 13 6.677 -7.210 0.528 1.00 0.00 N ATOM 181 CA THR A 13 6.283 -8.128 1.583 1.00 0.00 C ATOM 182 C THR A 13 4.802 -8.487 1.452 1.00 0.00 C ATOM 183 O THR A 13 4.097 -7.933 0.610 1.00 0.00 O ATOM 184 CB THR A 13 6.637 -7.485 2.925 1.00 0.00 C ATOM 185 OG1 THR A 13 6.337 -6.105 2.739 1.00 0.00 O ATOM 186 CG2 THR A 13 8.141 -7.506 3.206 1.00 0.00 C ATOM 0 H THR A 13 6.043 -6.423 0.388 1.00 0.00 H new ATOM 0 HA THR A 13 6.821 -9.073 1.507 1.00 0.00 H new ATOM 0 HB THR A 13 6.111 -8.005 3.726 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.676 -5.821 3.404 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.338 -7.038 4.170 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.493 -8.537 3.225 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.665 -6.958 2.423 1.00 0.00 H new ATOM 194 N THR A 14 4.373 -9.412 2.298 1.00 0.00 N ATOM 195 CA THR A 14 2.988 -9.852 2.288 1.00 0.00 C ATOM 196 C THR A 14 2.518 -10.166 3.709 1.00 0.00 C ATOM 197 O THR A 14 3.333 -10.428 4.593 1.00 0.00 O ATOM 198 CB THR A 14 2.877 -11.042 1.333 1.00 0.00 C ATOM 199 OG1 THR A 14 4.078 -11.777 1.554 1.00 0.00 O ATOM 200 CG2 THR A 14 2.960 -10.625 -0.136 1.00 0.00 C ATOM 0 H THR A 14 4.960 -9.869 2.995 1.00 0.00 H new ATOM 0 HA THR A 14 2.325 -9.065 1.927 1.00 0.00 H new ATOM 0 HB THR A 14 1.935 -11.562 1.509 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.166 -12.474 0.870 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.876 -11.508 -0.770 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.148 -9.935 -0.365 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.916 -10.135 -0.322 1.00 0.00 H new ATOM 208 N LYS A 15 1.205 -10.131 3.885 1.00 0.00 N ATOM 209 CA LYS A 15 0.617 -10.409 5.184 1.00 0.00 C ATOM 210 C LYS A 15 -0.750 -11.068 4.990 1.00 0.00 C ATOM 211 O LYS A 15 -1.440 -10.797 4.008 1.00 0.00 O ATOM 212 CB LYS A 15 0.571 -9.138 6.035 1.00 0.00 C ATOM 213 CG LYS A 15 0.543 -9.477 7.527 1.00 0.00 C ATOM 214 CD LYS A 15 1.082 -8.315 8.364 1.00 0.00 C ATOM 215 CE LYS A 15 2.610 -8.353 8.435 1.00 0.00 C ATOM 216 NZ LYS A 15 3.106 -7.379 9.433 1.00 0.00 N ATOM 0 H LYS A 15 0.532 -9.914 3.150 1.00 0.00 H new ATOM 0 HA LYS A 15 1.236 -11.114 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.440 -8.518 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.312 -8.554 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.478 -9.707 7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.140 -10.370 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.758 -7.369 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.666 -8.364 9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.943 -9.356 8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.031 -8.126 7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.145 -7.417 9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.804 -6.421 9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.718 -7.613 10.369 1.00 0.00 H new ATOM 230 N THR A 16 -1.102 -11.920 5.941 1.00 0.00 N ATOM 231 CA THR A 16 -2.374 -12.620 5.887 1.00 0.00 C ATOM 232 C THR A 16 -3.512 -11.690 6.312 1.00 0.00 C ATOM 233 O THR A 16 -3.442 -11.058 7.364 1.00 0.00 O ATOM 234 CB THR A 16 -2.260 -13.876 6.752 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.965 -14.390 6.451 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.214 -14.985 6.303 1.00 0.00 C ATOM 0 H THR A 16 -0.528 -12.142 6.754 1.00 0.00 H new ATOM 0 HA THR A 16 -2.612 -12.930 4.870 1.00 0.00 H new ATOM 0 HB THR A 16 -2.464 -13.620 7.791 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.808 -15.205 6.971 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.093 -15.854 6.950 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.242 -14.628 6.364 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.988 -15.265 5.274 1.00 0.00 H new ATOM 244 N CYS A 17 -4.535 -11.637 5.471 1.00 0.00 N ATOM 245 CA CYS A 17 -5.687 -10.796 5.747 1.00 0.00 C ATOM 246 C CYS A 17 -6.614 -11.548 6.703 1.00 0.00 C ATOM 247 O CYS A 17 -7.064 -12.652 6.398 1.00 0.00 O ATOM 248 CB CYS A 17 -6.407 -10.383 4.461 1.00 0.00 C ATOM 249 SG CYS A 17 -5.302 -9.969 3.062 1.00 0.00 S ATOM 0 H CYS A 17 -4.590 -12.163 4.599 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.359 -9.869 6.216 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.069 -11.193 4.155 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.038 -9.520 4.675 1.00 0.00 H new ATOM 254 N SER A 18 -6.873 -10.921 7.842 1.00 0.00 N ATOM 255 CA SER A 18 -7.738 -11.518 8.845 1.00 0.00 C ATOM 256 C SER A 18 -9.122 -10.867 8.797 1.00 0.00 C ATOM 257 O SER A 18 -9.259 -9.672 9.055 1.00 0.00 O ATOM 258 CB SER A 18 -7.135 -11.380 10.245 1.00 0.00 C ATOM 259 OG SER A 18 -6.806 -10.029 10.553 1.00 0.00 O ATOM 0 H SER A 18 -6.499 -10.006 8.092 1.00 0.00 H new ATOM 0 HA SER A 18 -7.835 -12.581 8.624 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.842 -11.758 10.983 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.239 -11.997 10.316 1.00 0.00 H new ATOM 0 HG SER A 18 -7.410 -9.427 10.070 1.00 0.00 H new ATOM 265 N GLY A 19 -10.113 -11.682 8.464 1.00 0.00 N ATOM 266 CA GLY A 19 -11.481 -11.200 8.379 1.00 0.00 C ATOM 267 C GLY A 19 -11.714 -10.440 7.071 1.00 0.00 C ATOM 268 O GLY A 19 -12.853 -10.138 6.719 1.00 0.00 O ATOM 0 H GLY A 19 -9.995 -12.672 8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.171 -12.041 8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.694 -10.548 9.226 1.00 0.00 H new ATOM 272 N GLU A 20 -10.616 -10.153 6.387 1.00 0.00 N ATOM 273 CA GLU A 20 -10.686 -9.434 5.126 1.00 0.00 C ATOM 274 C GLU A 20 -10.487 -10.398 3.954 1.00 0.00 C