USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 556 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 6 ASN : amide:sc= 0.279 K(o=1.1,f=0.2) USER MOD Set 1.2: A 72 GLN : amide:sc= 0.816 K(o=1.1,f=-0.46) USER MOD Set 2.1: A 71 LYS NZ :NH3+ -145:sc= 2.31 (180deg=1.46) USER MOD Set 2.2: A 73 GLN : amide:sc= 0.0411 K(o=2.4,f=-7!) USER MOD Set 3.1: A 52 THR OG1 : rot 120:sc= -0.0241 USER MOD Set 3.2: A 54 GLN : amide:sc= -0.0356 K(o=-0.06,f=1.4) USER MOD Set 4.1: A 33 SER OG : rot 180:sc= 0.00322 USER MOD Set 4.2: A 35 GLN : amide:sc= -0.0627 K(o=-0.06,f=0.61) USER MOD Set 5.1: A 32 GLN : amide:sc= -1.57 K(o=0.04,f=-3.7!) USER MOD Set 5.2: A 46 SER OG : rot -55:sc= 1.61 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 1.48 (180deg=-0.198) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 8 GLN : amide:sc= 1.07 K(o=1.1,f=-0.81) USER MOD Single : A 12 MET CE :methyl -169:sc= 0 (180deg=-0.177) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0238 USER MOD Single : A 17 CYS SG : rot 72:sc= 0.145 USER MOD Single : A 19 SER OG : rot -67:sc= 1.21 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0598 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0225) USER MOD Single : A 34 CYS SG : rot 24:sc= -0.0154 USER MOD Single : A 37 ASN : amide:sc= 0.235 K(o=0.23,f=-4.6!) USER MOD Single : A 42 GLN : amide:sc= -0.52 K(o=-0.52,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.921 K(o=-0.92,f=-0.37) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 60:sc= 0.182 USER MOD Single : A 65 TYR OH : rot 180:sc= 0.227 USER MOD Single : A 66 HIS : no HD1:sc= -0.827 K(o=-0.83,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.466 -18.513 -9.477 1.00 8.50 N ATOM 2 CA MET A 1 -3.580 -17.120 -9.969 1.00 6.40 C ATOM 3 C MET A 1 -4.002 -16.213 -8.822 1.00 5.12 C ATOM 4 O MET A 1 -4.505 -16.730 -7.834 1.00 6.01 O ATOM 5 CB MET A 1 -4.525 -16.996 -11.182 1.00 5.66 C ATOM 6 CG MET A 1 -5.973 -17.447 -10.931 1.00 5.84 C ATOM 7 SD MET A 1 -6.188 -19.231 -10.667 1.00 6.74 S ATOM 8 CE MET A 1 -7.993 -19.311 -10.511 1.00 7.23 C ATOM 0 H1 MET A 1 -2.518 -18.881 -9.694 1.00 8.50 H new ATOM 0 H2 MET A 1 -3.618 -18.531 -8.448 1.00 8.50 H new ATOM 0 H3 MET A 1 -4.182 -19.106 -9.943 1.00 8.50 H new ATOM 0 HA MET A 1 -2.602 -16.802 -10.329 1.00 6.40 H new ATOM 0 HB2 MET A 1 -4.536 -15.956 -11.509 1.00 5.66 H new ATOM 0 HB3 MET A 1 -4.115 -17.584 -12.003 1.00 5.66 H new ATOM 0 HG2 MET A 1 -6.356 -16.917 -10.059 1.00 5.84 H new ATOM 0 HG3 MET A 1 -6.584 -17.145 -11.781 1.00 5.84 H new ATOM 0 HE1 MET A 1 -8.298 -20.344 -10.344 1.00 7.23 H new ATOM 0 HE2 MET A 1 -8.313 -18.697 -9.669 1.00 7.23 H new ATOM 0 HE3 MET A 1 -8.454 -18.940 -11.426 1.00 7.23 H new ATOM 20 N ALA A 2 -3.770 -14.905 -8.953 1.00 3.72 N ATOM 21 CA ALA A 2 -3.950 -13.853 -7.948 1.00 2.93 C ATOM 22 C ALA A 2 -3.586 -12.508 -8.606 1.00 2.44 C ATOM 23 O ALA A 2 -2.845 -12.509 -9.589 1.00 2.69 O ATOM 24 CB ALA A 2 -3.058 -14.142 -6.729 1.00 3.65 C ATOM 0 H ALA A 2 -3.424 -14.523 -9.833 1.00 3.72 H new ATOM 0 HA ALA A 2 -4.981 -13.817 -7.597 1.00 2.93 H new ATOM 0 HB1 ALA A 2 -3.195 -13.358 -5.984 1.00 3.65 H new ATOM 0 HB2 ALA A 2 -3.333 -15.104 -6.297 1.00 3.65 H new ATOM 0 HB3 ALA A 2 -2.014 -14.169 -7.040 1.00 3.65 H new ATOM 30 N GLN A 3 -4.066 -11.382 -8.082 1.00 2.10 N ATOM 31 CA GLN A 3 -3.712 -10.044 -8.580 1.00 1.92 C ATOM 32 C GLN A 3 -2.639 -9.440 -7.667 1.00 2.16 C ATOM 33 O GLN A 3 -2.935 -9.214 -6.497 1.00 2.65 O ATOM 34 CB GLN A 3 -4.962 -9.155 -8.508 1.00 2.05 C ATOM 35 CG GLN A 3 -6.018 -9.378 -9.594 1.00 2.21 C ATOM 36 CD GLN A 3 -5.557 -8.856 -10.949 1.00 3.09 C ATOM 37 OE1 GLN A 3 -4.819 -9.503 -11.669 1.00 3.70 O ATOM 38 NE2 GLN A 3 -5.932 -7.654 -11.336 1.00 4.08 N ATOM 0 H GLN A 3 -4.715 -11.367 -7.296 1.00 2.10 H new ATOM 0 HA GLN A 3 -3.342 -10.110 -9.603 1.00 1.92 H new ATOM 0 HB2 GLN A 3 -5.433 -9.306 -7.537 1.00 2.05 H new ATOM 0 HB3 GLN A 3 -4.644 -8.113 -8.549 1.00 2.05 H new ATOM 0 HG2 GLN A 3 -6.240 -10.442 -9.671 1.00 2.21 H new ATOM 0 HG3 GLN A 3 -6.944 -8.879 -9.308 1.00 2.21 H new ATOM 0 HE21 GLN A 3 -6.550 -7.098 -10.745 1.00 4.08 H new ATOM 0 HE22 GLN A 3 -5.604 -7.280 -12.226 1.00 4.08 H new ATOM 47 N THR A 4 -1.420 -9.155 -8.150 1.00 1.90 N ATOM 48 CA THR A 4 -0.348 -8.557 -7.325 1.00 2.04 C ATOM 49 C THR A 4 0.331 -7.451 -8.120 1.00 2.29 C ATOM 50 O THR A 4 0.906 -7.740 -9.164 1.00 2.85 O ATOM 51 CB THR A 4 0.639 -9.612 -6.763 1.00 2.09 C ATOM 52 OG1 THR A 4 1.831 -9.675 -7.496 1.00 2.95 O ATOM 53 CG2 THR A 4 0.144 -11.065 -6.728 1.00 3.10 C ATOM 0 H THR A 4 -1.146 -9.330 -9.117 1.00 1.90 H new ATOM 0 HA THR A 4 -0.792 -8.112 -6.434 1.00 2.04 H new ATOM 0 HB THR A 4 0.767 -9.245 -5.745 1.00 2.09 H new ATOM 0 HG1 THR A 4 2.421 -10.352 -7.103 1.00 2.95 H new ATOM 0 HG21 THR A 4 0.924 -11.705 -6.315 1.00 3.10 H new ATOM 0 HG22 THR A 4 -0.748 -11.131 -6.104 1.00 3.10 H new ATOM 0 HG23 THR A 4 -0.096 -11.392 -7.740 1.00 3.10 H new ATOM 61 N ILE A 5 0.227 -6.193 -7.686 1.00 1.87 N ATOM 62 CA ILE A 5 0.723 -5.035 -8.450 1.00 1.84 C ATOM 63 C ILE A 5 1.883 -4.420 -7.674 1.00 1.23 C ATOM 64 O ILE A 5 1.683 -3.774 -6.653 1.00 0.85 O ATOM 65 CB ILE A 5 -0.391 -3.991 -8.723 1.00 2.09 C ATOM 66 CG1 ILE A 5 -1.499 -4.436 -9.711 1.00 2.85 C ATOM 67 CG2 ILE A 5 0.193 -2.691 -9.318 1.00 2.15 C ATOM 68 CD1 ILE A 5 -2.281 -5.704 -9.358 1.00 3.25 C ATOM 0 H ILE A 5 -0.203 -5.943 -6.795 1.00 1.87 H new ATOM 0 HA ILE A 5 1.062 -5.369 -9.430 1.00 1.84 H new ATOM 0 HB ILE A 5 -0.835 -3.853 -7.737 1.00 2.09 H new ATOM 0 HG12 ILE A 5 -2.211 -3.617 -9.812 1.00 2.85 H new ATOM 0 HG13 ILE A 5 -1.041 -4.583 -10.689 1.00 2.85 H new ATOM 0 HG21 ILE A 5 -0.613 -1.979 -9.498 1.00 2.15 H new ATOM 0 HG22 ILE A 5 0.908 -2.260 -8.618 1.00 2.15 