USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 434 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 4 HIS : no HE2:sc= -5.33 K(o=-7.5,f=-10!) USER MOD Set 1.2: A 62 ASN : amide:sc= -2.19 K(o=-7.5,f=-10) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.746 K(o=0.045,f=-5.3) USER MOD Set 2.2: A 56 THR OG1 : rot 111:sc= 0.791 USER MOD Set 3.1: A 26 LYS NZ :NH3+ 139:sc= 0.251 (180deg=0) USER MOD Set 3.2: A 53 ASN : amide:sc= -0.105 K(o=0.15,f=-2.5) USER MOD Set 4.1: A 5 ASN : amide:sc= -2.43 K(o=-1.3,f=-22!) USER MOD Set 4.2: A 13 THR OG1 : rot 70:sc= 1.11 USER MOD Set 5.1: A 7 GLN : amide:sc= 0.198 K(o=0.55,f=-3.3!) USER MOD Set 5.2: A 8 SER OG : rot -64:sc= 0.352! USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.27 K(o=-0.27,f=-3.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc=-0.00162 X(o=-0.0016,f=-0.079) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 22 ASN : amide:sc=-0.00973 K(o=-0.0097,f=-0.62) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= -0.644 (180deg=-1.95!) USER MOD Single : A 32 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.66) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 28:sc= 0.113 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 61 ASN : amide:sc= -5.58 K(o=-5.6,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.483 15.363 -0.183 1.00 0.00 N ATOM 2 CA LEU A 1 0.713 13.932 -0.513 1.00 0.00 C ATOM 3 C LEU A 1 -0.272 13.030 0.225 1.00 0.00 C ATOM 4 O LEU A 1 -0.370 13.075 1.451 1.00 0.00 O ATOM 5 CB LEU A 1 2.149 13.569 -0.131 1.00 0.00 C ATOM 6 CG LEU A 1 2.633 12.215 -0.653 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.107 12.281 -1.021 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.389 11.127 0.383 1.00 0.00 C ATOM 0 H1 LEU A 1 1.167 15.953 -0.699 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.483 15.632 -0.459 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.604 15.507 0.840 1.00 0.00 H new ATOM 0 HA LEU A 1 0.558 13.782 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.816 14.346 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.232 13.574 0.956 1.00 0.00 H new ATOM 0 HG LEU A 1 2.066 11.969 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.434 11.309 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.255 13.032 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.690 12.549 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.739 10.170 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.930 11.368 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.323 11.063 0.599 1.00 0.00 H new ATOM 22 N GLU A 2 -1.000 12.214 -0.530 1.00 0.00 N ATOM 23 CA GLU A 2 -1.977 11.301 0.053 1.00 0.00 C ATOM 24 C GLU A 2 -2.075 10.015 -0.761 1.00 0.00 C ATOM 25 O GLU A 2 -1.591 9.946 -1.890 1.00 0.00 O ATOM 26 CB GLU A 2 -3.349 11.974 0.130 1.00 0.00 C ATOM 27 CG GLU A 2 -3.535 12.840 1.365 1.00 0.00 C ATOM 28 CD GLU A 2 -4.111 14.204 1.040 1.00 0.00 C ATOM 29 OE1 GLU A 2 -3.458 14.963 0.294 1.00 0.00 O ATOM 30 OE2 GLU A 2 -5.218 14.513 1.533 1.00 0.00 O ATOM 0 H GLU A 2 -0.932 12.166 -1.547 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.645 11.047 1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.493 12.588 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.122 11.206 0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.195 12.329 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.574 12.965 1.864 1.00 0.00 H new ATOM 37 N CYS A 3 -2.705 8.999 -0.180 1.00 0.00 N ATOM 38 CA CYS A 3 -2.867 7.715 -0.853 1.00 0.00 C ATOM 39 C CYS A 3 -4.285 7.182 -0.676 1.00 0.00 C ATOM 40 O CYS A 3 -5.078 7.738 0.083 1.00 0.00 O ATOM 41 CB CYS A 3 -1.862 6.698 -0.312 1.00 0.00 C ATOM 42 SG CYS A 3 -0.126 7.239 -0.407 1.00 0.00 S ATOM 0 H CYS A 3 -3.111 9.040 0.755 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.683 7.869 -1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.106 6.481 0.728 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.971 5.766 -0.867 1.00 0.00 H new ATOM 47 N HIS A 4 -4.595 6.102 -1.384 1.00 0.00 N ATOM 48 CA HIS A 4 -5.910 5.489 -1.312 1.00 0.00 C ATOM 49 C HIS A 4 -5.991 4.518 -0.139 1.00 0.00 C ATOM 50 O HIS A 4 -4.970 4.127 0.428 1.00 0.00 O ATOM 51 CB HIS A 4 -6.209 4.760 -2.619 1.00 0.00 C ATOM 52 CG HIS A 4 -6.438 5.680 -3.778 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.684 6.160 -4.125 1.00 0.00 N ATOM 54 CD2 HIS A 4 -5.570 6.212 -4.672 1.00 0.00 C ATOM 55 CE1 HIS A 4 -7.573 6.945 -5.182 1.00 0.00 C ATOM 56 NE2 HIS A 4 -6.301 6.994 -5.533 1.00 0.00 N ATOM 0 H HIS A 4 -3.947 5.633 -2.017 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.652 6.272 -1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.378 4.094 -2.853 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.091 4.134 -2.483 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -8.555 5.943 -3.641 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.502 6.051 -4.702 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.385 7.459 -5.675 1.00 0.00 H new ATOM 65 N ASN A 5 -7.210 4.129 0.222 1.00 0.00 N ATOM 66 CA ASN A 5 -7.417 3.201 1.330 1.00 0.00 C ATOM 67 C ASN A 5 -8.403 2.095 0.953 1.00 0.00 C ATOM 68 O ASN A 5 -8.839 1.327 1.812 1.00 0.00 O ATOM 69 CB ASN A 5 -7.925 3.951 2.562 1.00 0.00 C ATOM 70 CG ASN A 5 -9.055 4.895 2.243 1.00 0.00 C ATOM 71 OD1 ASN A 5 -9.469 5.028 1.092 1.00 0.00 O ATOM 72 ND2 ASN A 5 -9.558 5.559 3.270 1.00 0.00 N ATOM 0 H ASN A 5 -8.067 4.440 -0.235 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.457 2.738 1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.259 3.231 3.309 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.102 4.512 3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.324 6.217 3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.180 5.413 4.206 1.00 0.00 H new ATOM 79 N GLN A 6 -8.750 2.013 -0.329 1.00 0.00 N ATOM 80 CA GLN A 6 -9.681 0.995 -0.800 1.00 0.00 C ATOM 81 C GLN A 6 -9.000 -0.367 -0.880 1.00 0.00 C ATOM 82 O GLN A 6 -7.793 -0.456 -1.108 1.00 0.00 O ATOM 83 CB GLN A 6 -10.240 1.377 -2.171 1.00 0.00 C ATOM 84 CG GLN A 6 -11.642 0.847 -2.424 1.00 0.00 C ATOM 85 CD GLN A 6 -11.975 0.764 -3.901 1.00 0.00 C ATOM 86 OE1 GLN A 6 -11.407 1.487 -4.719 1.00 0.00 O ATOM 87 NE2 GLN A 6 -12.902 -0.120 -4.250 1.00 0.00 N ATOM 0 H GLN A 6 -8.401 2.637 -1.057 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.502 0.932 -0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.249 2.463 -2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.572 0.999 -2.945 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.739 -0.142 -1.977 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.366 1.493 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.348 -0.699 -3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.169 -0.220 -5.229 1.00 0.00 H new ATOM 96 N GLN A 7 -9.780 -1.425 -0.692 1.00 0.00 