ATOM 275 O GLU A 20 -9.907 -11.469 4.119 1.00 0.00 O ATOM 276 CB GLU A 20 -9.661 -8.300 5.084 1.00 0.00 C ATOM 277 CG GLU A 20 -9.569 -7.593 6.438 1.00 0.00 C ATOM 278 CD GLU A 20 -8.313 -6.722 6.517 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.212 -7.314 6.530 1.00 0.00 O ATOM 280 OE2 GLU A 20 -8.483 -5.485 6.563 1.00 0.00 O ATOM 0 H GLU A 20 -9.673 -10.405 6.682 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.676 -8.987 5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.684 -8.698 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.940 -7.582 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.454 -6.976 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.554 -8.333 7.238 1.00 0.00 H new ATOM 287 N THR A 21 -10.980 -9.981 2.797 1.00 0.00 N ATOM 288 CA THR A 21 -10.864 -10.793 1.598 1.00 0.00 C ATOM 289 C THR A 21 -10.463 -9.926 0.403 1.00 0.00 C ATOM 290 O THR A 21 -10.590 -10.348 -0.745 1.00 0.00 O ATOM 291 CB THR A 21 -12.189 -11.531 1.396 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.180 -10.552 1.694 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.417 -12.623 2.444 1.00 0.00 C ATOM 0 H THR A 21 -11.461 -9.091 2.665 1.00 0.00 H new ATOM 0 HA THR A 21 -10.074 -11.537 1.699 1.00 0.00 H new ATOM 0 HB THR A 21 -12.210 -11.974 0.400 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.071 -10.945 1.587 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.371 -13.115 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.613 -13.356 2.386 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.430 -12.176 3.438 1.00 0.00 H new ATOM 301 N ASN A 22 -9.987 -8.730 0.715 1.00 0.00 N ATOM 302 CA ASN A 22 -9.567 -7.799 -0.319 1.00 0.00 C ATOM 303 C ASN A 22 -8.227 -7.175 0.076 1.00 0.00 C ATOM 304 O ASN A 22 -7.897 -7.102 1.259 1.00 0.00 O ATOM 305 CB ASN A 22 -10.583 -6.668 -0.489 1.00 0.00 C ATOM 306 CG ASN A 22 -11.954 -7.219 -0.886 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.306 -7.298 -2.052 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.706 -7.593 0.145 1.00 0.00 N ATOM 0 H ASN A 22 -9.883 -8.384 1.669 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.483 -8.351 -1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.668 -6.107 0.442 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.233 -5.971 -1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.639 -7.973 -0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.350 -7.500 1.096 1.00 0.00 H new ATOM 315 N CYS A 23 -7.491 -6.741 -0.937 1.00 0.00 N ATOM 316 CA CYS A 23 -6.194 -6.125 -0.709 1.00 0.00 C ATOM 317 C CYS A 23 -6.257 -4.677 -1.200 1.00 0.00 C ATOM 318 O CYS A 23 -6.816 -4.402 -2.261 1.00 0.00 O ATOM 319 CB CYS A 23 -5.069 -6.909 -1.388 1.00 0.00 C ATOM 320 SG CYS A 23 -5.016 -8.691 -0.971 1.00 0.00 S ATOM 0 H CYS A 23 -7.768 -6.804 -1.917 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.965 -6.137 0.357 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.174 -6.806 -2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.115 -6.458 -1.116 1.00 0.00 H new ATOM 325 N TYR A 24 -5.677 -3.791 -0.405 1.00 0.00 N ATOM 326 CA TYR A 24 -5.660 -2.378 -0.745 1.00 0.00 C ATOM 327 C TYR A 24 -4.227 -1.878 -0.939 1.00 0.00 C ATOM 328 O TYR A 24 -3.296 -2.401 -0.329 1.00 0.00 O ATOM 329 CB TYR A 24 -6.285 -1.650 0.446 1.00 0.00 C ATOM 330 CG TYR A 24 -5.325 -1.438 1.619 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.524 -0.315 1.660 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.261 -2.369 2.635 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.621 -0.115 2.764 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.358 -2.170 3.739 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.583 -1.052 3.749 1.00 0.00 C ATOM 336 OH TYR A 24 -2.730 -0.864 4.791 1.00 0.00 O ATOM 0 H TYR A 24 -5.215 -4.024 0.474 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.201 -2.200 -1.674 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.655 -0.680 0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.148 -2.218 0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.574 0.414 0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.888 -3.247 2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.988 0.759 2.809 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.297 -2.892 4.540 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.457 0.077 4.825 1.00 0.00 H new ATOM 346 N LYS A 25 -4.096 -0.872 -1.791 1.00 0.00 N ATOM 347 CA LYS A 25 -2.792 -0.295 -2.073 1.00 0.00 C ATOM 348 C LYS A 25 -2.911 1.230 -2.109 1.00 0.00 C ATOM 349 O LYS A 25 -3.606 1.782 -2.960 1.00 0.00 O ATOM 350 CB LYS A 25 -2.205 -0.897 -3.351 1.00 0.00 C ATOM 351 CG LYS A 25 -0.958 -0.130 -3.795 1.00 0.00 C ATOM 352 CD LYS A 25 -0.551 -0.522 -5.217 1.00 0.00 C ATOM 353 CE LYS A 25 -1.745 -0.445 -6.170 1.00 0.00 C ATOM 354 NZ LYS A 25 -2.455 -1.743 -6.217 1.00 0.00 N ATOM 0 H LYS A 25 -4.871 -0.442 -2.295 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.086 -0.541 -1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.952 -1.943 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.952 -0.875 -4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.151 0.942 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.137 -0.335 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.242 0.139 -5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.146 -1.534 -5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.429 0.339 -5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.404 -0.174 -7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.714 -1.961 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.835 -2.492 -5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.316 -1.689 -5.636 1.00 0.00 H new ATOM 368 N LYS A 26 -2.221 1.867 -1.174 1.00 0.00 N ATOM 369 CA LYS A 26 -2.240 3.317 -1.088 1.00 0.00 C ATOM 370 C LYS A 26 -0.878 3.868 -1.517 1.00 0.00 C ATOM 371 O LYS A 26 0.156 3.268 -1.227 1.00 0.00 O ATOM 372 CB LYS A 26 -2.672 3.766 0.309 1.00 0.00 C ATOM 373 CG LYS A 26 -2.475 5.273 0.487 1.00 0.00 C ATOM 374 CD LYS A 26 -2.917 5.723 1.881 1.00 0.00 C ATOM 375 CE LYS A 26 -2.094 6.921 2.357 1.00 0.00 C ATOM 376 NZ LYS A 26 -2.900 7.781 3.252 1.00 0.00 N ATOM 0 H LYS A 26 -1.645 1.405 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.981 3.729 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.720 3.511 0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.095 3.229 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.426 5.527 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.046 5.810 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.974 5.988 1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.806 4.898 2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.204 6.573 2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.752 7.499 1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.903 8.755 2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.876 7.423 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.489 7.770 4.207 1.00 0.00 H new ATOM 390 N TRP A 27 -0.922 5.002 -2.200 1.00 0.00 N ATOM 391 CA TRP A 27 0.296 5.639 -2.671 1.00 0.00 C ATOM 392 C TRP A 27 -0.016 7.113 -2.940 1.00 0.00 C ATOM 393 O TRP A 27 -1.111 7.448 -3.389 1.00 0.00 O ATOM 394 CB TRP A 27 0.856 4.913 -3.896 1.00 0.00 C ATOM 395 CG TRP A 27 0.026 5.105 -5.167 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.209 6.005 -6.143 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.131 4.339 -5.562 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.743 5.875 -7.134 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.583 4.830 -6.770 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.775 3.267 -4.919 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.697 4.310 -7.440 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.886 2.758 -5.602 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.354 3.241 -6.819 1.00 0.00 C ATOM 0 H TRP A 27 -1.782 5.496 -2.439 1.00 0.00 H new ATOM 0 HA TRP A 27 1.079 5.581 -1.915 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.871 5.264 -4.081 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.922 3.848 -3.675 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.001 6.739 -6.153 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.816 6.442 -7.979 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.439 2.868 -3.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.031 4.712 -8.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.417 1.932 -5.152 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.220 2.794 -7.283 1.00 0.00 H new ATOM 414 N TRP A 28 0.967 7.954 -2.655 1.00 0.00 N ATOM 415 CA TRP A 28 0.811 9.384 -2.861 1.00 0.00 C ATOM 416 C TRP A 28 2.207 10.003 -2.953 1.00 0.00 C ATOM 417 O TRP A 28 3.206 9.334 -2.692 1.00 0.00 O ATOM 418 CB TRP A 28 -0.047 10.007 -1.758 1.00 0.00 C ATOM 419 CG TRP A 28 0.604 9.982 -0.374 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.177 10.998 0.287 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.726 8.839 0.499 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.658 10.595 1.516 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.375 9.240 1.649 1.00 0.00 C ATOM 424 CE3 TRP A 28 0.303 7.510 0.322 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.658 8.373 2.711 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.594 6.656 1.393 1.00 0.00 C ATOM 427 CH2 TRP A 28 1.246 7.044 2.557 1.00 0.00 C ATOM 0 H TRP A 28 1.874 7.673 -2.283 1.00 0.00 H new ATOM 0 HA TRP A 28 0.279 9.584 -3.791 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.269 11.040 -2.025 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.999 9.478 -1.710 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.253 12.006 -0.095 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.134 11.183 2.201 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.206 7.174 -0.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.167 8.711 3.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.290 5.623 1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.434 6.324 3.339 1.00 0.00 H new ATOM 438 N SER A 29 2.233 11.275 -3.324 1.00 0.00 N ATOM 439 CA SER A 29 3.490 11.992 -3.453 1.00 0.00 C ATOM 440 C SER A 29 3.687 12.924 -2.256 1.00 0.00 C ATOM 441 O SER A 29 2.716 13.377 -1.651 1.00 0.00 O ATOM 442 CB SER A 29 3.538 12.788 -4.759 1.00 0.00 C ATOM 443 OG SER A 29 2.518 13.781 -4.816 1.00 0.00 O ATOM 0 H SER A 29 1.403 11.827 -3.539 1.00 0.00 H new ATOM 0 HA SER A 29 4.299 11.262 -3.473 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.514 13.264 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.429 12.107 -5.603 1.00 0.00 H new ATOM 0 HG SER A 29 2.583 14.269 -5.664 1.00 0.00 H new ATOM 449 N ASP A 30 4.950 13.182 -1.949 1.00 0.00 N ATOM 450 CA ASP A 30 5.286 14.052 -0.835 1.00 0.00 C ATOM 451 C ASP A 30 6.541 14.856 -1.182 1.00 0.00 C ATOM 452 O ASP A 30 7.232 14.547 -2.151 1.00 0.00 O ATOM 453 CB ASP A 30 5.580 13.240 0.428 1.00 0.00 C ATOM 454 CG ASP A 30 4.405 12.409 0.950 1.00 0.00 C ATOM 455 OD1 ASP A 30 3.862 11.625 0.143 1.00 0.00 O ATOM 456 OD2 ASP A 30 4.078 12.577 2.145 1.00 0.00 O ATOM 0 H ASP A 30 5.753 12.804 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 