H new ATOM 0 HG23 ILE A 5 0.696 -2.915 -10.259 1.00 2.15 H new ATOM 0 HD11 ILE A 5 -3.023 -5.901 -10.131 1.00 3.25 H new ATOM 0 HD12 ILE A 5 -1.594 -6.548 -9.291 1.00 3.25 H new ATOM 0 HD13 ILE A 5 -2.783 -5.567 -8.400 1.00 3.25 H new ATOM 80 N ASN A 6 3.090 -4.594 -8.198 1.00 1.65 N ATOM 81 CA ASN A 6 4.346 -4.139 -7.608 1.00 1.43 C ATOM 82 C ASN A 6 4.682 -2.688 -8.017 1.00 1.33 C ATOM 83 O ASN A 6 5.720 -2.414 -8.623 1.00 2.48 O ATOM 84 CB ASN A 6 5.437 -5.178 -7.955 1.00 1.58 C ATOM 85 CG ASN A 6 5.439 -5.615 -9.423 1.00 1.83 C ATOM 86 OD1 ASN A 6 5.306 -6.784 -9.745 1.00 2.82 O ATOM 87 ND2 ASN A 6 5.533 -4.685 -10.352 1.00 2.08 N ATOM 0 H ASN A 6 3.228 -5.078 -9.085 1.00 1.65 H new ATOM 0 HA ASN A 6 4.269 -4.085 -6.522 1.00 1.43 H new ATOM 0 HB2 ASN A 6 6.413 -4.760 -7.710 1.00 1.58 H new ATOM 0 HB3 ASN A 6 5.300 -6.057 -7.325 1.00 1.58 H new ATOM 0 HD21 ASN A 6 5.494 -4.943 -11.338 1.00 2.08 H new ATOM 0 HD22 ASN A 6 5.644 -3.707 -10.085 1.00 2.08 H new ATOM 94 N LEU A 7 3.791 -1.738 -7.713 1.00 0.98 N ATOM 95 CA LEU A 7 4.065 -0.299 -7.871 1.00 0.95 C ATOM 96 C LEU A 7 4.957 0.203 -6.723 1.00 0.98 C ATOM 97 O LEU A 7 5.265 -0.537 -5.789 1.00 1.03 O ATOM 98 CB LEU A 7 2.748 0.494 -8.044 1.00 0.99 C ATOM 99 CG LEU A 7 1.924 0.840 -6.779 1.00 1.14 C ATOM 100 CD1 LEU A 7 0.603 1.481 -7.233 1.00 1.29 C ATOM 101 CD2 LEU A 7 1.597 -0.369 -5.898 1.00 1.19 C ATOM 0 H LEU A 7 2.859 -1.941 -7.351 1.00 0.98 H new ATOM 0 HA LEU A 7 4.630 -0.129 -8.787 1.00 0.95 H new ATOM 0 HB2 LEU A 7 2.988 1.429 -8.550 1.00 0.99 H new ATOM 0 HB3 LEU A 7 2.104 -0.075 -8.714 1.00 0.99 H new ATOM 0 HG LEU A 7 2.534 1.511 -6.174 1.00 1.14 H new ATOM 0 HD11 LEU A 7 0.003 1.735 -6.359 1.00 1.29 H new ATOM 0 HD12 LEU A 7 0.815 2.386 -7.803 1.00 1.29 H new ATOM 0 HD13 LEU A 7 0.054 0.778 -7.859 1.00 1.29 H new ATOM 0 HD21 LEU A 7 1.019 -0.043 -5.033 1.00 1.19 H new ATOM 0 HD22 LEU A 7 1.016 -1.091 -6.472 1.00 1.19 H new ATOM 0 HD23 LEU A 7 2.523 -0.834 -5.561 1.00 1.19 H new ATOM 113 N GLN A 8 5.385 1.456 -6.786 1.00 0.97 N ATOM 114 CA GLN A 8 6.100 2.128 -5.712 1.00 1.00 C ATOM 115 C GLN A 8 5.172 3.029 -4.904 1.00 1.03 C ATOM 116 O GLN A 8 4.079 3.403 -5.337 1.00 1.01 O ATOM 117 CB GLN A 8 7.314 2.863 -6.288 1.00 1.00 C ATOM 118 CG GLN A 8 8.457 1.904 -6.636 1.00 1.13 C ATOM 119 CD GLN A 8 9.494 2.595 -7.510 1.00 1.22 C ATOM 120 OE1 GLN A 8 9.785 2.164 -8.613 1.00 1.51 O ATOM 121 NE2 GLN A 8 10.049 3.717 -7.112 1.00 1.34 N ATOM 0 H GLN A 8 5.241 2.047 -7.605 1.00 0.97 H new ATOM 0 HA GLN A 8 6.473 1.389 -5.003 1.00 1.00 H new ATOM 0 HB2 GLN A 8 7.015 3.410 -7.182 1.00 1.00 H new ATOM 0 HB3 GLN A 8 7.667 3.600 -5.567 1.00 1.00 H new ATOM 0 HG2 GLN A 8 8.927 1.544 -5.721 1.00 1.13 H new ATOM 0 HG3 GLN A 8 8.060 1.031 -7.155 1.00 1.13 H new ATOM 0 HE21 GLN A 8 9.823 4.100 -6.194 1.00 1.34 H new ATOM 0 HE22 GLN A 8 10.706 4.205 -7.721 1.00 1.34 H new ATOM 130 N LEU A 9 5.619 3.361 -3.697 1.00 1.11 N ATOM 131 CA LEU A 9 4.857 4.147 -2.741 1.00 1.04 C ATOM 132 C LEU A 9 5.368 5.592 -2.766 1.00 1.29 C ATOM 133 O LEU A 9 6.549 5.846 -2.986 1.00 1.68 O ATOM 134 CB LEU A 9 4.968 3.500 -1.349 1.00 0.65 C ATOM 135 CG LEU A 9 3.905 4.029 -0.369 1.00 0.71 C ATOM 136 CD1 LEU A 9 2.535 3.379 -0.605 1.00 1.71 C ATOM 137 CD2 LEU A 9 4.320 3.767 1.083 1.00 1.26 C ATOM 0 H LEU A 9 6.538 3.085 -3.352 1.00 1.11 H new ATOM 0 HA LEU A 9 3.799 4.168 -3.003 1.00 1.04 H new ATOM 0 HB2 LEU A 9 4.864 2.419 -1.444 1.00 0.65 H new ATOM 0 HB3 LEU A 9 5.961 3.690 -0.941 1.00 0.65 H new ATOM 0 HG LEU A 9 3.827 5.101 -0.548 1.00 0.71 H new ATOM 0 HD11 LEU A 9 1.814 3.780 0.107 1.00 1.71 H new ATOM 0 HD12 LEU A 9 2.200 3.594 -1.620 1.00 1.71 H new ATOM 0 HD13 LEU A 9 2.616 2.300 -0.471 1.00 1.71 H new ATOM 0 HD21 LEU A 9 3.552 4.150 1.756 1.00 1.26 H new ATOM 0 HD22 LEU A 9 4.438 2.695 1.240 1.00 1.26 H new ATOM 0 HD23 LEU A 9 5.265 4.270 1.288 1.00 1.26 H new ATOM 149 N GLU A 10 4.462 6.545 -2.588 1.00 1.45 N ATOM 150 CA GLU A 10 4.725 7.978 -2.704 1.00 1.73 C ATOM 151 C GLU A 10 4.680 8.625 -1.313 1.00 1.51 C ATOM 152 O GLU A 10 3.939 8.177 -0.439 1.00 1.42 O ATOM 153 CB GLU A 10 3.679 8.609 -3.642 1.00 2.23 C ATOM 154 CG GLU A 10 4.206 9.681 -4.601 1.00 2.46 C ATOM 155 CD GLU A 10 4.993 10.753 -3.870 1.00 2.23 C ATOM 156 OE1 GLU A 10 6.214 10.536 -3.739 1.00 2.70 O ATOM 157 OE2 GLU A 10 4.385 11.705 -3.353 1.00 3.45 O ATOM 0 H GLU A 10 3.492 6.337 -2.351 1.00 1.45 H new ATOM 0 HA GLU A 10 5.717 8.145 -3.124 1.00 1.73 H new ATOM 0 HB2 GLU A 10 3.220 7.815 -4.231 1.00 2.23 H new ATOM 0 HB3 GLU A 10 2.890 9.050 -3.032 1.00 2.23 H new ATOM 0 HG2 GLU A 10 4.841 9.214 -5.355 1.00 2.46 H new ATOM 0 HG3 GLU A 10 3.370 10.140 -5.128 1.00 2.46 H new ATOM 164 N GLY A 11 5.456 9.688 -1.104 1.00 1.83 N ATOM 165 CA GLY A 11 5.475 10.487 0.122 1.00 1.95 C ATOM 166 C GLY A 11 6.389 9.945 1.222 1.00 1.73 C ATOM 167 O GLY A 11 6.689 10.706 2.139 1.00 2.01 O ATOM 0 H GLY A 11 6.111 10.029 -1.807 1.00 1.83 H new ATOM 0 HA2 GLY A 11 5.789 11.501 -0.126 1.00 1.95 H new ATOM 0 HA3 GLY A 11 4.459 10.554 0.512 1.00 1.95 H new ATOM 171 N MET A 12 6.813 8.674 1.133 1.00 1.50 N ATOM 172 CA MET A 12 7.661 7.920 2.083 1.00 1.43 C ATOM 173 C MET A 12 8.630 8.779 2.921 1.00 1.51 C ATOM 174 O MET A 12 9.540 9.400 2.379 1.00 2.30 O ATOM 175 CB MET A 12 8.484 6.856 1.329 1.00 1.80 C ATOM 176 CG MET A 12 7.663 5.968 0.388 1.00 2.34 C ATOM 177 SD MET A 12 8.556 4.507 -0.196 1.00 3.32 S ATOM 178 CE MET A 12 8.381 3.381 1.210 1.00 3.62 C ATOM 0 H MET A 12 6.553 8.097 0.333 1.00 1.50 H new ATOM 0 HA MET A 12 6.958 7.471 2.784 1.00 1.43 H new ATOM 0 HB2 MET A 12 9.260 7.358 0.750 1.00 1.80 H new ATOM 0 HB3 MET A 12 8.989 6.222 2.058 1.00 1.80 H new ATOM 0 HG2 MET A 12 6.757 5.648 0.903 1.00 2.34 H