N ATOM 97 CA GLN A 7 -9.252 -2.783 -0.744 1.00 0.00 C ATOM 98 C GLN A 7 -10.367 -3.795 -0.987 1.00 0.00 C ATOM 99 O GLN A 7 -11.272 -3.938 -0.168 1.00 0.00 O ATOM 100 CB GLN A 7 -8.520 -3.118 0.556 1.00 0.00 C ATOM 101 CG GLN A 7 -9.374 -2.930 1.800 1.00 0.00 C ATOM 102 CD GLN A 7 -9.419 -4.170 2.672 1.00 0.00 C ATOM 103 OE1 GLN A 7 -10.267 -5.043 2.485 1.00 0.00 O ATOM 104 NE2 GLN A 7 -8.504 -4.253 3.631 1.00 0.00 N ATOM 0 H GLN A 7 -10.781 -1.369 -0.502 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.549 -2.839 -1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.176 -4.152 0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.633 -2.490 0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.982 -2.096 2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.388 -2.663 1.503 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.820 -3.505 3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.485 -5.064 4.249 1.00 0.00 H new ATOM 113 N SER A 8 -10.285 -4.492 -2.118 1.00 0.00 N ATOM 114 CA SER A 8 -11.276 -5.501 -2.487 1.00 0.00 C ATOM 115 C SER A 8 -12.674 -4.896 -2.620 1.00 0.00 C ATOM 116 O SER A 8 -13.194 -4.753 -3.727 1.00 0.00 O ATOM 117 CB SER A 8 -11.286 -6.645 -1.466 1.00 0.00 C ATOM 118 OG SER A 8 -11.916 -6.257 -0.257 1.00 0.00 O ATOM 0 H SER A 8 -9.536 -4.375 -2.800 1.00 0.00 H new ATOM 0 HA SER A 8 -10.992 -5.899 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.805 -7.506 -1.888 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.263 -6.959 -1.260 1.00 0.00 H new ATOM 0 HG SER A 8 -11.399 -5.539 0.165 1.00 0.00 H new ATOM 124 N SER A 9 -13.280 -4.547 -1.490 1.00 0.00 N ATOM 125 CA SER A 9 -14.618 -3.963 -1.480 1.00 0.00 C ATOM 126 C SER A 9 -14.713 -2.771 -2.430 1.00 0.00 C ATOM 127 O SER A 9 -13.706 -2.144 -2.761 1.00 0.00 O ATOM 128 CB SER A 9 -14.995 -3.529 -0.063 1.00 0.00 C ATOM 129 OG SER A 9 -16.380 -3.238 0.031 1.00 0.00 O ATOM 0 H SER A 9 -12.864 -4.659 -0.565 1.00 0.00 H new ATOM 0 HA SER A 9 -15.317 -4.727 -1.822 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.738 -4.319 0.643 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.416 -2.649 0.217 1.00 0.00 H new ATOM 0 HG SER A 9 -16.595 -2.965 0.947 1.00 0.00 H new ATOM 135 N GLN A 10 -15.933 -2.465 -2.861 1.00 0.00 N ATOM 136 CA GLN A 10 -16.171 -1.350 -3.771 1.00 0.00 C ATOM 137 C GLN A 10 -16.108 -0.019 -3.026 1.00 0.00 C ATOM 138 O GLN A 10 -15.720 0.030 -1.859 1.00 0.00 O ATOM 139 CB GLN A 10 -17.533 -1.509 -4.450 1.00 0.00 C ATOM 140 CG GLN A 10 -17.457 -2.188 -5.808 1.00 0.00 C ATOM 141 CD GLN A 10 -17.962 -1.303 -6.932 1.00 0.00 C ATOM 142 OE1 GLN A 10 -19.061 -0.752 -6.858 1.00 0.00 O ATOM 143 NE2 GLN A 10 -17.160 -1.163 -7.981 1.00 0.00 N ATOM 0 H GLN A 10 -16.775 -2.976 -2.594 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.390 -1.354 -4.532 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -18.189 -2.087 -3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.988 -0.526 -4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -16.424 -2.472 -6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -18.042 -3.107 -5.784 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -16.258 -1.638 -8.000 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -17.446 -0.580 -8.768 1.00 0.00 H new ATOM 152 N THR A 11 -16.491 1.057 -3.708 1.00 0.00 N ATOM 153 CA THR A 11 -16.480 2.388 -3.112 1.00 0.00 C ATOM 154 C THR A 11 -15.058 2.809 -2.743 1.00 0.00 C ATOM 155 O THR A 11 -14.588 2.535 -1.639 1.00 0.00 O ATOM 156 CB THR A 11 -17.379 2.419 -1.875 1.00 0.00 C ATOM 157 OG1 THR A 11 -18.723 2.143 -2.227 1.00 0.00 O ATOM 158 CG2 THR A 11 -17.360 3.748 -1.147 1.00 0.00 C ATOM 0 H THR A 11 -16.813 1.032 -4.675 1.00 0.00 H new ATOM 0 HA THR A 11 -16.864 3.095 -3.847 1.00 0.00 H new ATOM 0 HB THR A 11 -16.977 1.655 -1.209 1.00 0.00 H new ATOM 0 HG1 THR A 11 -19.283 2.165 -1.423 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.020 3.698 -0.281 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.345 3.968 -0.818 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.702 4.536 -1.818 1.00 0.00 H new ATOM 166 N PRO A 12 -14.351 3.483 -3.668 1.00 0.00 N ATOM 167 CA PRO A 12 -12.978 3.942 -3.435 1.00 0.00 C ATOM 168 C PRO A 12 -12.915 5.110 -2.458 1.00 0.00 C ATOM 169 O PRO A 12 -13.895 5.831 -2.271 1.00 0.00 O ATOM 170 CB PRO A 12 -12.512 4.381 -4.823 1.00 0.00 C ATOM 171 CG PRO A 12 -13.763 4.767 -5.534 1.00 0.00 C ATOM 172 CD PRO A 12 -14.837 3.852 -5.011 1.00 0.00 C ATOM 0 HA PRO A 12 -12.358 3.165 -2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.816 5.218 -4.761 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.994 3.574 -5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.013 5.811 -5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.648 4.658 -6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -15.804 4.353 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.963 2.976 -5.647 1.00 0.00 H new ATOM 180 N THR A 13 -11.754 5.294 -1.837 1.00 0.00 N ATOM 181 CA THR A 13 -11.561 6.377 -0.880 1.00 0.00 C ATOM 182 C THR A 13 -10.107 6.836 -0.867 1.00 0.00 C ATOM 183 O THR A 13 -9.255 6.249 -1.534 1.00 0.00 O ATOM 184 CB THR A 13 -11.983 5.930 0.520 1.00 0.00 C ATOM 185 OG1 THR A 13 -11.865 4.524 0.655 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.410 6.304 0.862 1.00 0.00 C ATOM 0 H THR A 13 -10.932 4.707 -1.980 1.00 0.00 H new ATOM 0 HA THR A 13 -12.185 7.217 -1.186 1.00 0.00 H new ATOM 0 HB THR A 13 -11.312 6.451 1.204 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.917 4.275 0.665 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.646 5.958 1.868 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.524 7.387 0.815 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.089 5.837 0.149 1.00 0.00 H new ATOM 194 N THR A 14 -9.828 7.889 -0.106 1.00 0.00 N ATOM 195 CA THR A 14 -8.475 8.425 -0.011 1.00 0.00 C ATOM 196 C THR A 14 -8.175 8.912 1.404 1.00 0.00 C ATOM 197 O THR A 14 -9.024 9.525 2.053 1.00 0.00 O ATOM 198 CB THR A 14 -8.289 9.571 -1.007 1.00 0.00 C ATOM 199 OG1 THR A 14 -9.501 10.281 -1.186 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.822 9.109 -2.370 1.00 0.00 C ATOM 0 H THR A 14 -10.520 8.388 0.453 1.00 0.00 H new ATOM 0 HA THR A 14 -7.777 7.623 -0.252 1.00 0.00 H new ATOM 0 HB THR A 14 -7.518 10.208 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.361 11.011 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.710 9.971 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.863 8.600 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.556 8.423 -2.793 1.00 0.00 H new ATOM 208 N THR A 15 -6.963 8.637 1.874 1.00 0.00 N ATOM 209 CA THR A 15 -6.550 9.047 3.211 1.00 0.00 C ATOM 210 C THR A 15 -5.028 9.061 3.328 1.00 0.00 C ATOM 211 O THR A 15 -4.386 8.010 3.335 1.00 0.00 O ATOM 212 CB THR A 15 -7.145 8.110 4.263 