30 4.436 14.709 -0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.417 12.572 0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.901 13.923 1.215 1.00 0.00 H new ATOM 461 N HIS A 31 6.797 15.872 -0.371 1.00 0.00 N ATOM 462 CA HIS A 31 7.956 16.722 -0.580 1.00 0.00 C ATOM 463 C HIS A 31 9.234 15.919 -0.331 1.00 0.00 C ATOM 464 O HIS A 31 10.332 16.382 -0.636 1.00 0.00 O ATOM 465 CB HIS A 31 7.869 17.981 0.285 1.00 0.00 C ATOM 466 CG HIS A 31 8.360 17.789 1.700 1.00 0.00 C ATOM 467 ND1 HIS A 31 9.677 17.994 2.072 1.00 0.00 N ATOM 468 CD2 HIS A 31 7.696 17.409 2.830 1.00 0.00 C ATOM 469 CE1 HIS A 31 9.790 17.745 3.368 1.00 0.00 C ATOM 470 NE2 HIS A 31 8.562 17.382 3.836 1.00 0.00 N ATOM 0 H HIS A 31 6.221 16.125 0.432 1.00 0.00 H new ATOM 0 HA HIS A 31 7.979 17.063 -1.615 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.450 18.774 -0.186 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.833 18.319 0.313 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.645 17.171 2.895 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.696 17.817 3.952 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.344 17.131 4.800 1.00 0.00 H new ATOM 479 N ARG A 32 9.048 14.729 0.221 1.00 0.00 N ATOM 480 CA ARG A 32 10.173 13.856 0.514 1.00 0.00 C ATOM 481 C ARG A 32 10.276 12.752 -0.540 1.00 0.00 C ATOM 482 O ARG A 32 11.365 12.245 -0.808 1.00 0.00 O ATOM 483 CB ARG A 32 10.030 13.219 1.898 1.00 0.00 C ATOM 484 CG ARG A 32 9.843 14.288 2.976 1.00 0.00 C ATOM 485 CD ARG A 32 9.296 13.675 4.267 1.00 0.00 C ATOM 486 NE ARG A 32 10.123 12.514 4.666 1.00 0.00 N ATOM 487 CZ ARG A 32 9.847 11.719 5.708 1.00 0.00 C ATOM 488 NH1 ARG A 32 8.764 11.953 6.462 1.00 0.00 N ATOM 489 NH2 ARG A 32 10.653 10.688 5.996 1.00 0.00 N ATOM 0 H ARG A 32 8.136 14.349 0.473 1.00 0.00 H new ATOM 0 HA ARG A 32 11.078 14.464 0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.178 12.539 1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.915 12.623 2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.796 14.778 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.159 15.057 2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.295 14.421 5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.262 13.363 4.121 1.00 0.00 H new ATOM 0 HE ARG A 32 10.955 12.307 4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.149 12.737 6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.554 11.347 7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.477 10.509 5.422 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.443 10.083 6.790 1.00 0.00 H new ATOM 503 N GLY A 33 9.129 12.411 -1.109 1.00 0.00 N ATOM 504 CA GLY A 33 9.078 11.376 -2.127 1.00 0.00 C ATOM 505 C GLY A 33 7.691 10.732 -2.184 1.00 0.00 C ATOM 506 O GLY A 33 6.772 11.166 -1.491 1.00 0.00 O ATOM 0 H GLY A 33 8.228 12.833 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.325 11.804 -3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.828 10.614 -1.915 1.00 0.00 H new ATOM 510 N THR A 34 7.584 9.707 -3.017 1.00 0.00 N ATOM 511 CA THR A 34 6.325 8.999 -3.174 1.00 0.00 C ATOM 512 C THR A 34 6.155 7.961 -2.062 1.00 0.00 C ATOM 513 O THR A 34 6.919 7.000 -1.983 1.00 0.00 O ATOM 514 CB THR A 34 6.293 8.395 -4.579 1.00 0.00 C ATOM 515 OG1 THR A 34 5.940 9.490 -5.420 1.00 0.00 O ATOM 516 CG2 THR A 34 5.147 7.399 -4.763 1.00 0.00 C ATOM 0 H THR A 34 8.349 9.350 -3.590 1.00 0.00 H new ATOM 0 HA THR A 34 5.476 9.676 -3.077 1.00 0.00 H new ATOM 0 HB THR A 34 7.242 7.897 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.898 9.187 -6.351 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.171 7.001 -5.777 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.257 6.582 -4.050 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.196 7.903 -4.593 1.00 0.00 H new ATOM 524 N ILE A 35 5.148 8.190 -1.232 1.00 0.00 N ATOM 525 CA ILE A 35 4.868 7.286 -0.128 1.00 0.00 C ATOM 526 C ILE A 35 3.842 6.244 -0.576 1.00 0.00 C ATOM 527 O ILE A 35 2.841 6.583 -1.205 1.00 0.00 O ATOM 528 CB ILE A 35 4.444 8.073 1.114 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.466 9.162 1.448 1.00 0.00 C ATOM 530 CG2 ILE A 35 4.197 7.136 2.298 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.157 9.806 2.801 1.00 0.00 C ATOM 0 H ILE A 35 4.516 8.988 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 35 5.769 6.744 0.159 1.00 0.00 H new ATOM 0 HB ILE A 35 3.500 8.573 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.468 8.733 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.459 9.924 0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.897 7.720 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.406 6.430 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.112 6.589 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.898 10.576 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.164 10.255 2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.188 9.046 3.581 1.00 0.00 H new ATOM 543 N ILE A 36 4.127 4.995 -0.235 1.00 0.00 N ATOM 544 CA ILE A 36 3.241 3.901 -0.594 1.00 0.00 C ATOM 545 C ILE A 36 2.945 3.061 0.650 1.00 0.00 C ATOM 546 O ILE A 36 3.864 2.618 1.337 1.00 0.00 O ATOM 547 CB ILE A 36 3.827 3.096 -1.755 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.468 4.018 -2.794 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.771 2.180 -2.376 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.081 3.212 -3.940 1.00 0.00 C ATOM 0 H ILE A 36 4.959 4.717 0.286 1.00 0.00 H new ATOM 0 HA ILE A 36 2.287 4.286 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 36 4.617 2.456 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.718 