new ATOM 0 HG3 MET A 12 7.348 6.559 -0.472 1.00 2.34 H new ATOM 0 HE1 MET A 12 9.041 2.524 1.074 1.00 3.62 H new ATOM 0 HE2 MET A 12 8.648 3.902 2.129 1.00 3.62 H new ATOM 0 HE3 MET A 12 7.349 3.038 1.275 1.00 3.62 H new ATOM 188 N ARG A 13 8.459 8.799 4.250 1.00 1.44 N ATOM 189 CA ARG A 13 9.235 9.615 5.208 1.00 1.82 C ATOM 190 C ARG A 13 9.578 8.824 6.481 1.00 1.61 C ATOM 191 O ARG A 13 9.031 7.750 6.723 1.00 2.98 O ATOM 192 CB ARG A 13 8.446 10.905 5.529 1.00 2.64 C ATOM 193 CG ARG A 13 8.615 11.969 4.427 1.00 3.33 C ATOM 194 CD ARG A 13 7.372 12.844 4.219 1.00 4.78 C ATOM 195 NE ARG A 13 7.414 13.483 2.888 1.00 5.60 N ATOM 196 CZ ARG A 13 7.776 14.728 2.593 1.00 6.23 C ATOM 197 NH1 ARG A 13 8.106 15.588 3.536 1.00 6.48 N ATOM 198 NH2 ARG A 13 7.824 15.119 1.336 1.00 7.26 N ATOM 0 H ARG A 13 7.751 8.227 4.710 1.00 1.44 H new ATOM 0 HA ARG A 13 10.188 9.887 4.753 1.00 1.82 H new ATOM 0 HB2 ARG A 13 7.389 10.665 5.644 1.00 2.64 H new ATOM 0 HB3 ARG A 13 8.786 11.311 6.482 1.00 2.64 H new ATOM 0 HG2 ARG A 13 9.461 12.609 4.679 1.00 3.33 H new ATOM 0 HG3 ARG A 13 8.860 11.472 3.488 1.00 3.33 H new ATOM 0 HD2 ARG A 13 6.472 12.237 4.310 1.00 4.78 H new ATOM 0 HD3 ARG A 13 7.322 13.607 4.995 1.00 4.78 H new ATOM 0 HE ARG A 13 7.131 12.899 2.101 1.00 5.60 H new ATOM 0 HH11 ARG A 13 8.087 15.303 4.515 1.00 6.48 H new ATOM 0 HH12 ARG A 13 8.381 16.538 3.286 1.00 6.48 H new ATOM 0 HH21 ARG A 13 7.584 14.467 0.590 1.00 7.26 H new ATOM 0 HH22 ARG A 13 8.102 16.074 1.109 1.00 7.26 H new ATOM 212 N CYS A 14 10.496 9.353 7.295 1.00 1.83 N ATOM 213 CA CYS A 14 11.145 8.704 8.448 1.00 1.97 C ATOM 214 C CYS A 14 10.241 8.446 9.682 1.00 2.47 C ATOM 215 O CYS A 14 10.607 8.788 10.803 1.00 4.06 O ATOM 216 CB CYS A 14 12.390 9.534 8.814 1.00 3.03 C ATOM 217 SG CYS A 14 13.434 9.820 7.354 1.00 4.75 S ATOM 0 H CYS A 14 10.830 10.307 7.161 1.00 1.83 H new ATOM 0 HA CYS A 14 11.412 7.694 8.137 1.00 1.97 H new ATOM 0 HB2 CYS A 14 12.082 10.490 9.238 1.00 3.03 H new ATOM 0 HB3 CYS A 14 12.965 9.015 9.581 1.00 3.03 H new ATOM 0 HG CYS A 14 14.473 10.523 7.694 1.00 4.75 H new ATOM 223 N ALA A 15 9.070 7.834 9.490 1.00 2.19 N ATOM 224 CA ALA A 15 8.141 7.448 10.549 1.00 2.77 C ATOM 225 C ALA A 15 7.553 6.049 10.289 1.00 2.04 C ATOM 226 O ALA A 15 7.464 5.598 9.146 1.00 2.61 O ATOM 227 CB ALA A 15 7.054 8.527 10.655 1.00 4.05 C ATOM 0 H ALA A 15 8.733 7.586 8.560 1.00 2.19 H new ATOM 0 HA ALA A 15 8.665 7.380 11.502 1.00 2.77 H new ATOM 0 HB1 ALA A 15 6.349 8.257 11.441 1.00 4.05 H new ATOM 0 HB2 ALA A 15 7.515 9.485 10.894 1.00 4.05 H new ATOM 0 HB3 ALA A 15 6.525 8.605 9.705 1.00 4.05 H new ATOM 233 N ALA A 16 7.114 5.376 11.359 1.00 1.62 N ATOM 234 CA ALA A 16 6.630 3.986 11.360 1.00 1.26 C ATOM 235 C ALA A 16 5.372 3.723 10.502 1.00 0.97 C ATOM 236 O ALA A 16 4.985 2.568 10.307 1.00 1.11 O ATOM 237 CB ALA A 16 6.407 3.575 12.822 1.00 1.57 C ATOM 0 H ALA A 16 7.084 5.800 12.286 1.00 1.62 H new ATOM 0 HA ALA A 16 7.393 3.373 10.880 1.00 1.26 H new ATOM 0 HB1 ALA A 16 6.047 2.547 12.860 1.00 1.57 H new ATOM 0 HB2 ALA A 16 7.347 3.651 13.369 1.00 1.57 H new ATOM 0 HB3 ALA A 16 5.668 4.235 13.277 1.00 1.57 H new ATOM 243 N CYS A 17 4.755 4.776 9.950 1.00 0.81 N ATOM 244 CA CYS A 17 3.609 4.727 9.050 1.00 0.74 C ATOM 245 C CYS A 17 3.772 3.750 7.872 1.00 0.67 C ATOM 246 O CYS A 17 2.764 3.207 7.440 1.00 0.71 O ATOM 247 CB CYS A 17 3.349 6.152 8.534 1.00 1.04 C ATOM 248 SG CYS A 17 3.224 7.344 9.894 1.00 1.83 S ATOM 0 H CYS A 17 5.062 5.731 10.132 1.00 0.81 H new ATOM 0 HA CYS A 17 2.761 4.345 9.618 1.00 0.74 H new ATOM 0 HB2 CYS A 17 4.155 6.449 7.863 1.00 1.04 H new ATOM 0 HB3 CYS A 17 2.428 6.166 7.952 1.00 1.04 H new ATOM 0 HG CYS A 17 4.401 7.537 10.411 1.00 1.83 H new ATOM 254 N ALA A 18 4.995 3.495 7.386 1.00 0.80 N ATOM 255 CA ALA A 18 5.260 2.664 6.209 1.00 0.94 C ATOM 256 C ALA A 18 4.772 1.223 6.421 1.00 0.93 C ATOM 257 O ALA A 18 3.792 0.817 5.811 1.00 0.91 O ATOM 258 CB ALA A 18 6.757 2.750 5.881 1.00 1.21 C ATOM 0 H ALA A 18 5.843 3.870 7.811 1.00 0.80 H new ATOM 0 HA ALA A 18 4.698 3.035 5.352 1.00 0.94 H new ATOM 0 HB1 ALA A 18 6.974 2.137 5.006 1.00 1.21 H new ATOM 0 HB2 ALA A 18 7.025 3.786 5.673 1.00 1.21 H new ATOM 0 HB3 ALA A 18 7.337 2.388 6.730 1.00 1.21 H new ATOM 264 N SER A 19 5.340 0.487 7.375 1.00 1.03 N ATOM 265 CA SER A 19 4.818 -0.866 7.687 1.00 1.12 C ATOM 266 C SER A 19 3.471 -0.835 8.432 1.00 1.09 C ATOM 267 O SER A 19 2.730 -1.816 8.474 1.00 1.17 O ATOM 268 CB SER A 19 5.850 -1.709 8.433 1.00 1.37 C ATOM 269 OG SER A 19 6.862 -2.080 7.523 1.00 2.59 O ATOM 0 H SER A 19 6.138 0.782 7.937 1.00 1.03 H new ATOM 0 HA SER A 19 4.626 -1.345 6.727 1.00 1.12 H new ATOM 0 HB2 SER A 19 6.274 -1.143 9.262 1.00 1.37 H new ATOM 0 HB3 SER A 19 5.380 -2.595 8.859 1.00 1.37 H new ATOM 0 HG SER A 19 6.492 -2.695 6.856 1.00 2.59 H new ATOM 275 N SER A 20 3.079 0.320 8.973 1.00 1.05 N ATOM 276 CA SER A 20 1.702 0.538 9.420 1.00 1.08 C ATOM 277 C SER A 20 0.668 0.632 8.276 1.00 0.99 C ATOM 278 O SER A 20 -0.531 0.568 8.558 1.00 1.07 O ATOM 279 CB SER A 20 1.628 1.746 10.361 1.00 1.17 C ATOM 280 OG SER A 20 0.816 1.432 11.482 1.00 1.65 O ATOM 0 H SER A 20 3.697 1.120 9.112 1.00 1.05 H new ATOM 0 HA SER A 20 1.417 -0.357 9.973 1.00 1.08 H new ATOM 0 HB2 SER A 20 2.629 2.023 10.692 1.00 1.17 H new ATOM 0 HB3 SER A 20 1.217 2.606 9.832 1.00 1.17 H new ATOM 0 HG SER A 20 0.773 2.206 12.082 1.00 1.65 H new ATOM 286 N ILE A 21 1.083 0.738 7.001 1.00 0.85 N ATOM 287 CA ILE A 21 0.223 0.447 5.835 1.00 0.80 C ATOM 288 C ILE A 21 -0.072 -1.047 5.793 1.00 0.86 C ATOM 289 O ILE A 21 -1.236 -1.418 5.871 1.00 0.92 O ATOM 290 CB ILE A 21 0.857 0.924 4.504 1.00 0.70 C ATOM 291 CG1 ILE A 21 0.886 2.463 4.472 1.00 0.53 C ATOM 292 CG2 