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.850 8.571 5.570 1.00 0.00 O ATOM 214 CG2 THR A 15 -6.642 6.687 4.151 1.00 0.00 C ATOM 0 H THR A 15 -6.249 8.132 1.349 1.00 0.00 H new ATOM 0 HA THR A 15 -6.921 10.057 3.385 1.00 0.00 H new ATOM 0 HB THR A 15 -8.219 8.113 4.078 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.240 7.959 6.229 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.104 6.076 4.927 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.900 6.286 3.171 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.559 6.673 4.275 1.00 0.00 H new ATOM 222 N GLY A 16 -4.456 10.258 3.415 1.00 0.00 N ATOM 223 CA GLY A 16 -3.023 10.388 3.524 1.00 0.00 C ATOM 224 C GLY A 16 -2.518 10.139 4.932 1.00 0.00 C ATOM 225 O GLY A 16 -3.306 9.964 5.860 1.00 0.00 O ATOM 0 H GLY A 16 -4.966 11.141 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.546 9.685 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.728 11.389 3.208 1.00 0.00 H new ATOM 229 N CYS A 17 -1.198 10.125 5.089 1.00 0.00 N ATOM 230 CA CYS A 17 -0.587 9.896 6.394 1.00 0.00 C ATOM 231 C CYS A 17 -0.014 11.191 6.961 1.00 0.00 C ATOM 232 O CYS A 17 -0.245 12.274 6.422 1.00 0.00 O ATOM 233 CB CYS A 17 0.518 8.844 6.290 1.00 0.00 C ATOM 234 SG CYS A 17 0.059 7.372 5.318 1.00 0.00 S ATOM 0 H CYS A 17 -0.532 10.269 4.330 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.363 9.533 7.068 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.399 9.302 5.841 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.800 8.529 7.295 1.00 0.00 H new ATOM 239 N SER A 18 0.734 11.070 8.052 1.00 0.00 N ATOM 240 CA SER A 18 1.344 12.228 8.694 1.00 0.00 C ATOM 241 C SER A 18 2.816 12.346 8.314 1.00 0.00 C ATOM 242 O SER A 18 3.370 11.466 7.655 1.00 0.00 O ATOM 243 CB SER A 18 1.206 12.125 10.215 1.00 0.00 C ATOM 244 OG SER A 18 1.461 13.373 10.836 1.00 0.00 O ATOM 0 H SER A 18 0.933 10.181 8.511 1.00 0.00 H new ATOM 0 HA SER A 18 0.824 13.121 8.348 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.202 11.787 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.901 11.377 10.596 1.00 0.00 H new ATOM 0 HG SER A 18 1.365 13.281 11.807 1.00 0.00 H new ATOM 250 N GLY A 19 3.445 13.441 8.730 1.00 0.00 N ATOM 251 CA GLY A 19 4.846 13.659 8.424 1.00 0.00 C ATOM 252 C GLY A 19 5.715 12.463 8.765 1.00 0.00 C ATOM 253 O GLY A 19 6.771 12.263 8.165 1.00 0.00 O ATOM 0 H GLY A 19 3.007 14.183 9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.950 13.888 7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.202 14.530 8.974 1.00 0.00 H new ATOM 257 N GLY A 20 5.271 11.670 9.736 1.00 0.00 N ATOM 258 CA GLY A 20 6.024 10.500 10.145 1.00 0.00 C ATOM 259 C GLY A 20 6.395 9.603 8.980 1.00 0.00 C ATOM 260 O GLY A 20 7.478 9.018 8.957 1.00 0.00 O ATOM 0 H GLY A 20 4.401 11.818 10.247 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.933 10.819 10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.437 9.929 10.865 1.00 0.00 H new ATOM 264 N GLU A 21 5.494 9.495 8.011 1.00 0.00 N ATOM 265 CA GLU A 21 5.728 8.664 6.837 1.00 0.00 C ATOM 266 C GLU A 21 5.527 9.465 5.554 1.00 0.00 C ATOM 267 O GLU A 21 5.121 10.627 5.595 1.00 0.00 O ATOM 268 CB GLU A 21 4.792 7.453 6.847 1.00 0.00 C ATOM 269 CG GLU A 21 5.438 6.181 6.321 1.00 0.00 C ATOM 270 CD GLU A 21 5.634 5.135 7.402 1.00 0.00 C ATOM 271 OE1 GLU A 21 4.698 4.344 7.640 1.00 0.00 O ATOM 272 OE2 GLU A 21 6.725 5.107 8.010 1.00 0.00 O ATOM 0 H GLU A 21 4.593 9.973 8.015 1.00 0.00 H new ATOM 0 HA GLU A 21 6.761 8.317 6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.446 7.280 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.912 7.679 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.818 5.765 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.403 6.425 5.878 1.00 0.00 H new ATOM 279 N ASN A 22 5.811 8.838 4.418 1.00 0.00 N ATOM 280 CA ASN A 22 5.661 9.495 3.125 1.00 0.00 C ATOM 281 C ASN A 22 5.271 8.492 2.045 1.00 0.00 C ATOM 282 O ASN A 22 4.358 8.735 1.257 1.00 0.00 O ATOM 283 CB ASN A 22 6.959 10.204 2.734 1.00 0.00 C ATOM 284 CG ASN A 22 6.728 11.333 1.748 1.00 0.00 C ATOM 285 OD1 ASN A 22 6.668 11.112 0.538 1.00 0.00 O ATOM 286 ND2 ASN A 22 6.598 12.550 2.261 1.00 0.00 N ATOM 0 H ASN A 22 6.146 7.876 4.366 1.00 0.00 H new ATOM 0 HA ASN A 22 4.864 10.234 3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.437 10.600 3.630 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.648 9.480 2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.441 13.349 1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.655 12.687 3.270 1.00 0.00 H new ATOM 293 N ASN A 23 5.971 7.366 2.018 1.00 0.00 N ATOM 294 CA ASN A 23 5.703 6.321 1.037 1.00 0.00 C ATOM 295 C ASN A 23 4.530 5.451 1.476 1.00 0.00 C ATOM 296 O ASN A 23 4.296 5.263 2.670 1.00 0.00 O ATOM 297 CB ASN A 23 6.946 5.454 0.830 1.00 0.00 C ATOM 298 CG ASN A 23 8.182 6.278 0.526 1.00 0.00 C ATOM 299 OD1 ASN A 23 8.091 7.469 0.232 1.00 0.00 O ATOM 300 ND2 ASN A 23 9.346 5.643 0.596 1.00 0.00 N ATOM 0 H ASN A 23 6.730 7.152 2.665 1.00 0.00 H new ATOM 0 HA ASN A 23 5.443 6.802 0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.122 4.857 1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.767 4.757 0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.213 6.144 0.402 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.373 4.654 0.844 1.00 0.00 H new ATOM 307 N CYS A 24 3.795 4.921 0.503 1.00 0.00 N ATOM 308 CA CYS A 24 2.647 4.070 0.792 1.00 0.00 C ATOM 309 C CYS A 24 2.866 2.660 0.254 1.00 0.00 C ATOM 310 O CYS A 24 3.019 2.458 -0.951 1.00 0.00 O ATOM 311 CB CYS A 24 1.376 4.668 0.190 1.00 0.00 C ATOM 312 SG CYS A 24 0.789 6.163 1.050 1.00 0.00 S ATOM 0 H CYS A 24 3.974 5.066 -0.491 1.00 0.00 H new ATOM 0 HA CYS A 24 2.533 4.012 1.875 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.560 4.911 -0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.587 3.916 0.209 1.00 0.00 H new ATOM 317 N TYR A 25 2.897 1.690 1.161 1.00 0.00 N ATOM 318 CA TYR A 25 3.112 0.308 0.802 1.00 0.00 C ATOM 319 C TYR A 25 1.820 -0.379 0.380 1.00 0.00 C ATOM 320 O TYR A 25 0.748 -0.095 0.912 1.00 0.00 O ATOM 321 CB TYR A 25 3.729 -0.444 1.982 1.00 0.00 C ATOM 322 CG TYR A 25 2.752 -0.728 3.105 1.00 0.00 C ATOM 323 CD1 TYR A 25 2.450 0.249 4.046 1.00 0.00 C ATOM 324 CD2 TYR A 25 2.132 -1.970 3.225 1.00 0.00 C ATOM 325 CE1 TYR A 25 1.561 0.000 5.074 1.00 0.00 C ATOM 326 CE2 TYR A 25 1.242 -2.224 4.252 1.00 0.00 C ATOM 327 CZ TYR A 25 0.960 -1.237 5.173 1.00 0.00 C ATOM 328 OH TYR A 25 0.074 -1.487 6.196 1.00 0.00 O ATOM 0 H TYR A 25 2.773 1.847 2.161 1.00 0.00 H new ATOM 0 HA TYR A 25 3.792 0.292 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.141 -1.388 1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.562 0.138 2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.918 1.219 3.973 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.350 -2.745 2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.338 0.771 5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.769 -3.192 4.333 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.261 -2.405 6.122 1.00 0.00 H new ATOM 338 N LYS A 26 1.941 -1.313 -0.556 1.00 0.00 N ATOM 339 CA LYS A 26 0.800 -2.079 -1.024 1.00 0.00 C ATOM 340 C LYS A 26 1.041 -3.548 -0.716 1.00 0.00 C ATOM 341 O LYS A 26 2.174 -4.020 -0.795 1.00 0.00 O ATOM 342 CB LYS A 26 0.584 -1.866 -2.525 1.00 0.00 C ATOM 343 CG LYS A 26 -0.803 -2.268 -3.002 1.00 0.00 C ATOM 344 CD LYS A 26 -0.776 -2.788 -4.431 1.00 0.00 C ATOM 345 CE LYS A 26 -0.218 -1.752 -5.396 1.00 0.00 C ATOM 346 NZ LYS A 26 0.900 -2.301 -6.211 1.00 0.00 N ATOM 0 H LYS A 26 2.824 -1.556 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.102 -1.743 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.751 -0.815 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.329 -2.439 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.206 -3.036 -2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.473 -1.410 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.170 -3.693 -4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.785 -3.064 -4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.013 -1.405 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.132 -0.885 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.810 -1.968 -7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.807 -1.979 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.865 -3.340 -6.193 1.00 0.00 H new ATOM 360 N LYS A 27 0.001 -4.264 -0.319 1.00 0.00 N ATOM 361 CA LYS A 27 0.153 -5.656 0.033 1.00 0.00 C ATOM 362 C LYS A 27 -1.100 -6.461 -0.304 1.00 0.00 C ATOM 363 O LYS A 27 -2.202 -6.111 0.118 1.00 0.00 O ATOM 364 CB LYS A 27 0.441 -5.752 1.524 1.00 0.00 C ATOM 365 CG LYS A 27 -0.340 -4.759 2.368 1.00 0.00 C ATOM 366 CD LYS A 27 -0.480 -5.240 3.803 1.00 0.00 C ATOM 367 CE LYS A 27 -1.334 -6.495 3.890 1.00 0.00 C ATOM 368 NZ LYS A 27 -0.503 -7.728 3.985 1.00 0.00 N ATOM 0 H LYS A 27 -0.949 -3.902 -0.235 1.00 0.00 H new ATOM 0 HA LYS A 27 0.978 -6.074 -0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.212 -6.762 1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.507 -5.595 1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.163 -3.792 2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.329 -4.610 1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.508 -5.441 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.926 -4.452 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.987 -6.430 4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.977 -6.558 3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.806 -8.408 3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.497 -7.485 3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.619 -8.153 4.927 1.00 0.00 H new ATOM 382 N GLU A 28 -0.926 -7.545 -1.056 1.00 0.00 N ATOM 383 CA GLU A 28 -2.043 -8.396 -1.430 1.00 0.00 C ATOM 384 C GLU A 28 -1.904 -9.776 -0.795 1.00 0.00 C ATOM 385 O GLU A 28 -0.823 -10.365 -0.800 1.00 0.00 O ATOM 386 CB GLU A 28 -2.121 -8.530 -2.949 1.00 0.00 C ATOM 387 CG GLU A 28 -0.768 -8.647 -3.628 1.00 0.00 C ATOM 388 CD GLU A 28 -0.815 -9.521 -4.867 1.00 0.00 C ATOM 389 OE1 GLU A 28 -1.403 -9.086 -5.879 1.00 0.00 O ATOM 390 OE2 GLU A 28 -0.263 -10.640 -4.825 1.00 0.00 O ATOM 0 H GLU A 28 -0.022 -7.851 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.961 -7.934 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.717 -9.408 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.646 -7.664 -3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.415 -7.653 -3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.046 -9.059 -2.923 1.00 0.00 H new ATOM 397 N TRP A 29 -3.003 -10.289 -0.253 1.00 0.00 N ATOM 398 CA TRP A 29 -2.998 -11.605 0.378 1.00 0.00 C ATOM 399 C TRP A 29 -4.104 -12.483 -0.199 1.00 0.00 C ATOM 400 O TRP A 29 -5.288 -12.159 -0.095 1.00 0.00 O ATOM 401 CB TRP A 29 -3.149 -11.481 1.899 1.00 0.00 C ATOM 402 CG TRP A 29 -4.521 -11.098 2.353 1.00 0.00 C ATOM 403 CD1 TRP A 29 -5.396 -11.900 3.006 1.00 0.00 C ATOM 404 CD2 TRP A 29 -5.168 -9.828 2.205 1.00 0.00 C ATOM 405 NE1 TRP A 29 -6.560 -11.222 3.270 1.00 0.00 N ATOM 406 CE2 TRP A 29 -6.445 -9.944 2.789 1.00 0.00 C ATOM 407 CE3 TRP A 29 -4.798 -8.605 1.636 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -7.350 -8.887 2.820 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -5.699 -7.556 1.667 1.00 0.00 C ATOM 410 CH2 TRP A 29 -6.961 -7.702 2.255 1.00 0.00 C ATOM 0 H TRP A 29 -3.906 -9.816 -0.237 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.038 -12.077 0.168 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.880 -12.433 2.358 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.438 -10.739 2.263 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.205 -12.927 3.280 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.376 -11.606 3.746 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.826 -8.482 1.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.324 -8.998 3.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.424 -6.607 1.230 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.641 -6.863 2.263 1.00 0.00 H new ATOM 421 N ARG A 30 -3.708 -13.591 -0.815 1.00 0.00 N ATOM 422 CA ARG A 30 -4.657 -14.515 -1.419 1.00 0.00 C ATOM 423 C ARG A 30 -5.079 -15.597 -0.431 1.00 0.00 C ATOM 424 O ARG A 30 -4.483 -15.747 0.636 1.00 0.00 O ATOM 425 CB ARG A 30 -4.049 -15.156 -2.668 1.00 0.00 C ATOM 426 CG ARG A 30 -2.593 -15.566 -2.503 1.00 0.00 C ATOM 427 CD ARG A 30 -1.650 -14.474 -2.985 1.00 0.00 C ATOM 428 NE ARG A 30 -1.326 -14.615 -4.403 1.00 0.00 N ATOM 429 CZ ARG A 30 -0.405 -15.452 -4.875 1.00 0.00 C ATOM 430 NH1 ARG A 30 0.282 -16.229 -4.047 1.00 0.00 N ATOM 431 NH2 ARG A 30 -0.172 -15.514 -6.179 1.00 0.00 N ATOM 0 H ARG A 30 -2.732 -13.871 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.544 -13.948 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.636 -16.035 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.127 -14.455 -3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.392 -15.785 -1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.406 -16.483 -3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.106 -13.499 -2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.732 -14.504 -2.399 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.836 -14.037 -5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.105 -16.187 -3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.987 -16.869 -4.414 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.698 -14.920 -6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.534 -16.155 -6.541 1.00 0.00 H new ATOM 445 N ASP A 31 -6.111 -16.349 -0.799 1.00 0.00 N ATOM 446 CA ASP A 31 -6.620 -17.421 0.050 