4.704 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.238 4.626 -2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.214 1.619 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.402 1.486 -1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.943 2.781 -2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.530 3.892 -4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.847 2.544 -3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.304 2.624 -4.428 1.00 0.00 H new ATOM 562 N GLU A 37 1.659 2.866 0.902 1.00 0.00 N ATOM 563 CA GLU A 37 1.231 2.087 2.051 1.00 0.00 C ATOM 564 C GLU A 37 0.207 1.032 1.625 1.00 0.00 C ATOM 565 O GLU A 37 -0.895 1.369 1.197 1.00 0.00 O ATOM 566 CB GLU A 37 0.663 2.992 3.146 1.00 0.00 C ATOM 567 CG GLU A 37 0.837 2.356 4.527 1.00 0.00 C ATOM 568 CD GLU A 37 -0.296 1.371 4.824 1.00 0.00 C ATOM 569 OE1 GLU A 37 -1.418 1.633 4.338 1.00 0.00 O ATOM 570 OE2 GLU A 37 -0.014 0.379 5.530 1.00 0.00 O ATOM 0 H GLU A 37 0.899 3.234 0.330 1.00 0.00 H new ATOM 0 HA GLU A 37 2.101 1.575 2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.166 3.959 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.394 3.177 2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.795 1.839 4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.856 3.134 5.290 1.00 0.00 H new ATOM 577 N ARG A 38 0.609 -0.223 1.758 1.00 0.00 N ATOM 578 CA ARG A 38 -0.259 -1.330 1.392 1.00 0.00 C ATOM 579 C ARG A 38 -0.591 -2.174 2.624 1.00 0.00 C ATOM 580 O ARG A 38 0.111 -2.108 3.633 1.00 0.00 O ATOM 581 CB ARG A 38 0.397 -2.219 0.335 1.00 0.00 C ATOM 582 CG ARG A 38 1.115 -1.376 -0.722 1.00 0.00 C ATOM 583 CD ARG A 38 1.906 -2.263 -1.685 1.00 0.00 C ATOM 584 NE ARG A 38 1.957 -1.635 -3.025 1.00 0.00 N ATOM 585 CZ ARG A 38 3.022 -0.981 -3.508 1.00 0.00 C ATOM 586 NH1 ARG A 38 4.131 -0.865 -2.764 1.00 0.00 N ATOM 587 NH2 ARG A 38 2.979 -0.443 -4.734 1.00 0.00 N ATOM 0 H ARG A 38 1.524 -0.498 2.114 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.175 -0.909 0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.108 -2.893 0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.360 -2.841 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.386 -0.787 -1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.789 -0.671 -0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.917 -2.414 -1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.441 -3.246 -1.752 1.00 0.00 H new ATOM 0 HE ARG A 38 1.130 -1.705 -3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.164 -1.275 -1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.942 -0.367 -3.131 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.135 -0.531 -5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.790 0.055 -5.101 1.00 0.00 H new ATOM 601 N GLY A 39 -1.659 -2.947 2.502 1.00 0.00 N ATOM 602 CA GLY A 39 -2.092 -3.804 3.594 1.00 0.00 C ATOM 603 C GLY A 39 -3.312 -4.634 3.189 1.00 0.00 C ATOM 604 O GLY A 39 -3.783 -4.540 2.056 1.00 0.00 O ATOM 0 H GLY A 39 -2.238 -2.999 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.277 -4.467 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.335 -3.195 4.465 1.00 0.00 H new ATOM 608 N CYS A 40 -3.788 -5.428 4.137 1.00 0.00 N ATOM 609 CA CYS A 40 -4.944 -6.274 3.893 1.00 0.00 C ATOM 610 C CYS A 40 -6.207 -5.443 4.132 1.00 0.00 C ATOM 611 O CYS A 40 -6.191 -4.496 4.918 1.00 0.00 O ATOM 612 CB CYS A 40 -4.917 -7.533 4.761 1.00 0.00 C ATOM 613 SG CYS A 40 -3.847 -8.877 4.130 1.00 0.00 S ATOM 0 H CYS A 40 -3.394 -5.503 5.075 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.930 -6.624 2.861 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.582 -7.260 5.762 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.934 -7.913 4.858 1.00 0.00 H new ATOM 618 N GLY A 41 -7.269 -5.827 3.441 1.00 0.00 N ATOM 619 CA GLY A 41 -8.538 -5.130 3.568 1.00 0.00 C ATOM 620 C GLY A 41 -8.702 -4.084 2.464 1.00 0.00 C ATOM 621 O GLY A 41 -7.965 -4.096 1.478 1.00 0.00 O ATOM 0 H GLY A 41 -7.277 -6.613 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.357 -5.847 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.595 -4.647 4.543 1.00 0.00 H new ATOM 625 N CYS A 42 -9.672 -3.205 2.665 1.00 0.00 N ATOM 626 CA CYS A 42 -9.942 -2.154 1.698 1.00 0.00 C ATOM 627 C CYS A 42 -10.406 -0.910 2.458 1.00 0.00 C ATOM 628 O CYS A 42 -11.589 -0.571 2.438 1.00 0.00 O ATOM 629 CB CYS A 42 -10.965 -2.598 0.651 1.00 0.00 C ATOM 630 SG CYS A 42 -11.488 -1.289 -0.515 1.00 0.00 S ATOM 0 H CYS A 42 -10.281 -3.199 3.483 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.032 -1.922 1.145 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.544 -3.426 0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.847 -2.981 1.165 1.00 0.00 H new ATOM 635 N PRO A 43 -9.451 -0.263 3.110 1.00 0.00 N ATOM 636 CA PRO A 43 -9.671 0.950 3.900 1.00 0.00 C ATOM 637 C PRO A 43 -10.000 2.138 2.994 1.00 0.00 C ATOM 638 O PRO A 43 -10.064 1.993 1.774 1.00 0.00 O ATOM 639 CB PRO A 43 -8.330 1.159 4.607 1.00 0.00 C ATOM 640 CG PRO A 43 -7.336 0.525 3.680 1.00 0.00 C ATOM 641 CD PRO A 43 -8.047 -0.678 3.124 1.00 0.00 C ATOM 0 HA PRO A 43 -10.509 0.863 4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.118 2.217 4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.318 0.688 5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.040 1.212 2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.427 0.239 4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.692 -0.929 2.125 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.894 -1.559 3.747 1.00 0.00 H new ATOM 649 N LYS A 44 -10.199 3.286 3.625 1.00 