ILE A 21 0.091 0.386 3.280 1.00 0.82 C ATOM 293 CD1 ILE A 21 1.843 3.039 3.429 1.00 0.62 C ATOM 0 H ILE A 21 2.027 1.029 6.747 1.00 0.85 H new ATOM 0 HA ILE A 21 -0.708 1.003 5.949 1.00 0.80 H new ATOM 0 HB ILE A 21 1.873 0.532 4.454 1.00 0.70 H new ATOM 0 HG12 ILE A 21 -0.120 2.832 4.272 1.00 0.53 H new ATOM 0 HG13 ILE A 21 1.171 2.833 5.457 1.00 0.53 H new ATOM 0 HG21 ILE A 21 0.567 0.743 2.367 1.00 0.82 H new ATOM 0 HG22 ILE A 21 0.103 -0.704 3.293 1.00 0.82 H new ATOM 0 HG23 ILE A 21 -0.940 0.738 3.313 1.00 0.82 H new ATOM 0 HD11 ILE A 21 1.809 4.128 3.466 1.00 0.62 H new ATOM 0 HD12 ILE A 21 2.857 2.700 3.640 1.00 0.62 H new ATOM 0 HD13 ILE A 21 1.546 2.700 2.436 1.00 0.62 H new ATOM 305 N GLU A 22 0.958 -1.894 5.737 1.00 0.83 N ATOM 306 CA GLU A 22 0.832 -3.359 5.697 1.00 0.91 C ATOM 307 C GLU A 22 -0.090 -3.837 6.833 1.00 1.02 C ATOM 308 O GLU A 22 -1.093 -4.527 6.621 1.00 1.07 O ATOM 309 CB GLU A 22 2.228 -4.014 5.811 1.00 0.94 C ATOM 310 CG GLU A 22 3.194 -3.578 4.700 1.00 0.84 C ATOM 311 CD GLU A 22 4.635 -4.035 4.949 1.00 1.23 C ATOM 312 OE1 GLU A 22 5.224 -3.575 5.957 1.00 2.32 O ATOM 313 OE2 GLU A 22 5.158 -4.764 4.069 1.00 1.99 O ATOM 0 H GLU A 22 1.927 -1.576 5.718 1.00 0.83 H new ATOM 0 HA GLU A 22 0.390 -3.656 4.746 1.00 0.91 H new ATOM 0 HB2 GLU A 22 2.662 -3.764 6.779 1.00 0.94 H new ATOM 0 HB3 GLU A 22 2.117 -5.098 5.782 1.00 0.94 H new ATOM 0 HG2 GLU A 22 2.850 -3.981 3.748 1.00 0.84 H new ATOM 0 HG3 GLU A 22 3.173 -2.492 4.613 1.00 0.84 H new ATOM 320 N ARG A 23 0.181 -3.346 8.047 1.00 1.11 N ATOM 321 CA ARG A 23 -0.603 -3.641 9.243 1.00 1.27 C ATOM 322 C ARG A 23 -2.044 -3.102 9.203 1.00 1.29 C ATOM 323 O ARG A 23 -2.891 -3.611 9.941 1.00 1.42 O ATOM 324 CB ARG A 23 0.154 -3.105 10.471 1.00 1.36 C ATOM 325 CG ARG A 23 -0.205 -3.848 11.767 1.00 1.62 C ATOM 326 CD ARG A 23 0.273 -5.310 11.715 1.00 1.87 C ATOM 327 NE ARG A 23 0.162 -5.973 13.026 1.00 2.35 N ATOM 328 CZ ARG A 23 0.240 -7.281 13.252 1.00 2.92 C ATOM 329 NH1 ARG A 23 0.432 -8.151 12.279 1.00 3.98 N ATOM 330 NH2 ARG A 23 0.130 -7.739 14.481 1.00 3.25 N ATOM 0 H ARG A 23 0.967 -2.721 8.225 1.00 1.11 H new ATOM 0 HA ARG A 23 -0.714 -4.724 9.300 1.00 1.27 H new ATOM 0 HB2 ARG A 23 1.226 -3.189 10.295 1.00 1.36 H new ATOM 0 HB3 ARG A 23 -0.067 -2.045 10.593 1.00 1.36 H new ATOM 0 HG2 ARG A 23 0.251 -3.343 12.618 1.00 1.62 H new ATOM 0 HG3 ARG A 23 -1.284 -3.820 11.920 1.00 1.62 H new ATOM 0 HD2 ARG A 23 -0.316 -5.858 10.980 1.00 1.87 H new ATOM 0 HD3 ARG A 23 1.310 -5.341 11.379 1.00 1.87 H new ATOM 0 HE ARG A 23 0.011 -5.372 13.836 1.00 2.35 H new ATOM 0 HH11 ARG A 23 0.526 -7.827 11.316 1.00 3.98 H new ATOM 0 HH12 ARG A 23 0.487 -9.148 12.489 1.00 3.98 H new ATOM 0 HH21 ARG A 23 -0.015 -7.091 15.256 1.00 3.25 H new ATOM 0 HH22 ARG A 23 0.189 -8.742 14.659 1.00 3.25 H new ATOM 344 N ALA A 24 -2.354 -2.087 8.394 1.00 1.17 N ATOM 345 CA ALA A 24 -3.724 -1.617 8.175 1.00 1.21 C ATOM 346 C ALA A 24 -4.434 -2.377 7.037 1.00 1.17 C ATOM 347 O ALA A 24 -5.590 -2.762 7.204 1.00 1.29 O ATOM 348 CB ALA A 24 -3.702 -0.106 7.910 1.00 1.17 C ATOM 0 H ALA A 24 -1.655 -1.563 7.867 1.00 1.17 H new ATOM 0 HA ALA A 24 -4.303 -1.819 9.076 1.00 1.21 H new ATOM 0 HB1 ALA A 24 -4.719 0.250 7.746 1.00 1.17 H new ATOM 0 HB2 ALA A 24 -3.272 0.408 8.770 1.00 1.17 H new ATOM 0 HB3 ALA A 24 -3.099 0.100 7.026 1.00 1.17 H new ATOM 354 N ILE A 25 -3.728 -2.643 5.931 1.00 1.05 N ATOM 355 CA ILE A 25 -4.212 -3.315 4.712 1.00 0.99 C ATOM 356 C ILE A 25 -4.602 -4.763 4.994 1.00 0.92 C ATOM 357 O ILE A 25 -5.575 -5.243 4.427 1.00 0.92 O ATOM 358 CB ILE A 25 -3.167 -3.161 3.572 1.00 0.96 C ATOM 359 CG1 ILE A 25 -3.281 -1.725 3.015 1.00 0.83 C ATOM 360 CG2 ILE A 25 -3.350 -4.192 2.447 1.00 1.17 C ATOM 361 CD1 ILE A 25 -2.462 -1.405 1.762 1.00 1.02 C ATOM 0 H ILE A 25 -2.745 -2.381 5.856 1.00 1.05 H new ATOM 0 HA ILE A 25 -5.127 -2.831 4.370 1.00 0.99 H new ATOM 0 HB ILE A 25 -2.175 -3.344 3.984 1.00 0.96 H new ATOM 0 HG12 ILE A 25 -4.330 -1.528 2.795 1.00 0.83 H new ATOM 0 HG13 ILE A 25 -2.985 -1.031 3.801 1.00 0.83 H new ATOM 0 HG21 ILE A 25 -2.591 -4.033 1.681 1.00 1.17 H new ATOM 0 HG22 ILE A 25 -3.249 -5.198 2.855 1.00 1.17 H new ATOM 0 HG23 ILE A 25 -4.340 -4.077 2.006 1.00 1.17 H new ATOM 0 HD11 ILE A 25 -2.629 -0.367 1.473 1.00 1.02 H new ATOM 0 HD12 ILE A 25 -1.403 -1.557 1.971 1.00 1.02 H new ATOM 0 HD13 ILE A 25 -2.770 -2.062 0.949 1.00 1.02 H new ATOM 373 N ALA A 26 -3.967 -5.406 5.969 1.00 0.89 N ATOM 374 CA ALA A 26 -4.397 -6.706 6.500 1.00 0.81 C ATOM 375 C ALA A 26 -5.894 -6.788 6.909 1.00 0.79 C ATOM 376 O ALA A 26 -6.434 -7.885 7.005 1.00 0.62 O ATOM 377 CB ALA A 26 -3.469 -7.056 7.670 1.00 0.84 C ATOM 0 H ALA A 26 -3.129 -5.039 6.421 1.00 0.89 H new ATOM 0 HA ALA A 26 -4.318 -7.437 5.696 1.00 0.81 H new ATOM 0 HB1 ALA A 26 -3.760 -8.019 8.090 1.00 0.84 H new ATOM 0 HB2 ALA A 26 -2.440 -7.112 7.314 1.00 0.84 H new ATOM 0 HB3 ALA A 26 -3.546 -6.287 8.438 1.00 0.84 H new ATOM 383 N LYS A 27 -6.592 -5.667 7.154 1.00 1.03 N ATOM 384 CA LYS A 27 -8.045 -5.628 7.346 1.00 1.07 C ATOM 385 C LYS A 27 -8.861 -5.181 6.109 1.00 1.22 C ATOM 386 O LYS A 27 -10.085 -5.108 6.199 1.00 1.39 O ATOM 387 CB LYS A 27 -8.332 -4.710 8.538 1.00 1.37 C ATOM 388 CG LYS A 27 -7.850 -5.318 9.861 1.00 1.49 C ATOM 389 CD LYS A 27 -6.385 -5.091 10.261 1.00 2.17 C ATOM 390 CE LYS A 27 -6.010 -3.609 10.406 1.00 2.05 C ATOM 391 NZ LYS A 27 -6.874 -2.891 11.376 1.00 2.86 N ATOM 0 H LYS A 27 -6.152 -4.749 7.225 1.00 1.03 H new ATOM 0 HA LYS A 27 -8.373 -6.652 7.526 1.00 1.07 H new ATOM 0 HB2 LYS A 27 -7.843 -3.749 8.381 1.00 1.37 H new ATOM 0 HB3 LYS A 27 -9.403 -4.517 8.597 1.00 1.37 H new ATOM 0 HG2 LYS A 27 -8.480 -4.925 10.659 1.00 1.49 H new ATOM 0 HG3 LYS A 27 -8.023 -6.393 