1.00 0.00 C ATOM 447 C ASP A 31 -7.423 -18.425 -0.769 1.00 0.00 C ATOM 448 O ASP A 31 -8.567 -18.163 -1.144 1.00 0.00 O ATOM 449 CB ASP A 31 -7.488 -16.845 1.169 1.00 0.00 C ATOM 450 CG ASP A 31 -8.605 -15.967 0.639 1.00 0.00 C ATOM 451 OD1 ASP A 31 -8.376 -14.750 0.474 1.00 0.00 O ATOM 452 OD2 ASP A 31 -9.709 -16.495 0.389 1.00 0.00 O ATOM 0 H ASP A 31 -6.612 -16.236 -1.680 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.768 -17.938 0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.916 -17.662 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.863 -16.264 1.847 1.00 0.00 H new ATOM 457 N ASN A 32 -6.817 -19.576 -1.045 1.00 0.00 N ATOM 458 CA ASN A 32 -7.472 -20.625 -1.819 1.00 0.00 C ATOM 459 C ASN A 32 -7.649 -20.203 -3.277 1.00 0.00 C ATOM 460 O ASN A 32 -6.868 -20.597 -4.144 1.00 0.00 O ATOM 461 CB ASN A 32 -8.829 -20.981 -1.203 1.00 0.00 C ATOM 462 CG ASN A 32 -8.856 -22.387 -0.635 1.00 0.00 C ATOM 463 OD1 ASN A 32 -8.251 -23.304 -1.189 1.00 0.00 O ATOM 464 ND2 ASN A 32 -9.562 -22.563 0.476 1.00 0.00 N ATOM 0 H ASN A 32 -5.870 -19.806 -0.743 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.833 -21.508 -1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.064 -20.268 -0.412 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.606 -20.884 -1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.618 -23.487 0.904 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.048 -21.774 0.902 1.00 0.00 H new ATOM 471 N ARG A 33 -8.681 -19.407 -3.543 1.00 0.00 N ATOM 472 CA ARG A 33 -8.958 -18.943 -4.898 1.00 0.00 C ATOM 473 C ARG A 33 -9.020 -17.420 -4.957 1.00 0.00 C ATOM 474 O ARG A 33 -8.391 -16.796 -5.813 1.00 0.00 O ATOM 475 CB ARG A 33 -10.274 -19.538 -5.411 1.00 0.00 C ATOM 476 CG ARG A 33 -11.207 -20.021 -4.310 1.00 0.00 C ATOM 477 CD ARG A 33 -12.499 -20.585 -4.879 1.00 0.00 C ATOM 478 NE ARG A 33 -13.671 -19.847 -4.412 1.00 0.00 N ATOM 479 CZ ARG A 33 -14.860 -19.890 -5.007 1.00 0.00 C ATOM 480 NH1 ARG A 33 -15.041 -20.633 -6.092 1.00 0.00 N ATOM 481 NH2 ARG A 33 -15.873 -19.188 -4.517 1.00 0.00 N ATOM 0 H ARG A 33 -9.338 -19.071 -2.839 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.142 -19.279 -5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.792 -18.787 -6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.049 -20.373 -6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.706 -20.786 -3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.435 -19.194 -3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.460 -20.552 -5.968 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.593 -21.633 -4.595 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.571 -19.265 -3.581 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.266 -21.175 -6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.955 -20.662 -6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.740 -18.615 -3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.785 -19.221 -4.974 1.00 0.00 H new ATOM 495 N GLY A 34 -9.786 -16.825 -4.048 1.00 0.00 N ATOM 496 CA GLY A 34 -9.917 -15.379 -4.023 1.00 0.00 C ATOM 497 C GLY A 34 -8.740 -14.700 -3.353 1.00 0.00 C ATOM 498 O GLY A 34 -7.927 -15.351 -2.698 1.00 0.00 O ATOM 0 H GLY A 34 -10.317 -17.317 -3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.013 -15.009 -5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.834 -15.110 -3.499 1.00 0.00 H new ATOM 502 N TYR A 35 -8.650 -13.384 -3.518 1.00 0.00 N ATOM 503 CA TYR A 35 -7.563 -12.613 -2.925 1.00 0.00 C ATOM 504 C TYR A 35 -7.928 -11.134 -2.832 1.00 0.00 C ATOM 505 O TYR A 35 -8.762 -10.641 -3.592 1.00 0.00 O ATOM 506 CB TYR A 35 -6.284 -12.782 -3.746 1.00 0.00 C ATOM 507 CG TYR A 35 -6.441 -12.408 -5.201 1.00 0.00 C ATOM 508 CD1 TYR A 35 -6.394 -11.080 -5.606 1.00 0.00 C ATOM 509 CD2 TYR A 35 -6.637 -13.382 -6.171 1.00 0.00 C ATOM 510 CE1 TYR A 35 -6.537 -10.734 -6.937 1.00 0.00 C ATOM 511 CE2 TYR A 35 -6.781 -13.044 -7.503 1.00 0.00 C ATOM 512 CZ TYR A 35 -6.731 -11.720 -7.881 1.00 0.00 C ATOM 513 OH TYR A 35 -6.873 -11.379 -9.207 1.00 0.00 O ATOM 0 H TYR A 35 -9.316 -12.830 -4.057 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.394 -12.990 -1.916 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.497 -12.170 -3.306 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.955 -13.819 -3.680 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.243 -10.305 -4.869 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.678 -14.421 -5.879 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.497 -9.697 -7.236 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.932 -13.814 -8.245 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.001 -12.190 -9.742 1.00 0.00 H new ATOM 523 N ARG A 36 -7.295 -10.434 -1.897 1.00 0.00 N ATOM 524 CA ARG A 36 -7.547 -9.010 -1.703 1.00 0.00 C ATOM 525 C ARG A 36 -6.234 -8.240 -1.611 1.00 0.00 C ATOM 526 O ARG A 36 -5.156 -8.818 -1.748 1.00 0.00 O ATOM 527 CB ARG A 36 -8.375 -8.786 -0.438 1.00 0.00 C ATOM 528 CG ARG A 36 -9.722 -9.491 -0.461 1.00 0.00 C ATOM 529 CD ARG A 36 -10.334 -9.569 0.928 1.00 0.00 C ATOM 530 NE ARG A 36 -10.906 -8.292 1.348 1.00 0.00 N ATOM 531 CZ ARG A 36 -11.789 -8.164 2.336 1.00 0.00 C ATOM 532 NH1 ARG A 36 -12.202 -9.231 3.008 1.00 0.00 N ATOM 533 NH2 ARG A 36 -12.260 -6.966 2.654 1.00 0.00 N ATOM 0 H ARG A 36 -6.603 -10.830 -1.261 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.107 -8.641 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.807 -9.134 0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.536 -7.716 -0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.400 -8.960 -1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.601 -10.497 -0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.110 -10.335 0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.571 -9.877 1.643 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.611 -7.449 0.855 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.843 -10.155 2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.879 -9.127 3.764 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.946 -6.142 2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.937 -6.868 3.411 1.00 0.00 H new ATOM 547 N THR A 37 -6.326 -6.934 -1.379 1.00 0.00 N ATOM 548 CA THR A 37 -5.137 -6.096 -1.272 1.00 0.00 C ATOM 549 C THR A 37 -5.429 -4.811 -0.504 1.00 0.00 C ATOM 550 O THR A 37 -6.358 -4.075 -0.836 1.00 0.00 O ATOM 551 CB THR A 37 -4.600 -5.760 -2.664 1.00 0.00 C ATOM 552 OG1 THR A 37 -3.428 -4.971 -2.572 1.00 0.00 O ATOM 553 CG2 THR A 37 -5.595 -5.007 -3.521 1.00 0.00 C ATOM 0 H THR A 37 -7.208 -6.435 -1.262 1.00 0.00 H new ATOM 0 HA THR A 37 -4.383 -6.657 -0.720 1.00 0.00 H new ATOM 0 HB THR A 37 -4.392 -6.721 -3.135 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.964 -5.171 -1.732 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.152 -4.799 