0.00 N ATOM 650 CA LYS A 44 -10.520 4.498 2.890 1.00 0.00 C ATOM 651 C LYS A 44 -9.382 5.507 3.057 1.00 0.00 C ATOM 652 O LYS A 44 -8.815 5.634 4.141 1.00 0.00 O ATOM 653 CB LYS A 44 -11.888 5.036 3.315 1.00 0.00 C ATOM 654 CG LYS A 44 -12.991 4.016 3.030 1.00 0.00 C ATOM 655 CD LYS A 44 -13.027 3.646 1.545 1.00 0.00 C ATOM 656 CE LYS A 44 -14.361 2.995 1.174 1.00 0.00 C ATOM 657 NZ LYS A 44 -15.406 4.026 0.988 1.00 0.00 N ATOM 0 H LYS A 44 -10.144 3.403 4.637 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.604 4.286 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.874 5.275 4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.099 5.964 2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.825 3.120 3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.956 4.425 3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.874 4.540 0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.209 2.963 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.247 2.415 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.663 2.299 1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.341 3.610 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.239 4.812 1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.373 4.381 0.011 1.00 0.00 H new ATOM 671 N VAL A 45 -9.083 6.200 1.968 1.00 0.00 N ATOM 672 CA VAL A 45 -8.024 7.194 1.981 1.00 0.00 C ATOM 673 C VAL A 45 -8.631 8.583 1.774 1.00 0.00 C ATOM 674 O VAL A 45 -9.774 8.705 1.338 1.00 0.00 O ATOM 675 CB VAL A 45 -6.964 6.842 0.935 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.419 5.431 1.160 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.519 6.997 -0.482 1.00 0.00 C ATOM 0 H VAL A 45 -9.556 6.092 1.071 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.519 7.202 2.947 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.136 7.542 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.668 5.206 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.967 5.369 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.234 4.710 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.745 6.741 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.373 6.332 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.835 8.029 -0.638 1.00 0.00 H new ATOM 687 N LYS A 46 -7.838 9.594 2.096 1.00 0.00 N ATOM 688 CA LYS A 46 -8.283 10.970 1.951 1.00 0.00 C ATOM 689 C LYS A 46 -8.029 11.434 0.516 1.00 0.00 C ATOM 690 O LYS A 46 -7.350 10.752 -0.250 1.00 0.00 O ATOM 691 CB LYS A 46 -7.630 11.859 3.010 1.00 0.00 C ATOM 692 CG LYS A 46 -7.533 11.132 4.353 1.00 0.00 C ATOM 693 CD LYS A 46 -7.571 12.123 5.518 1.00 0.00 C ATOM 694 CE LYS A 46 -6.215 12.809 5.698 1.00 0.00 C ATOM 695 NZ LYS A 46 -6.090 13.961 4.776 1.00 0.00 N ATOM 0 H LYS A 46 -6.890 9.488 2.457 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.356 11.044 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.634 12.153 2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.210 12.774 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.356 10.423 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.609 10.555 4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.341 12.873 5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.843 11.601 6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.106 13.147 6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.412 12.096 5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.520 14.706 5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.626 13.654 3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.036 14.334 4.556 1.00 0.00 H new ATOM 709 N PRO A 47 -8.586 12.593 0.195 1.00 0.00 N ATOM 710 CA PRO A 47 -8.475 13.227 -1.120 1.00 0.00 C ATOM 711 C PRO A 47 -7.003 13.478 -1.453 1.00 0.00 C ATOM 712 O PRO A 47 -6.251 13.979 -0.619 1.00 0.00 O ATOM 713 CB PRO A 47 -9.202 14.562 -0.941 1.00 0.00 C ATOM 714 CG PRO A 47 -10.156 14.301 0.189 1.00 0.00 C ATOM 715 CD PRO A 47 -9.393 13.397 1.116 1.00 0.00 C ATOM 0 HA PRO A 47 -8.890 12.619 -1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.507 15.367 -0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.728 14.856 -1.849 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.447 15.226 0.686 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.072 13.827 -0.165 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.771 13.962 1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.060 12.777 1.716 1.00 0.00 H new ATOM 723 N GLY A 48 -6.635 13.117 -2.674 1.00 0.00 N ATOM 724 CA GLY A 48 -5.266 13.296 -3.126 1.00 0.00 C ATOM 725 C GLY A 48 -4.498 11.973 -3.090 1.00 0.00 C ATOM 726 O GLY A 48 -3.653 11.718 -3.947 1.00 0.00 O ATOM 0 H GLY A 48 -7.261 12.702 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.264 13.694 -4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.764 14.029 -2.495 1.00 0.00 H new ATOM 730 N VAL A 49 -4.820 11.166 -2.090 1.00 0.00 N ATOM 731 CA VAL A 49 -4.172 9.876 -1.931 1.00 0.00 C ATOM 732 C VAL A 49 -4.803 8.870 -2.896 1.00 0.00 C ATOM 733 O VAL A 49 -5.987 8.971 -3.216 1.00 0.00 O ATOM 734 CB VAL A 49 -4.246 9.429 -0.470 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.255 8.297 -0.191 1.00 0.00 C ATOM 736 CG2 VAL A 49 -4.011 10.609 0.476 1.00 0.00 C ATOM 0 H VAL A 49 -5.522 11.381 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.114 9.948 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.250 9.047 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.329 7.999 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.488 7.444 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.242 8.641 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.069 