9.818 1.00 1.49 H new ATOM 0 HD2 LYS A 27 -6.192 -5.600 11.205 1.00 2.17 H new ATOM 0 HD3 LYS A 27 -5.738 -5.550 9.513 1.00 2.17 H new ATOM 0 HE2 LYS A 27 -4.971 -3.531 10.725 1.00 2.05 H new ATOM 0 HE3 LYS A 27 -6.082 -3.123 9.433 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 -6.546 -1.909 11.473 1.00 2.86 H new ATOM 0 HZ2 LYS A 27 -7.857 -2.895 11.035 1.00 2.86 H new ATOM 0 HZ3 LYS A 27 -6.826 -3.365 12.301 1.00 2.86 H new ATOM 405 N VAL A 28 -8.224 -4.840 4.985 1.00 1.26 N ATOM 406 CA VAL A 28 -8.905 -4.327 3.780 1.00 1.52 C ATOM 407 C VAL A 28 -9.626 -5.478 3.080 1.00 1.50 C ATOM 408 O VAL A 28 -8.993 -6.500 2.796 1.00 1.23 O ATOM 409 CB VAL A 28 -7.937 -3.583 2.821 1.00 1.60 C ATOM 410 CG1 VAL A 28 -8.455 -3.430 1.376 1.00 1.72 C ATOM 411 CG2 VAL A 28 -7.622 -2.196 3.402 1.00 1.95 C ATOM 0 H VAL A 28 -7.212 -4.911 4.879 1.00 1.26 H new ATOM 0 HA VAL A 28 -9.639 -3.583 4.091 1.00 1.52 H new ATOM 0 HB VAL A 28 -7.043 -4.203 2.751 1.00 1.60 H new ATOM 0 HG11 VAL A 28 -7.714 -2.899 0.778 1.00 1.72 H new ATOM 0 HG12 VAL A 28 -8.629 -4.416 0.946 1.00 1.72 H new ATOM 0 HG13 VAL A 28 -9.388 -2.867 1.382 1.00 1.72 H new ATOM 0 HG21 VAL A 28 -6.942 -1.667 2.734 1.00 1.95 H new ATOM 0 HG22 VAL A 28 -8.546 -1.626 3.505 1.00 1.95 H new ATOM 0 HG23 VAL A 28 -7.154 -2.309 4.380 1.00 1.95 H new ATOM 421 N PRO A 29 -10.934 -5.343 2.780 1.00 1.90 N ATOM 422 CA PRO A 29 -11.690 -6.415 2.164 1.00 2.09 C ATOM 423 C PRO A 29 -11.058 -6.778 0.821 1.00 2.28 C ATOM 424 O PRO A 29 -10.729 -5.902 0.025 1.00 3.98 O ATOM 425 CB PRO A 29 -13.135 -5.916 2.041 1.00 2.55 C ATOM 426 CG PRO A 29 -12.992 -4.394 2.077 1.00 2.72 C ATOM 427 CD PRO A 29 -11.796 -4.191 3.004 1.00 2.29 C ATOM 0 HA PRO A 29 -11.682 -7.331 2.755 1.00 2.09 H new ATOM 0 HB2 PRO A 29 -13.599 -6.254 1.114 1.00 2.55 H new ATOM 0 HB3 PRO A 29 -13.756 -6.280 2.859 1.00 2.55 H new ATOM 0 HG2 PRO A 29 -12.810 -3.981 1.085 1.00 2.72 H new ATOM 0 HG3 PRO A 29 -13.890 -3.912 2.463 1.00 2.72 H new ATOM 0 HD2 PRO A 29 -11.276 -3.261 2.776 1.00 2.29 H new ATOM 0 HD3 PRO A 29 -12.112 -4.133 4.046 1.00 2.29 H new ATOM 435 N GLY A 30 -10.809 -8.074 0.610 1.00 1.27 N ATOM 436 CA GLY A 30 -10.197 -8.567 -0.625 1.00 1.32 C ATOM 437 C GLY A 30 -8.681 -8.368 -0.733 1.00 1.22 C ATOM 438 O GLY A 30 -8.144 -8.667 -1.796 1.00 1.32 O ATOM 0 H GLY A 30 -11.025 -8.806 1.287 1.00 1.27 H new ATOM 0 HA2 GLY A 30 -10.414 -9.631 -0.718 1.00 1.32 H new ATOM 0 HA3 GLY A 30 -10.673 -8.069 -1.470 1.00 1.32 H new ATOM 442 N VAL A 31 -7.981 -7.904 0.314 1.00 1.13 N ATOM 443 CA VAL A 31 -6.521 -8.121 0.461 1.00 0.96 C ATOM 444 C VAL A 31 -6.251 -9.631 0.354 1.00 1.04 C ATOM 445 O VAL A 31 -6.926 -10.438 0.994 1.00 1.32 O ATOM 446 CB VAL A 31 -5.967 -7.579 1.811 1.00 0.83 C ATOM 447 CG1 VAL A 31 -6.426 -8.350 3.064 1.00 1.03 C ATOM 448 CG2 VAL A 31 -4.428 -7.563 1.787 1.00 0.87 C ATOM 0 H VAL A 31 -8.399 -7.373 1.078 1.00 1.13 H new ATOM 0 HA VAL A 31 -6.009 -7.570 -0.328 1.00 0.96 H new ATOM 0 HB VAL A 31 -6.382 -6.575 1.895 1.00 0.83 H new ATOM 0 HG11 VAL A 31 -5.987 -7.896 3.952 1.00 1.03 H new ATOM 0 HG12 VAL A 31 -7.513 -8.312 3.137 1.00 1.03 H new ATOM 0 HG13 VAL A 31 -6.103 -9.389 2.991 1.00 1.03 H new ATOM 0 HG21 VAL A 31 -4.053 -7.182 2.737 1.00 0.87 H new ATOM 0 HG22 VAL A 31 -4.056 -8.575 1.630 1.00 0.87 H new ATOM 0 HG23 VAL A 31 -4.083 -6.920 0.977 1.00 0.87 H new ATOM 458 N GLN A 32 -5.278 -10.020 -0.465 1.00 0.91 N ATOM 459 CA GLN A 32 -4.779 -11.398 -0.523 1.00 1.02 C ATOM 460 C GLN A 32 -3.442 -11.489 0.237 1.00 1.27 C ATOM 461 O GLN A 32 -3.179 -12.471 0.916 1.00 1.86 O ATOM 462 CB GLN A 32 -4.596 -11.882 -1.976 1.00 0.96 C ATOM 463 CG GLN A 32 -5.489 -11.259 -3.085 1.00 1.85 C ATOM 464 CD GLN A 32 -4.870 -11.428 -4.478 1.00 2.66 C ATOM 465 OE1 GLN A 32 -5.489 -11.770 -5.478 1.00 3.33 O ATOM 466 NE2 GLN A 32 -3.592 -11.154 -4.599 1.00 3.04 N ATOM 0 H GLN A 32 -4.808 -9.387 -1.113 1.00 0.91 H new ATOM 0 HA GLN A 32 -5.519 -12.047 -0.054 1.00 1.02 H new ATOM 0 HB2 GLN A 32 -3.556 -11.711 -2.253 1.00 0.96 H new ATOM 0 HB3 GLN A 32 -4.756 -12.960 -1.989 1.00 0.96 H new ATOM 0 HG2 GLN A 32 -6.473 -11.728 -3.065 1.00 1.85 H new ATOM 0 HG3 GLN A 32 -5.637 -10.199 -2.879 1.00 1.85 H new ATOM 0 HE21 GLN A 32 -3.052 -10.867 -3.782 1.00 3.04 H new ATOM 0 HE22 GLN A 32 -3.138 -11.228 -5.510 1.00 3.04 H new ATOM 475 N SER A 33 -2.617 -10.441 0.150 1.00 0.97 N ATOM 476 CA SER A 33 -1.324 -10.261 0.826 1.00 1.06 C ATOM 477 C SER A 33 -0.745 -8.897 0.424 1.00 0.75 C ATOM 478 O SER A 33 -1.014 -8.422 -0.678 1.00 0.76 O ATOM 479 CB SER A 33 -0.339 -11.391 0.469 1.00 1.39 C ATOM 480 OG SER A 33 0.970 -11.109 0.947 1.00 1.97 O ATOM 0 H SER A 33 -2.849 -9.639 -0.435 1.00 0.97 H new ATOM 0 HA SER A 33 -1.479 -10.298 1.904 1.00 1.06 H new ATOM 0 HB2 SER A 33 -0.690 -12.330 0.897 1.00 1.39 H new ATOM 0 HB3 SER A 33 -0.312 -11.524 -0.613 1.00 1.39 H new ATOM 0 HG SER A 33 1.572 -11.844 0.707 1.00 1.97 H new ATOM 486 N CYS A 34 0.068 -8.265 1.267 1.00 0.65 N ATOM 487 CA CYS A 34 0.736 -6.993 0.994 1.00 0.54 C ATOM 488 C CYS A 34 2.185 -7.066 1.483 1.00 0.63 C ATOM 489 O CYS A 34 2.450 -7.650 2.531 1.00 1.19 O ATOM 490 CB CYS A 34 -0.085 -5.863 1.648 1.00 1.12 C ATOM 491 SG CYS A 34 -0.337 -6.169 3.429 1.00 1.54 S ATOM 0 H CYS A 34 0.288 -8.636 2.191 1.00 0.65 H new ATOM 0 HA CYS A 34 0.785 -6.781 -0.074 1.00 0.54 H new ATOM 0 HB2 CYS A 34 0.428 -4.911 1.510 1.00 1.12 H new ATOM 0 HB3 CYS A 34 -1.052 -5.779 1.151 1.00 1.12 H new ATOM 0 HG CYS A 34 0.607 -6.944 3.874 1.00 1.54 H new ATOM 497 N GLN A 35 3.121 -6.516 0.712 1.00 0.39 N ATOM 498 CA GLN A 35 4.525 -6.420 1.108 1.00 0.46 C ATOM 499 C GLN A 35 5.080 -5.074 0.621 1.00 0.41 C ATOM 500 O GLN A 35 4.900 -4.732 -0.549 1.00 0.49 O ATOM 501 