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.493 -5.611 -3.652 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.857 -4.068 -3.034 1.00 0.00 H new ATOM 561 N GLU A 38 -4.624 -4.546 0.520 1.00 0.00 N ATOM 562 CA GLU A 38 -4.786 -3.351 1.333 1.00 0.00 C ATOM 563 C GLU A 38 -3.635 -2.381 1.093 1.00 0.00 C ATOM 564 O GLU A 38 -2.693 -2.689 0.360 1.00 0.00 O ATOM 565 CB GLU A 38 -4.856 -3.718 2.818 1.00 0.00 C ATOM 566 CG GLU A 38 -4.005 -4.918 3.203 1.00 0.00 C ATOM 567 CD GLU A 38 -4.195 -5.323 4.652 1.00 0.00 C ATOM 568 OE1 GLU A 38 -4.335 -4.423 5.506 1.00 0.00 O ATOM 569 OE2 GLU A 38 -4.202 -6.541 4.931 1.00 0.00 O ATOM 0 H GLU A 38 -3.851 -5.147 0.805 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.720 -2.868 1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.540 -2.858 3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.894 -3.923 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.256 -5.760 2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.954 -4.685 3.029 1.00 0.00 H new ATOM 576 N ARG A 39 -3.714 -1.207 1.712 1.00 0.00 N ATOM 577 CA ARG A 39 -2.677 -0.195 1.561 1.00 0.00 C ATOM 578 C ARG A 39 -2.349 0.461 2.897 1.00 0.00 C ATOM 579 O ARG A 39 -2.939 0.129 3.926 1.00 0.00 O ATOM 580 CB ARG A 39 -3.119 0.867 0.553 1.00 0.00 C ATOM 581 CG ARG A 39 -3.020 0.407 -0.893 1.00 0.00 C ATOM 582 CD ARG A 39 -4.141 0.987 -1.740 1.00 0.00 C ATOM 583 NE ARG A 39 -4.187 0.387 -3.071 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.584 -0.862 -3.307 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.969 -1.645 -2.306 1.00 0.00 N ATOM 586 NH2 ARG A 39 -4.596 -1.329 -4.548 1.00 0.00 N ATOM 0 H ARG A 39 -4.485 -0.934 2.322 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.777 -0.688 1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.149 1.152 0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.507 1.759 0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.057 0.708 -1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.058 -0.682 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.095 0.828 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.005 2.065 -1.832 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.898 0.958 -3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.962 -1.291 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.272 -2.601 -2.494 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.301 -0.732 -5.321 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.900 -2.286 -4.730 1.00 0.00 H new ATOM 600 N GLY A 40 -1.401 1.392 2.874 1.00 0.00 N ATOM 601 CA GLY A 40 -1.007 2.083 4.087 1.00 0.00 C ATOM 602 C GLY A 40 0.324 2.794 3.937 1.00 0.00 C ATOM 603 O GLY A 40 0.798 3.006 2.822 1.00 0.00 O ATOM 0 H GLY A 40 -0.898 1.680 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.775 2.808 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.944 1.367 4.906 1.00 0.00 H new ATOM 607 N CYS A 41 0.929 3.161 5.062 1.00 0.00 N ATOM 608 CA CYS A 41 2.213 3.852 5.049 1.00 0.00 C ATOM 609 C CYS A 41 3.304 2.986 5.671 1.00 0.00 C ATOM 610 O CYS A 41 3.070 2.289 6.659 1.00 0.00 O ATOM 611 CB CYS A 41 2.108 5.183 5.796 1.00 0.00 C ATOM 612 SG CYS A 41 1.843 6.622 4.709 1.00 0.00 S ATOM 0 H CYS A 41 0.551 2.991 5.994 1.00 0.00 H new ATOM 0 HA CYS A 41 2.481 4.049 4.011 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.287 5.124 6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 41 3.020 5.338 6.372 1.00 0.00 H new ATOM 617 N GLY A 42 4.496 3.032 5.084 1.00 0.00 N ATOM 618 CA GLY A 42 5.604 2.245 5.590 1.00 0.00 C ATOM 619 C GLY A 42 5.822 0.976 4.788 1.00 0.00 C ATOM 620 O GLY A 42 5.029 0.041 4.871 1.00 0.00 O ATOM 0 H GLY A 42 4.714 3.601 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.513 2.846 5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.417 1.986 6.632 1.00 0.00 H new ATOM 624 N CYS A 43 6.896 0.949 4.006 1.00 0.00 N ATOM 625 CA CYS A 43 7.212 -0.212 3.180 1.00 0.00 C ATOM 626 C CYS A 43 8.238 -1.115 3.866 1.00 0.00 C ATOM 627 O CYS A 43 9.429 -0.807 3.885 1.00 0.00 O ATOM 628 CB CYS A 43 7.746 0.240 1.820 1.00 0.00 C ATOM 629 SG CYS A 43 7.876 -1.095 0.589 1.00 0.00 S ATOM 0 H CYS A 43 7.562 1.717 3.926 1.00 0.00 H new ATOM 0 HA CYS A 43 6.295 -0.783 3.037 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.093 1.020 1.427 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.730 0.688 1.959 1.00 0.00 H new ATOM 634 N PRO A 44 7.789 -2.246 4.443 1.00 0.00 N ATOM 635 CA PRO A 44 8.678 -3.188 5.128 1.00 0.00 C ATOM 636 C PRO A 44 9.430 -4.088 4.153 1.00 0.00 C ATOM 637 O PRO A 44 9.444 -3.839 2.947 1.00 0.00 O ATOM 638 CB PRO A 44 7.711 -4.009 5.977 1.00 0.00 C ATOM 639 CG PRO A 44 6.449 -4.024 5.188 1.00 0.00 C ATOM 640 CD PRO A 44 6.383 -2.699 4.473 1.00 0.00 C ATOM 0 HA PRO A 44 9.456 -2.683 5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.087 -5.018 6.144 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.561 -3.558 6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.444 -4.850 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.585 -4.158 5.839 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.976 -2.806 3.468 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.745 -1.990 5.001 1.00 0.00 H new ATOM 648 N SER A 45 10.053 -5.136 4.682 1.00 0.00 N ATOM 649 CA SER A 45 10.806 -6.075 3.859 1.00 0.00 C ATOM 650 C SER A 45 10.539 -7.513 4.294 1.00 0.00 C ATOM 651 O SER A 45 11.422 -8.187 4.827 1.00 0.00 O ATOM 652 CB SER A 45 12.303 -5.771 3.940 1.00 0.00 C ATOM 653 OG SER A 45 12.602 -4.520 3.346 1.00 0.00 O ATOM 0 H SER A 45 10.051 -5.356 5.678 1.00 0.00 H new ATOM 0 HA SER A 45 10.477 -5.961 2.826 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.621 -5.767 4.983 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.865 -6.559 3.438 1.00 0.00 H new ATOM 0 HG SER A 45 13.565 -4.348 3.412 1.00 0.00 H new ATOM 659 N VAL A 46 9.314 -7.976 4.067 1.00 0.00 N ATOM 660 CA VAL A 46 8.925 -9.328 4.436 1.00 0.00 C ATOM 661 C VAL A 46 9.412 -10.344 3.408 1.00 0.00 C ATOM 662 O VAL A 46 10.046 -9.985 2.416 1.00 0.00 O ATOM 663 CB VAL A 46 7.397 -9.446 4.572 1.00 0.00 C ATOM 664 CG1 VAL A 46 6.922 -8.792 5.861 1.00 0.00 C ATOM 665 CG2 VAL A 46 6.700 -8.835 3.366 1.00 0.00 C ATOM 0 H VAL A 46 8.573 -7.431 3.627 1.00 0.00 H new ATOM 0 HA VAL A 46 9.391 -9.542 5.398 1.00 0.00 H new ATOM 0 HB VAL A 46 7.138 -10.504 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.839 -8.886 5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.391 -9.284 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.195 -7.737 5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.620 -8.929 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.966 -7.781 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.014 -9.356 2.462 1.00 0.00 H new ATOM 675 N LYS A 47 9.109 -11.615 3.653 1.00 0.00 N ATOM 676 CA LYS A 47 9.514 -12.687 2.751 1.00 0.00 C ATOM 677 C LYS A 47 8.532 -12.821 1.590 1.00 0.00 C ATOM 678 O LYS A 47 7.587 -12.042 1.471 1.00 0.00 O ATOM 679 CB LYS A 47 9.607 -14.012 3.511 1.00 0.00 C ATOM 680 CG LYS A 47 8.333 -14.376 4.256 1.00 0.00 C ATOM 681 CD LYS A 47 8.016 -15.857 4.131 1.00 0.00 C ATOM 682 CE LYS A 47 6.526 -16.122 4.262 1.00 0.00 C ATOM 683 NZ LYS A 47 6.219 -17.578 4.271 1.00 0.00 N ATOM 0 H LYS A 47 8.584 -11.928 4.470 1.00 0.00 H new ATOM 0 HA LYS A 47 10.495 -12.438 2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.847 -14.809 2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.431 -13.956 4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.439 -14.113 5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.501 -13.791 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.368 -16.225 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.554 -16.411 4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.156 -15.668 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.999 -15.645 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.192 -17.716 4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.549 -18.008 3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.701 -18.030 5.074 1.00 0.00 H new ATOM 697 N LYS A 48 8.762 -13.816 0.738 1.00 0.00 N ATOM 698 CA LYS A 48 7.897 -14.052 -0.411 1.00 0.00 C ATOM 699 C LYS A 48 6.610 -14.756 0.010 1.00 0.00 C ATOM 700 O LYS A 48 6.621 -15.615 0.891 1.00 0.00 O ATOM 701 CB LYS A 48 8.631 -14.885 -1.466 1.00 0.00 C ATOM 702 CG LYS A 48 8.840 -14.151 -2.782 1.00 0.00 C ATOM 703 CD LYS A 48 10.242 -13.572 -2.882 1.00 0.00 C ATOM 704 CE LYS A 48 10.231 -12.177 -3.487 1.00 0.00 C ATOM 705 NZ LYS A 48 10.854 -12.152 -4.840 1.00 0.00 N ATOM 0 H LYS A 48 9.540 -14.471 0.822 1.00 0.00 H new ATOM 0 HA LYS A 48 7.634 -13.086 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.601 -15.186 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.066 -15.798 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.668 -14.836 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.107 -13.349 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.692 -13.535 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.864 -14.228 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.204 -11.819 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.765 -11.492 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.826 -11.183 -5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.842 -12.469 -4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.329 -12.786 -5.476 1.00 0.00 H new ATOM 719 N GLY A 49 5.504 -14.381 -0.623 1.00 0.00 N ATOM 720 CA GLY A 49 4.223 -14.984 -0.302 1.00 0.00 C ATOM 721 C GLY A 49 3.098 -13.967 -0.293 1.00 0.00 C ATOM 722 O GLY A 49 2.366 -13.832 -1.274 1.00 0.00 O ATOM 0 H GLY A 49 5.471 -13.670 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.999 -15.765 -1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.284 -15.465 0.674 1.00 0.00 H new ATOM 726 N ILE A 50 2.962 -13.249 0.817 1.00 0.00 N ATOM 727 CA ILE A 50 1.922 -12.238 0.949 1.00 0.00 C ATOM 728 C ILE A 50 2.508 -10.837 0.821 1.00 0.00 C ATOM 729 O ILE A 50 3.708 -10.636 1.013 1.00 0.00 O ATOM 730 CB ILE A 50 1.188 -12.357 2.299 1.00 0.00 C ATOM 731 CG1 ILE A 50 0.741 -13.802 2.531 1.00 0.00 C ATOM 732 CG2 ILE A 50 -0.003 -11.410 2.339 1.00 0.00 C ATOM 733 CD1 ILE A 50 -0.095 -13.987 3.779 1.00 0.00 C ATOM 0 H ILE A 50 3.560 -13.349 1.638 1.00 0.00 H new ATOM 0 HA ILE A 50 1.207 -12.408 0.144 1.00 0.00 H new ATOM 0 HB ILE A 50 1.873 -12.076 3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.168 -14.139 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.623 -14.440 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.512 -11.505 3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.343 -10.384 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.695 -11.661 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.375 -15.036 3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.482 -13.682 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.995 -13.377 3.708 1.00 0.00 H new ATOM 745 N GLY A 51 1.658 -9.870 0.490 1.00 0.00 N ATOM 746 CA GLY A 51 2.118 -8.504 0.338 1.00 0.00 C ATOM 747 C GLY A 51 2.371 -8.137 -1.106 1.00 0.00 C ATOM 748 O GLY A 51 1.890 -8.808 -2.018 1.00 0.00 O ATOM 0 H GLY A 51 0.661 -10.009 0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.376 -7.825 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.035 -8.367 0.911 1.00 0.00 H new ATOM 752 N ILE A 52 3.125 -7.067 -1.313 1.00 0.00 N ATOM 753 CA ILE A 52 3.449 -6.609 -2.657 1.00 0.00 C ATOM 754 C ILE A 52 4.420 -5.428 -2.616 1.00 0.00 C ATOM 755 O ILE A 52 5.096 -5.201 -1.612 1.00 0.00 O ATOM 756 CB ILE A 52 2.163 -6.276 -3.472 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.365 -6.643 -4.946 1.00 0.00 C ATOM 758 CG2 ILE A 52 1.742 -4.816 -3.337 1.00 0.00 C ATOM 759 CD1 ILE A 52 1.638 -7.902 -5.361 1.00 0.00 C ATOM 0 H ILE A 52 3.525 -6.499 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 52 3.951 -7.426 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 52 1.353 -6.875 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.025 -5.815 -5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.431 -6.769 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.841 -4.641 -3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.541 -4.591 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.543 -4.171 -3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.826 -8.100 -6.416 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.995 -8.742 -4.765 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.567 -7.773 -5.202 1.00 0.00 H new ATOM 771 N ASN A 53 4.497 -4.699 -3.716 1.00 0.00 N ATOM 772 CA ASN A 53 5.400 -3.558 -3.827 1.00 0.00 C ATOM 773 C ASN A 53 4.825 -2.318 -3.151 1.00 0.00 C ATOM 774 O ASN A 53 3.728 -2.349 -2.593 1.00 0.00 O ATOM 775 CB ASN A 53 5.692 -3.257 -5.298 1.00 0.00 C ATOM 776 CG ASN A 53 4.427 -3.041 -6.106 1.00 0.00 C ATOM 777 OD1 ASN A 53 3.884 -1.937 -6.148 1.00 0.00 O ATOM 778 ND2 ASN A 53 3.949 -4.099 -6.752 1.00 0.00 N ATOM 0 H ASN A 53 3.942 -4.876 -4.553 1.00 0.00 H new ATOM 0 HA ASN A 53 6.327 -3.821 -3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.320 -2.369 -5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.259 -4.082 -5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.100 -4.015 -7.311 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.431 -4.996 -6.689 1.00 0.00 H new ATOM 785 N CYS A 54 5.583 -1.226 -3.208 1.00 0.00 N ATOM 786 CA CYS A 54 5.168 0.034 -2.605 1.00 0.00 C ATOM 787 C CYS A 54 5.412 1.197 -3.562 1.00 0.00 C ATOM 788 O CYS A 54 5.792 0.995 -4.716 1.00 0.00 O ATOM 789 CB CYS A 54 5.929 0.269 -1.299 1.00 0.00 C ATOM 790 SG CYS A 54 6.015 -1.194 -0.216 1.00 0.00 S ATOM 0 H CYS A 54 6.492 -1.190 -3.669 