10.265 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.025 11.034 0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.772 11.370 0.304 1.00 0.00 H new ATOM 746 N ASN A 50 -3.986 7.924 -3.333 1.00 0.00 N ATOM 747 CA ASN A 50 -4.449 6.901 -4.255 1.00 0.00 C ATOM 748 C ASN A 50 -4.704 5.604 -3.485 1.00 0.00 C ATOM 749 O ASN A 50 -3.973 5.279 -2.550 1.00 0.00 O ATOM 750 CB ASN A 50 -3.401 6.614 -5.331 1.00 0.00 C ATOM 751 CG ASN A 50 -3.379 7.723 -6.385 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.195 7.771 -7.290 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.401 8.609 -6.217 1.00 0.00 N ATOM 0 H ASN A 50 -3.005 7.844 -3.066 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.362 7.262 -4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.417 6.525 -4.871 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.617 5.658 -5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.301 9.388 -6.868 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.751 8.510 -5.437 1.00 0.00 H new ATOM 760 N LEU A 51 -5.743 4.897 -3.905 1.00 0.00 N ATOM 761 CA LEU A 51 -6.102 3.642 -3.267 1.00 0.00 C ATOM 762 C LEU A 51 -6.651 2.678 -4.320 1.00 0.00 C ATOM 763 O LEU A 51 -7.399 3.084 -5.209 1.00 0.00 O ATOM 764 CB LEU A 51 -7.062 3.890 -2.101 1.00 0.00 C ATOM 765 CG LEU A 51 -7.675 2.644 -1.460 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.588 1.664 -1.015 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.612 3.022 -0.311 1.00 0.00 C ATOM 0 H LEU A 51 -6.348 5.170 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.221 3.171 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.529 4.446 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.872 4.529 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.278 2.135 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.052 0.787 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.998 1.358 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.938 2.148 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.034 2.117 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.053 3.567 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.417 3.651 -0.690 1.00 0.00 H new ATOM 779 N ASN A 52 -6.260 1.420 -4.185 1.00 0.00 N ATOM 780 CA ASN A 52 -6.703 0.394 -5.114 1.00 0.00 C ATOM 781 C ASN A 52 -7.035 -0.882 -4.338 1.00 0.00 C ATOM 782 O ASN A 52 -6.176 -1.441 -3.659 1.00 0.00 O ATOM 783 CB ASN A 52 -5.608 0.059 -6.129 1.00 0.00 C ATOM 784 CG ASN A 52 -5.908 -1.260 -6.844 1.00 0.00 C ATOM 785 OD1 ASN A 52 -6.394 -1.293 -7.963 1.00 0.00 O ATOM 786 ND2 ASN A 52 -5.593 -2.342 -6.138 1.00 0.00 N ATOM 0 H ASN A 52 -5.641 1.087 -3.446 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.579 0.772 -5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.527 0.863 -6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.646 -0.009 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.755 -3.270 -6.528 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.189 -2.243 -5.207 1.00 0.00 H new ATOM 793 N CYS A 53 -8.284 -1.305 -4.465 1.00 0.00 N ATOM 794 CA CYS A 53 -8.741 -2.505 -3.784 1.00 0.00 C ATOM 795 C CYS A 53 -8.998 -3.586 -4.836 1.00 0.00 C ATOM 796 O CYS A 53 -9.432 -3.285 -5.947 1.00 0.00 O ATOM 797 CB CYS A 53 -9.980 -2.234 -2.929 1.00 0.00 C ATOM 798 SG CYS A 53 -9.772 -0.922 -1.670 1.00 0.00 S ATOM 0 H CYS A 53 -8.994 -0.838 -5.029 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.972 -2.848 -3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.805 -1.960 -3.587 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.267 -3.158 -2.427 1.00 0.00 H new ATOM 803 N CYS A 54 -8.720 -4.822 -4.448 1.00 0.00 N ATOM 804 CA CYS A 54 -8.916 -5.949 -5.344 1.00 0.00 C ATOM 805 C CYS A 54 -9.164 -7.198 -4.496 1.00 0.00 C ATOM 806 O CYS A 54 -8.884 -7.206 -3.299 1.00 0.00 O ATOM 807 CB CYS A 54 -7.730 -6.130 -6.293 1.00 0.00 C ATOM 808 SG CYS A 54 -6.092 -5.792 -5.550 1.00 0.00 S ATOM 0 H CYS A 54 -8.361 -5.068 -3.526 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.781 -5.765 -5.981 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.738 -7.153 -6.670 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.866 -5.472 -7.151 1.00 0.00 H new ATOM 813 N ARG A 55 -9.687 -8.224 -5.152 1.00 0.00 N ATOM 814 CA ARG A 55 -9.977 -9.476 -4.473 1.00 0.00 C ATOM 815 C ARG A 55 -9.044 -10.580 -4.976 1.00 0.00 C ATOM 816 O ARG A 55 -9.491 -11.688 -5.270 1.00 0.00 O ATOM 817 CB ARG A 55 -11.429 -9.902 -4.699 1.00 0.00 C ATOM 818 CG ARG A 55 -12.399 -8.873 -4.116 1.00 0.00 C ATOM 819 CD ARG A 55 -13.700 -8.829 -4.920 1.00 0.00 C ATOM 820 NE ARG A 55 -13.401 -8.639 -6.357 1.00 0.00 N ATOM 821 CZ ARG A 55 -12.941 -7.495 -6.883 1.00 0.00 C ATOM 822 NH1 ARG A 55 -12.726 -6.434 -6.095 1.00 0.00 N ATOM 823 NH2 ARG A 55 -12.698 -7.414 -8.198 1.00 0.00 N ATOM 0 H ARG A 55 -9.917 -8.214 -6.146 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.819 -9.319 -3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.616 -10.019 -5.767 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.603 -10.874 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.617 -9.121 -3.077 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.933 -7.888 -4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.258 -9.754 -4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.332 -8.016 -4.561 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.554 -9.427 -6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.912 -6.496 -5.094 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.376 -5.564 -6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.863 -8.222 -8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.348 -6.544 -8.599 1.00 0.00 H new ATOM 837 N THR A 56 -7.767 -10.240 -5.060 1.00 0.00 N ATOM 838 CA THR A 56 -6.768 -11.188 -5.522 1.00 0.00 C ATOM 839 C THR A 56 -5.555 -11.182 -4.590 1.00 0.00 C ATOM 840 O THR A 56 -5.176 -10.136 -4.065 1.00 0.00 O ATOM 841 CB THR A 56 -6.422 -10.841 -6.972 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.515 -9.420 -7.020 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.489 -11.318 -7.959 1.00 0.00 C ATOM 0 H THR A 56 -7.401 -9.320 -4.816 1.00 0.00 H new ATOM 0 HA THR A 56 -7.151 -12.208 -5.499 1.00 0.00 H new ATOM 0 HB THR A 56 -5.462 -11.286 -7.233 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.304 -9.109 -7.925 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.194 -11.046 -8.973 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.592 -12.401 -7.889 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.442 -10.847 -7.720 1.00 0.00 H new ATOM 851 N ASP A 57 -4.980 -12.363 -4.412 1.00 0.00 N ATOM 852 CA ASP A 57 -3.818 -12.507 -3.552 1.00 0.00 C ATOM 853 C ASP A 57 -2.671 -11.658 -4.104 1.00 0.00 C ATOM 854 O ASP A 57 -2.469 -11.594 -5.316 1.00 0.00 O ATOM 855 CB ASP A 57 -3.347 -13.962 -3.501 1.00 0.00 C ATOM 856 CG ASP A 57 -4.381 -14.958 -2.973 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.514 -15.034 -1.732 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.016 -15.621 -3.821 1.00 0.00 O ATOM 0 H ASP A 57 -5.297 -13.228 -4.849 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.099 -12.183 -2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.050 -14.267 -4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.457 -14.018 -2.874 1.00 0.00 H new ATOM 863 N ARG A 58 -1.950 -11.027 -3.189 1.00 0.00 N ATOM 864 CA ARG A 58 -0.829 -10.185 -3.570 1.00 0.00 C ATOM 865 C ARG A 58 -1.185 -9.353 -4.804 1.00 0.00 C ATOM 866 O ARG A 58 -0.345 -9.140 -5.677 1.00 0.00 O ATOM 867 CB ARG A 58 0.414 -11.025 -3.871 1.00 0.00 C ATOM 868 CG ARG A 58 0.541 -12.189 -2.885 1.00 0.00 C ATOM 869 CD ARG A 58 1.976 -12.717 -2.843 1.00 0.00 C ATOM 870 NE ARG A 58 2.193 -13.495 -1.603 1.00 0.00 N ATOM 871 CZ ARG A 58 3.355 -14.075 -1.273 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.412 -13.970 -2.090 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.460 -14.761 -0.127 1.00 0.00 N ATOM 0 H ARG A 58 -2.120 -11.082 -2.185 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.612 -9.523 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.359 -11.410 -4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.304 -10.398 -3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.241 -11.862 -1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.137 -12.991 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.167 -13.344 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.680 -11.886 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 58 1.409 -13.596 -0.959 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.332 -13.449 -2.963 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.297 -14.411 -1.839 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.655 -14.842 0.495 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.345 -15.202 0.124 1.00 0.00 H new ATOM 887 N CYS A 59 -2.431 -8.906 -4.837 1.00 0.00 N ATOM 888 CA CYS A 59 -2.909 -8.102 -5.950 1.00 0.00 C ATOM 889 C CYS A 59 -2.577 -6.637 -5.661 1.00 0.00 C ATOM 890 O CYS A 59 -2.486 -5.825 -6.580 1.00 0.00 O ATOM 891 CB CYS A 59 -4.404 -8.310 -6.197 1.00 0.00 C ATOM 892 SG CYS A 59 -5.501 -7.580 -4.928 1.00 0.00 S ATOM 0 H CYS A 59 -3.125 -9.085 -4.111 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.410 -8.413 -6.868 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.660 -7.884 -7.167 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.603 -9.380 -6.256 1.00 0.00 H new ATOM 897 N ASN A 60 -2.404 -6.343 -4.380 1.00 0.00 N ATOM 898 CA ASN A 60 -2.084 -4.990 -3.959 1.00 0.00 C ATOM 899 C ASN A 60 -0.568 -4.854 -3.804 1.00 0.00 C ATOM 900 O ASN A 60 -0.088 -4.353 -2.789 1.00 0.00 O ATOM 901 CB ASN A 60 -2.729 -4.666 -2.610 1.00 0.00 C ATOM 902 CG ASN A 60 -2.080 -5.474 -1.484 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.790 -6.651 -1.618 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.869 -4.777 -0.371 1.00 0.00 N ATOM 0 H ASN A 60 -2.480 -7.019 -3.620 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.464 -4.303 -4.715 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.630 -3.601 -2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.796 -4.885 -2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.440 -5.226 0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.136 -3.794 -0.327 1.00 0.00 H new ATOM 911 N ASN A 61 0.142 -5.310 -4.825 1.00 0.00 N ATOM 912 CA ASN A 61 1.594 -5.245 -4.814 1.00 0.00 C ATOM 913 C ASN A 61 2.048 -3.953 -5.496 1.00 0.00 C ATOM 914 O ASN A 61 1.153 -3.194 -5.926 1.00 0.00 O ATOM 915 CB ASN A 61 2.203 -6.422 -5.579 1.00 0.00 C ATOM 916 CG ASN A 61 1.889 -6.327 -7.073 1.00 0.00 C ATOM 917 OD1 ASN A 61 0.796 -5.969 -7.483 1.00 0.00 O ATOM 918 ND2 ASN A 61 2.904 -6.666 -7.862 1.00 0.00 N ATOM 919 OXT ASN A 61 3.279 -3.753 -5.571 1.00 0.00 O ATOM 0 H ASN A 61 -0.260 -5.726 -5.665 1.00 0.00 H new ATOM 0 HA ASN A 61 1.925 -5.278 -3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.283 -6.437 -5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.814 -7.359 -5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.794 -6.635 -8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.792 -6.957 -7.454 1.00 0.00 H new TER 926 ASN A 61