CB GLN A 35 5.366 -7.585 0.531 1.00 0.62 C ATOM 502 CG GLN A 35 4.773 -9.013 0.568 1.00 1.28 C ATOM 503 CD GLN A 35 4.129 -9.436 -0.758 1.00 1.92 C ATOM 504 OE1 GLN A 35 4.808 -9.683 -1.738 1.00 2.81 O ATOM 505 NE2 GLN A 35 2.821 -9.570 -0.885 1.00 2.27 N ATOM 0 H GLN A 35 2.926 -6.123 -0.209 1.00 0.39 H new ATOM 0 HA GLN A 35 4.588 -6.486 2.194 1.00 0.46 H new ATOM 0 HB2 GLN A 35 5.593 -7.347 -0.508 1.00 0.62 H new ATOM 0 HB3 GLN A 35 6.315 -7.606 1.067 1.00 0.62 H new ATOM 0 HG2 GLN A 35 5.562 -9.720 0.823 1.00 1.28 H new ATOM 0 HG3 GLN A 35 4.027 -9.069 1.361 1.00 1.28 H new ATOM 0 HE21 GLN A 35 2.209 -9.375 -0.093 1.00 2.27 H new ATOM 0 HE22 GLN A 35 2.423 -9.869 -1.775 1.00 2.27 H new ATOM 514 N VAL A 36 5.758 -4.326 1.496 1.00 0.42 N ATOM 515 CA VAL A 36 6.440 -3.054 1.208 1.00 0.40 C ATOM 516 C VAL A 36 7.942 -3.218 1.467 1.00 0.47 C ATOM 517 O VAL A 36 8.346 -3.733 2.508 1.00 0.55 O ATOM 518 CB VAL A 36 5.882 -1.896 2.079 1.00 0.60 C ATOM 519 CG1 VAL A 36 6.581 -0.550 1.797 1.00 2.22 C ATOM 520 CG2 VAL A 36 4.369 -1.695 1.869 1.00 2.22 C ATOM 0 H VAL A 36 5.853 -4.602 2.473 1.00 0.42 H new ATOM 0 HA VAL A 36 6.263 -2.799 0.163 1.00 0.40 H new ATOM 0 HB VAL A 36 6.080 -2.197 3.108 1.00 0.60 H new ATOM 0 HG11 VAL A 36 6.151 0.224 2.433 1.00 2.22 H new ATOM 0 HG12 VAL A 36 7.647 -0.642 2.007 1.00 2.22 H new ATOM 0 HG13 VAL A 36 6.440 -0.279 0.751 1.00 2.22 H new ATOM 0 HG21 VAL A 36 4.020 -0.875 2.497 1.00 2.22 H new ATOM 0 HG22 VAL A 36 4.175 -1.458 0.823 1.00 2.22 H new ATOM 0 HG23 VAL A 36 3.840 -2.609 2.138 1.00 2.22 H new ATOM 530 N ASN A 37 8.782 -2.744 0.540 1.00 0.59 N ATOM 531 CA ASN A 37 10.228 -2.651 0.757 1.00 0.55 C ATOM 532 C ASN A 37 10.633 -1.190 1.012 1.00 0.62 C ATOM 533 O ASN A 37 10.814 -0.404 0.077 1.00 0.74 O ATOM 534 CB ASN A 37 11.003 -3.257 -0.421 1.00 0.65 C ATOM 535 CG ASN A 37 12.494 -3.315 -0.107 1.00 0.74 C ATOM 536 OD1 ASN A 37 13.202 -2.335 -0.287 1.00 0.96 O ATOM 537 ND2 ASN A 37 13.009 -4.423 0.391 1.00 1.37 N ATOM 0 H ASN A 37 8.479 -2.416 -0.377 1.00 0.59 H new ATOM 0 HA ASN A 37 10.486 -3.232 1.642 1.00 0.55 H new ATOM 0 HB2 ASN A 37 10.631 -4.260 -0.632 1.00 0.65 H new ATOM 0 HB3 ASN A 37 10.837 -2.660 -1.318 1.00 0.65 H new ATOM 0 HD21 ASN A 37 14.001 -4.463 0.627 1.00 1.37 H new ATOM 0 HD22 ASN A 37 12.416 -5.239 0.540 1.00 1.37 H new ATOM 544 N PHE A 38 10.835 -0.837 2.285 1.00 0.63 N ATOM 545 CA PHE A 38 11.228 0.508 2.713 1.00 0.77 C ATOM 546 C PHE A 38 12.733 0.793 2.483 1.00 0.83 C ATOM 547 O PHE A 38 13.443 1.240 3.378 1.00 0.97 O ATOM 548 CB PHE A 38 10.751 0.730 4.162 1.00 0.87 C ATOM 549 CG PHE A 38 10.676 2.166 4.671 1.00 1.16 C ATOM 550 CD1 PHE A 38 10.934 3.282 3.844 1.00 2.44 C ATOM 551 CD2 PHE A 38 10.308 2.379 6.014 1.00 1.79 C ATOM 552 CE1 PHE A 38 10.820 4.586 4.355 1.00 2.99 C ATOM 553 CE2 PHE A 38 10.201 3.684 6.527 1.00 2.49 C ATOM 554 CZ PHE A 38 10.460 4.787 5.696 1.00 2.71 C ATOM 0 H PHE A 38 10.728 -1.490 3.061 1.00 0.63 H new ATOM 0 HA PHE A 38 10.733 1.249 2.086 1.00 0.77 H new ATOM 0 HB2 PHE A 38 9.760 0.287 4.261 1.00 0.87 H new ATOM 0 HB3 PHE A 38 11.416 0.174 4.823 1.00 0.87 H new ATOM 0 HD1 PHE A 38 11.220 3.132 2.814 1.00 2.44 H new ATOM 0 HD2 PHE A 38 10.106 1.533 6.655 1.00 1.79 H new ATOM 0 HE1 PHE A 38 11.010 5.435 3.715 1.00 2.99 H new ATOM 0 HE2 PHE A 38 9.920 3.838 7.558 1.00 2.49 H new ATOM 0 HZ PHE A 38 10.382 5.790 6.090 1.00 2.71 H new ATOM 564 N ALA A 39 13.218 0.527 1.267 1.00 0.83 N ATOM 565 CA ALA A 39 14.548 0.899 0.773 1.00 0.91 C ATOM 566 C ALA A 39 14.554 1.111 -0.754 1.00 0.94 C ATOM 567 O ALA A 39 15.263 1.982 -1.244 1.00 1.10 O ATOM 568 CB ALA A 39 15.559 -0.176 1.198 1.00 0.92 C ATOM 0 H ALA A 39 12.670 0.024 0.569 1.00 0.83 H new ATOM 0 HA ALA A 39 14.834 1.854 1.214 1.00 0.91 H new ATOM 0 HB1 ALA A 39 16.551 0.093 0.834 1.00 0.92 H new ATOM 0 HB2 ALA A 39 15.578 -0.248 2.285 1.00 0.92 H new ATOM 0 HB3 ALA A 39 15.267 -1.138 0.776 1.00 0.92 H new ATOM 574 N LEU A 40 13.734 0.359 -1.503 1.00 0.87 N ATOM 575 CA LEU A 40 13.559 0.444 -2.946 1.00 0.91 C ATOM 576 C LEU A 40 12.089 0.823 -3.301 1.00 0.87 C ATOM 577 O LEU A 40 11.586 0.543 -4.382 1.00 0.99 O ATOM 578 CB LEU A 40 14.129 -0.914 -3.427 1.00 0.92 C ATOM 579 CG LEU A 40 13.745 -1.413 -4.812 1.00 0.95 C ATOM 580 CD1 LEU A 40 14.143 -0.454 -5.946 1.00 1.08 C ATOM 581 CD2 LEU A 40 14.376 -2.790 -5.070 1.00 0.96 C ATOM 0 H LEU A 40 13.146 -0.363 -1.087 1.00 0.87 H new ATOM 0 HA LEU A 40 14.084 1.243 -3.469 1.00 0.91 H new ATOM 0 HB2 LEU A 40 15.216 -0.850 -3.388 1.00 0.92 H new ATOM 0 HB3 LEU A 40 13.828 -1.674 -2.706 1.00 0.92 H new ATOM 0 HG LEU A 40 12.657 -1.479 -4.818 1.00 0.95 H new ATOM 0 HD11 LEU A 40 13.837 -0.876 -6.903 1.00 1.08 H new ATOM 0 HD12 LEU A 40 13.650 0.507 -5.799 1.00 1.08 H new ATOM 0 HD13 LEU A 40 15.224 -0.312 -5.940 1.00 1.08 H new ATOM 0 HD21 LEU A 40 14.095 -3.138 -6.064 1.00 0.96 H new ATOM 0 HD22 LEU A 40 15.461 -2.711 -5.007 1.00 0.96 H new ATOM 0 HD23 LEU A 40 14.020 -3.499 -4.323 1.00 0.96 H new ATOM 593 N GLU A 41 11.366 1.431 -2.356 1.00 0.80 N ATOM 594 CA GLU A 41 10.051 2.083 -2.502 1.00 0.80 C ATOM 595 C GLU A 41 8.857 1.196 -2.923 1.00 0.73 C ATOM 596 O GLU A 41 7.737 1.697 -2.951 1.00 0.75 O ATOM 597 CB GLU A 41 10.116 3.281 -3.470 1.00 1.00 C ATOM 598 CG GLU A 41 11.057 4.434 -3.087 1.00 1.17 C ATOM 599 CD GLU A 41 10.846 5.643 -4.009 1.00 1.43 C ATOM 600 OE1 GLU A 41 10.214 5.479 -5.082 1.00 2.42 O ATOM 601 OE2 GLU A 41 11.318 6.754 -3.685 1.00 1.87 O ATOM 0 H GLU A 41 11.705 1.487 -1.396 1.00 0.80 H new ATOM 0 HA GLU A 41 9.845 2.389 -1.476 1.00 0.80 H new ATOM 0 HB2 GLU A 41 10.416 2.910 -4.450 1.00 1.00 H new ATOM 0 HB3 GLU A 41 9.110 3.686 -3.577 1.00 1.00 H new ATOM 0 HG2 GLU A 41 10.879 4.726 -2.052 