1.00 0.00 H new ATOM 0 HA CYS A 54 4.100 -0.024 -2.393 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.943 0.594 -1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.452 1.084 -0.754 1.00 0.00 H new ATOM 795 N CYS A 55 5.197 2.415 -3.075 1.00 0.00 N ATOM 796 CA CYS A 55 5.399 3.609 -3.887 1.00 0.00 C ATOM 797 C CYS A 55 5.574 4.842 -3.008 1.00 0.00 C ATOM 798 O CYS A 55 5.419 4.776 -1.789 1.00 0.00 O ATOM 799 CB CYS A 55 4.223 3.811 -4.843 1.00 0.00 C ATOM 800 SG CYS A 55 2.587 3.623 -4.063 1.00 0.00 S ATOM 0 H CYS A 55 4.883 2.601 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 55 6.309 3.469 -4.470 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.292 4.807 -5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.307 3.096 -5.661 1.00 0.00 H new ATOM 805 N THR A 56 5.902 5.968 -3.636 1.00 0.00 N ATOM 806 CA THR A 56 6.101 7.217 -2.910 1.00 0.00 C ATOM 807 C THR A 56 5.544 8.401 -3.696 1.00 0.00 C ATOM 808 O THR A 56 6.171 9.457 -3.776 1.00 0.00 O ATOM 809 CB THR A 56 7.588 7.433 -2.623 1.00 0.00 C ATOM 810 OG1 THR A 56 7.805 8.704 -2.036 1.00 0.00 O ATOM 811 CG2 THR A 56 8.453 7.345 -3.861 1.00 0.00 C ATOM 0 H THR A 56 6.035 6.040 -4.645 1.00 0.00 H new ATOM 0 HA THR A 56 5.562 7.148 -1.965 1.00 0.00 H new ATOM 0 HB THR A 56 7.872 6.630 -1.942 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.072 8.591 -1.100 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.496 7.507 -3.589 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.345 6.358 -4.311 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.142 8.106 -4.577 1.00 0.00 H new ATOM 819 N THR A 57 4.361 8.218 -4.273 1.00 0.00 N ATOM 820 CA THR A 57 3.720 9.271 -5.051 1.00 0.00 C ATOM 821 C THR A 57 2.254 9.426 -4.652 1.00 0.00 C ATOM 822 O THR A 57 1.632 8.486 -4.160 1.00 0.00 O ATOM 823 CB THR A 57 3.828 8.968 -6.546 1.00 0.00 C ATOM 824 OG1 THR A 57 3.996 7.578 -6.766 1.00 0.00 O ATOM 825 CG2 THR A 57 4.982 9.681 -7.218 1.00 0.00 C ATOM 0 H THR A 57 3.827 7.351 -4.216 1.00 0.00 H new ATOM 0 HA THR A 57 4.235 10.209 -4.842 1.00 0.00 H new ATOM 0 HB THR A 57 2.895 9.327 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.061 7.405 -7.728 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.002 9.423 -8.277 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.857 10.758 -7.109 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.919 9.376 -6.752 1.00 0.00 H new ATOM 833 N ASP A 58 1.711 10.620 -4.869 1.00 0.00 N ATOM 834 CA ASP A 58 0.323 10.904 -4.533 1.00 0.00 C ATOM 835 C ASP A 58 -0.623 9.966 -5.276 1.00 0.00 C ATOM 836 O ASP A 58 -0.555 9.839 -6.498 1.00 0.00 O ATOM 837 CB ASP A 58 -0.009 12.357 -4.870 1.00 0.00 C ATOM 838 CG ASP A 58 0.476 12.760 -6.249 1.00 0.00 C ATOM 839 OD1 ASP A 58 1.653 13.160 -6.371 1.00 0.00 O ATOM 840 OD2 ASP A 58 -0.320 12.676 -7.208 1.00 0.00 O ATOM 0 H ASP A 58 2.214 11.408 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 58 0.191 10.743 -3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.088 12.503 -4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.442 13.012 -4.124 1.00 0.00 H new ATOM 845 N ARG A 59 -1.509 9.312 -4.528 1.00 0.00 N ATOM 846 CA ARG A 59 -2.471 8.384 -5.114 1.00 0.00 C ATOM 847 C ARG A 59 -1.763 7.303 -5.924 1.00 0.00 C ATOM 848 O ARG A 59 -2.318 6.772 -6.887 1.00 0.00 O ATOM 849 CB ARG A 59 -3.461 9.139 -6.002 1.00 0.00 C ATOM 850 CG ARG A 59 -4.148 10.297 -5.299 1.00 0.00 C ATOM 851 CD ARG A 59 -5.154 10.985 -6.209 1.00 0.00 C ATOM 852 NE ARG A 59 -5.089 12.440 -6.097 1.00 0.00 N ATOM 853 CZ ARG A 59 -5.633 13.276 -6.977 1.00 0.00 C ATOM 854 NH1 ARG A 59 -6.284 12.806 -8.034 1.00 0.00 N ATOM 855 NH2 ARG A 59 -5.526 14.586 -6.800 1.00 0.00 N ATOM 0 H ARG A 59 -1.580 9.408 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.015 7.903 -4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.935 9.518 -6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.218 8.442 -6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.654 9.932 -4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.401 11.019 -4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.967 10.692 -7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.160 10.647 -5.959 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.598 12.838 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.369 11.799 -8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.699 13.452 -8.706 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.027 14.952 -5.989 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.943 15.228 -7.475 1.00 0.00 H new ATOM 869 N CYS A 60 -0.536 6.984 -5.531 1.00 0.00 N ATOM 870 CA CYS A 60 0.252 5.974 -6.215 1.00 0.00 C ATOM 871 C CYS A 60 -0.341 4.582 -6.014 1.00 0.00 C ATOM 872 O CYS A 60 -0.163 3.695 -6.849 1.00 0.00 O ATOM 873 CB CYS A 60 1.691 6.010 -5.707 1.00 0.00 C ATOM 874 SG CYS A 60 1.880 5.523 -3.961 1.00 0.00 S ATOM 0 H CYS A 60 -0.065 7.416 -4.736 1.00 0.00 H new ATOM 0 HA CYS A 60 0.239 6.194 -7.282 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.299 5.349 -6.325 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.085 7.018 -5.836 1.00 0.00 H new ATOM 879 N ASN A 61 -1.043 4.395 -4.901 1.00 0.00 N ATOM 880 CA ASN A 61 -1.656 3.107 -4.595 1.00 0.00 C ATOM 881 C ASN A 61 -3.160 3.145 -4.857 1.00 0.00 C ATOM 882 O ASN A 61 -3.961 2.797 -3.989 1.00 0.00 O ATOM 883 CB ASN A 61 -1.380 2.720 -3.139 1.00 0.00 C ATOM 884 CG ASN A 61 -2.078 3.634 -2.151 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.802 4.550 -2.538 1.00 0.00 O ATOM 886 ND2 ASN A 61 -1.863 3.386 -0.863 1.00 0.00 N ATOM 0 H ASN A 61 -1.201 5.117 -4.198 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.215 2.355 -5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.706 1.693 -2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.306 2.747 -2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.306 3.966 -0.151 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.255 2.615 -0.587 1.00 0.00 H new ATOM 893 N ASN A 62 -3.535 3.567 -6.060 1.00 0.00 N ATOM 894 CA ASN A 62 -4.942 3.649 -6.437 1.00 0.00 C ATOM 895 C ASN A 62 -5.414 2.342 -7.064 1.00 0.00 C ATOM 896 O ASN A 62 -6.220 1.635 -6.423 1.00 0.00 O ATOM 897 CB ASN A 62 -5.165 4.806 -7.412 1.00 0.00 C ATOM 898 CG ASN A 62 -6.636 5.095 -7.637 1.00 0.00 C ATOM 899 OD1 ASN A 62 -7.500 4.548 -6.952 1.00 0.00 O ATOM 900 ND2 ASN A 62 -6.927 5.960 -8.601 1.00 0.00 N ATOM 901 OXT ASN A 62 -4.975 2.035 -8.192 1.00 0.00 O ATOM 0 H ASN A 62 -2.885 3.857 -6.790 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.524 3.829 -5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.676 5.701 -7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.694 4.570 -8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.900 6.195 -8.799 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.178 6.390 -9.144 1.00 0.00 H new TER 908 ASN A 62