1.00 1.17 H new ATOM 0 HG3 GLU A 41 12.093 4.100 -3.150 1.00 1.17 H new ATOM 608 N GLN A 42 9.027 -0.075 -3.307 1.00 0.71 N ATOM 609 CA GLN A 42 7.897 -0.880 -3.802 1.00 0.72 C ATOM 610 C GLN A 42 6.887 -1.230 -2.701 1.00 0.63 C ATOM 611 O GLN A 42 7.268 -1.435 -1.548 1.00 0.54 O ATOM 612 CB GLN A 42 8.365 -2.124 -4.565 1.00 0.69 C ATOM 613 CG GLN A 42 8.799 -3.274 -3.635 1.00 0.56 C ATOM 614 CD GLN A 42 10.050 -3.978 -4.122 1.00 0.77 C ATOM 615 OE1 GLN A 42 10.025 -5.007 -4.765 1.00 1.73 O ATOM 616 NE2 GLN A 42 11.215 -3.443 -3.836 1.00 1.00 N ATOM 0 H GLN A 42 9.921 -0.565 -3.286 1.00 0.71 H new ATOM 0 HA GLN A 42 7.366 -0.248 -4.514 1.00 0.72 H new ATOM 0 HB2 GLN A 42 7.559 -2.471 -5.211 1.00 0.69 H new ATOM 0 HB3 GLN A 42 9.199 -1.854 -5.213 1.00 0.69 H new ATOM 0 HG2 GLN A 42 8.975 -2.880 -2.634 1.00 0.56 H new ATOM 0 HG3 GLN A 42 7.988 -3.997 -3.555 1.00 0.56 H new ATOM 0 HE21 GLN A 42 11.261 -2.578 -3.297 1.00 1.00 H new ATOM 0 HE22 GLN A 42 12.074 -3.892 -4.153 1.00 1.00 H new ATOM 625 N ALA A 43 5.613 -1.354 -3.085 1.00 0.67 N ATOM 626 CA ALA A 43 4.496 -1.716 -2.209 1.00 0.63 C ATOM 627 C ALA A 43 3.530 -2.671 -2.922 1.00 1.20 C ATOM 628 O ALA A 43 2.488 -2.262 -3.437 1.00 2.38 O ATOM 629 CB ALA A 43 3.815 -0.426 -1.722 1.00 0.61 C ATOM 0 H ALA A 43 5.321 -1.199 -4.050 1.00 0.67 H new ATOM 0 HA ALA A 43 4.859 -2.258 -1.336 1.00 0.63 H new ATOM 0 HB1 ALA A 43 2.981 -0.680 -1.068 1.00 0.61 H new ATOM 0 HB2 ALA A 43 4.535 0.181 -1.173 1.00 0.61 H new ATOM 0 HB3 ALA A 43 3.446 0.137 -2.580 1.00 0.61 H new ATOM 635 N VAL A 44 3.871 -3.959 -2.952 1.00 0.44 N ATOM 636 CA VAL A 44 3.086 -4.950 -3.673 1.00 0.49 C ATOM 637 C VAL A 44 1.932 -5.361 -2.782 1.00 0.53 C ATOM 638 O VAL A 44 1.965 -6.370 -2.079 1.00 0.75 O ATOM 639 CB VAL A 44 3.908 -6.120 -4.251 1.00 0.55 C ATOM 640 CG1 VAL A 44 4.849 -6.795 -3.245 1.00 0.51 C ATOM 641 CG2 VAL A 44 3.020 -7.148 -4.977 1.00 0.72 C ATOM 0 H VAL A 44 4.692 -4.338 -2.481 1.00 0.44 H new ATOM 0 HA VAL A 44 2.687 -4.502 -4.583 1.00 0.49 H new ATOM 0 HB VAL A 44 4.563 -5.659 -4.990 1.00 0.55 H new ATOM 0 HG11 VAL A 44 5.387 -7.606 -3.737 1.00 0.51 H new ATOM 0 HG12 VAL A 44 5.563 -6.063 -2.867 1.00 0.51 H new ATOM 0 HG13 VAL A 44 4.267 -7.197 -2.415 1.00 0.51 H new ATOM 0 HG21 VAL A 44 3.641 -7.954 -5.368 1.00 0.72 H new ATOM 0 HG22 VAL A 44 2.292 -7.558 -4.277 1.00 0.72 H new ATOM 0 HG23 VAL A 44 2.498 -6.661 -5.800 1.00 0.72 H new ATOM 651 N VAL A 45 0.888 -4.537 -2.822 1.00 1.15 N ATOM 652 CA VAL A 45 -0.423 -5.006 -2.390 1.00 1.05 C ATOM 653 C VAL A 45 -0.941 -5.935 -3.473 1.00 0.80 C ATOM 654 O VAL A 45 -0.827 -5.685 -4.676 1.00 0.93 O ATOM 655 CB VAL A 45 -1.461 -3.908 -2.076 1.00 1.09 C ATOM 656 CG1 VAL A 45 -2.705 -4.483 -1.379 1.00 1.39 C ATOM 657 CG2 VAL A 45 -0.854 -2.818 -1.179 1.00 1.63 C ATOM 0 H VAL A 45 0.921 -3.568 -3.140 1.00 1.15 H new ATOM 0 HA VAL A 45 -0.287 -5.507 -1.431 1.00 1.05 H new ATOM 0 HB VAL A 45 -1.758 -3.477 -3.032 1.00 1.09 H new ATOM 0 HG11 VAL A 45 -3.412 -3.679 -1.175 1.00 1.39 H new ATOM 0 HG12 VAL A 45 -3.175 -5.224 -2.026 1.00 1.39 H new ATOM 0 HG13 VAL A 45 -2.411 -4.955 -0.441 1.00 1.39 H new ATOM 0 HG21 VAL A 45 -1.606 -2.056 -0.973 1.00 1.63 H new ATOM 0 HG22 VAL A 45 -0.521 -3.262 -0.241 1.00 1.63 H new ATOM 0 HG23 VAL A 45 -0.004 -2.361 -1.686 1.00 1.63 H new ATOM 667 N SER A 46 -1.516 -7.032 -3.021 1.00 1.03 N ATOM 668 CA SER A 46 -2.158 -8.018 -3.861 1.00 1.22 C ATOM 669 C SER A 46 -3.608 -8.166 -3.381 1.00 0.83 C ATOM 670 O SER A 46 -3.853 -8.332 -2.181 1.00 0.54 O ATOM 671 CB SER A 46 -1.286 -9.281 -3.827 1.00 2.28 C ATOM 672 OG SER A 46 -1.533 -10.081 -2.695 1.00 3.86 O ATOM 0 H SER A 46 -1.549 -7.267 -2.029 1.00 1.03 H new ATOM 0 HA SER A 46 -2.235 -7.746 -4.914 1.00 1.22 H new ATOM 0 HB2 SER A 46 -1.467 -9.867 -4.728 1.00 2.28 H new ATOM 0 HB3 SER A 46 -0.235 -8.992 -3.841 1.00 2.28 H new ATOM 0 HG SER A 46 -1.414 -9.545 -1.883 1.00 3.86 H new ATOM 678 N TYR A 47 -4.576 -7.974 -4.288 1.00 1.53 N ATOM 679 CA TYR A 47 -5.925 -7.495 -3.947 1.00 1.82 C ATOM 680 C TYR A 47 -6.996 -7.721 -5.033 1.00 2.52 C ATOM 681 O TYR A 47 -6.695 -7.909 -6.208 1.00 4.60 O ATOM 682 CB TYR A 47 -5.863 -5.996 -3.599 1.00 2.13 C ATOM 683 CG TYR A 47 -5.466 -5.097 -4.760 1.00 2.81 C ATOM 684 CD1 TYR A 47 -4.110 -4.919 -5.086 1.00 2.66 C ATOM 685 CD2 TYR A 47 -6.449 -4.440 -5.520 1.00 4.36 C ATOM 686 CE1 TYR A 47 -3.731 -4.101 -6.166 1.00 3.33 C ATOM 687 CE2 TYR A 47 -6.087 -3.631 -6.614 1.00 5.22 C ATOM 688 CZ TYR A 47 -4.721 -3.455 -6.939 1.00 4.48 C ATOM 689 OH TYR A 47 -4.357 -2.653 -7.978 1.00 5.31 O ATOM 0 H TYR A 47 -4.445 -8.147 -5.285 1.00 1.53 H new ATOM 0 HA TYR A 47 -6.240 -8.097 -3.094 1.00 1.82 H new ATOM 0 HB2 TYR A 47 -6.838 -5.681 -3.229 1.00 2.13 H new ATOM 0 HB3 TYR A 47 -5.152 -5.854 -2.785 1.00 2.13 H new ATOM 0 HD1 TYR A 47 -3.351 -5.416 -4.501 1.00 2.66 H new ATOM 0 HD2 TYR A 47 -7.491 -4.557 -5.263 1.00 4.36 H new ATOM 0 HE1 TYR A 47 -2.686 -3.967 -6.403 1.00 3.33 H new ATOM 0 HE2 TYR A 47 -6.850 -3.146 -7.204 1.00 5.22 H new ATOM 0 HH TYR A 47 -5.159 -2.287 -8.406 1.00 5.31 H new ATOM 699 N HIS A 48 -8.263 -7.617 -4.631 1.00 1.11 N ATOM 700 CA HIS A 48 -9.477 -7.616 -5.462 1.00 1.34 C ATOM 701 C HIS A 48 -9.436 -6.800 -6.783 1.00 2.18 C ATOM 702 O HIS A 48 -8.727 -5.807 -6.942 1.00 3.59 O ATOM 703 CB HIS A 48 -10.654 -7.187 -4.578 1.00 3.02 C ATOM 704 CG HIS A 48 -10.422 -5.823 -4.007 1.00 3.79 C ATOM 705 ND1 HIS A 48 -10.569 -4.642 -4.724 1.00 3.30 N ATOM 706 CD2 HIS A 48 -9.703 -5.578 -2.875 1.00 4.92 C ATOM 707 CE1 HIS A 48 -9.955 -3.708 -3.989 1.00 4.02 C ATOM 708 NE2 HIS A 48 -9.447 -4.230 -2.858 1.00 5.08 N ATOM 0 H HIS A 48 -8.489 -7.524 -3.641 1.00 1.11 H new ATOM 0 HA HIS A 48 -9.583 -8.636 -5.831 1.00 1.34 H new ATOM 0 HB2 HIS A 48 -11.574 -7.189 -5.163 1.00 3.02 H new ATOM 0 HB3 HIS A 48 -10.789 -7.906 -3.770 1.00 3.02 H new ATOM 0 HD2 HIS A 48 -9.395 -6.303 -2.136 1.00 4.92 H new ATOM 0 HE1 HIS A 48 -9.877 -2.668 -4.268 1.00 4.02 H new ATOM 0 HE2 HIS A 48 -8.961 -3.718 -2.122 1.00 5.08 H new ATOM 716 N GLY A 49 -10.234 -7.254 -7.759 1.00 3.23 N ATOM 717 CA GLY A 49 -10.301 -6.700 -9.122 1.00 5.08 C ATOM 718 C GLY A 49 -11.555 -5.874 -9.409 1.00 4.96 C ATOM 719 O GLY A 49 -11.869 -5.658 -10.575 1.00 5.85 O ATOM 0 H GLY A 49 -10.870 -8.039 -7.620 1.00 3.23 H new ATOM 0 HA2 GLY A 49 -9.424 -6.076 -9.290 1.00 5.08 H new ATOM 0 HA3 GLY A 49 -10.250 -7.521 -9.837 1.00 5.08 H new ATOM 723 N GLU A 50 -12.293 -5.442 -8.384 1.00 4.23 N ATOM 724 CA GLU A 50 -13.668 -4.927 -8.489 1.00 4.03 C ATOM 725 C GLU A 50 -13.731 -3.446 -8.919 1.00 4.13 C ATOM 726 O GLU A 50 -14.411 -2.622 -8.311 1.00 4.42 O ATOM 727 CB GLU A 50 -14.413 -5.230 -7.174 1.00 4.07 C ATOM 728 CG GLU A 50 -14.646 -6.742 -7.025 1.00 3.86 C ATOM 729 CD GLU A 50 -15.108 -7.103 -5.618 1.00 3.65 C ATOM 730 OE1 GLU A 50 -16.336 -7.103 -5.394 1.00 3.70 O ATOM 731 OE2 GLU A 50 -14.210 -7.394 -4.798 1.00 4.56 O ATOM 0 H GLU A 50 -11.943 -5.439 -7.426 1.00 4.23 H new ATOM 0 HA GLU A 50 -14.182 -5.445 -9.299 1.00 4.03 H new ATOM 0 HB2 GLU A 50 -13.835 -4.860 -6.328 1.00 4.07 H new ATOM 0 HB3 GLU A 50 -15.368 -4.706 -7.161 1.00 4.07 H new ATOM 0 HG2 GLU A 50 -15.393 -7.069 -7.749 1.00 3.86 H new ATOM 0 HG3 GLU A 50 -13.724 -7.277 -7.254 1.00 3.86 H new ATOM 738 N THR A 51 -12.995 -3.091 -9.983 1.00 4.84 N ATOM 739 CA THR A 51 -12.977 -1.784 -10.680 1.00 5.20 C ATOM 740 C THR A 51 -12.205 -0.725 -9.897 1.00 4.96 C ATOM 741 O THR A 51 -11.320 -0.090 -10.467 1.00 6.33 O ATOM 742 CB THR A 51 -14.386 -1.268 -11.025 1.00 5.76 C ATOM 743 OG1 THR A 51 -15.129 -2.303 -11.623 1.00 5.75 O ATOM 744 CG2 THR A 51 -14.339 -0.111 -12.024 1.00 7.54 C ATOM 0 H THR A 51 -12.349 -3.752 -10.414 1.00 4.84 H new ATOM 0 HA THR A 51 -12.455 -1.965 -11.620 1.00 5.20 H new ATOM 0 HB THR A 51 -14.841 -0.926 -10.095 1.00 5.76 H new ATOM 0 HG1 THR A 51 -16.027 -1.977 -11.842 1.00 5.75 H new ATOM 0 HG21 THR A 51 -15.353 0.224 -12.241 1.00 7.54 H new ATOM 0 HG22 THR A 51 -13.768 0.714 -11.599 1.00 7.54 H new ATOM 0 HG23 THR A 51 -13.862 -0.445 -12.946 1.00 7.54 H new ATOM 752 N THR A 52 -12.529 -0.519 -8.612 1.00 3.66 N ATOM 753 CA THR A 52 -11.952 0.543 -7.777 1.00 3.58 C ATOM 754 C THR A 52 -10.847 0.006 -6.853 1.00 2.02 C ATOM 755 O THR A 52 -11.131 -0.755 -5.929 1.00 1.97 O ATOM 756 CB THR A 52 -13.045 1.314 -7.027 1.00 4.78 C ATOM 757 OG1 THR A 52 -12.399 2.328 -6.299 1.00 6.22 O ATOM 758 CG2 THR A 52 -13.928 0.506 -6.070 1.00 5.11 C ATOM 0 H THR A 52 -13.210 -1.095 -8.117 1.00 3.66 H new ATOM 0 HA THR A 52 -11.464 1.262 -8.435 1.00 3.58 H new ATOM 0 HB THR A 52 -13.739 1.673 -7.787 1.00 4.78 H new ATOM 0 HG1 THR A 52 -12.733 3.202 -6.589 1.00 6.22 H new ATOM 0 HG21 THR A 52 -14.659 1.167 -5.604 1.00 5.11 H new ATOM 0 HG22 THR A 52 -14.447 -0.275 -6.626 1.00 5.11 H new ATOM 0 HG23 THR A 52 -13.307 0.051 -5.299 1.00 5.11 H new ATOM 766 N PRO A 53 -9.580 0.435 -7.017 1.00 3.14 N ATOM 767 CA PRO A 53 -8.506 0.115 -6.079 1.00 3.59 C ATOM 768 C PRO A 53 -8.543 1.015 -4.827 1.00 2.38 C ATOM 769 O PRO A 53 -7.572 1.058 -4.073 1.00 2.43 O ATOM 770 CB PRO A 53 -7.222 0.304 -6.897 1.00 5.94 C ATOM 771 CG PRO A 53 -7.578 1.477 -7.808 1.00 6.51 C ATOM 772 CD PRO A 53 -9.054 1.231 -8.122 1.00 5.38 C ATOM 0 HA PRO A 53 -8.591 -0.897 -5.682 1.00 3.59 H new ATOM 0 HB2 PRO A 53 -6.366 0.530 -6.261 1.00 5.94 H new ATOM 0 HB3 PRO A 53 -6.969 -0.590 -7.467 1.00 5.94 H new ATOM 0 HG2 PRO A 53 -7.425 2.435 -7.311 1.00 6.51 H new ATOM 0 HG3 PRO A 53 -6.969 1.486 -8.712 1.00 6.51 H new ATOM 0 HD2 PRO A 53 -9.594 2.173 -8.214 1.00 5.38 H new ATOM 0 HD3 PRO A 53 -9.168 0.704 -9.069 1.00 5.38 H new ATOM 780 N GLN A 54 -9.622 1.776 -4.599 1.00 1.85 N ATOM 781 CA GLN A 54 -9.590 2.882 -3.644 1.00 1.77 C ATOM 782 C GLN A 54 -9.460 2.464 -2.177 1.00 1.91 C ATOM 783 O GLN A 54 -9.135 3.310 -1.365 1.00 2.49 O ATOM 784 CB GLN A 54 -10.770 3.834 -3.847 1.00 2.17 C ATOM 785 CG GLN A 54 -12.087 3.329 -3.243 1.00 4.03 C ATOM 786 CD GLN A 54 -13.221 4.230 -3.694 1.00 4.65 C ATOM 787 OE1 GLN A 54 -13.891 3.948 -4.674 1.00 4.77 O ATOM 788 NE2 GLN A 54 -13.437 5.363 -3.058 1.00 5.45 N ATOM 0 H GLN A 54 -10.521 1.644 -5.062 1.00 1.85 H new ATOM 0 HA GLN A 54 -8.665 3.414 -3.869 1.00 1.77 H new ATOM 0 HB2 GLN A 54 -10.525 4.800 -3.405 1.00 2.17 H new ATOM 0 HB3 GLN A 54 -10.911 3.999 -4.915 1.00 2.17 H new ATOM 0 HG2 GLN A 54 -12.275 2.303 -3.558 1.00 4.03 H new ATOM 0 HG3 GLN A 54 -12.023 3.322 -2.155 1.00 4.03 H new ATOM 0 HE21 GLN A 54 -12.879 5.602 -2.238 1.00 5.45 H new ATOM 0 HE22 GLN A 54 -14.162 6.001 -3.385 1.00 5.45 H new ATOM 797 N ILE A 55 -9.710 1.211 -1.791 1.00 1.86 N ATOM 798 CA ILE A 55 -9.685 0.794 -0.379 1.00 2.07 C ATOM 799 C ILE A 55 -8.252 0.458 0.084 1.00 2.26 C ATOM 800 O ILE A 55 -7.856 0.752 1.208 1.00 2.44 O ATOM 801 CB ILE A 55 -10.674 -0.375 -0.187 1.00 2.17 C ATOM 802 CG1 ILE A 55 -12.075 -0.161 -0.824 1.00 2.59 C ATOM 803 CG2 ILE A 55 -10.881 -0.595 1.321 1.00 2.44 C ATOM 804 CD1 ILE A 55 -12.208 -0.669 -2.269 1.00 3.92 C ATOM 0 H ILE A 55 -9.935 0.457 -2.441 1.00 1.86 H new ATOM 0 HA ILE A 55 -10.008 1.618 0.257 1.00 2.07 H new ATOM 0 HB ILE A 55 -10.225 -1.229 -0.694 1.00 2.17 H new ATOM 0 HG12 ILE A 55 -12.820 -0.663 -0.207 1.00 2.59 H new ATOM 0 HG13 ILE A 55 -12.309 0.903 -0.804 1.00 2.59 H new ATOM 0 HG21 ILE A 55 -11.578 -1.419 1.476 1.00 2.44 H new ATOM 0 HG22 ILE A 55 -9.926 -0.835 1.788 1.00 2.44 H new ATOM 0 HG23 ILE A 55 -11.286 0.312 1.769 1.00 2.44 H new ATOM 0 HD11 ILE A 55 -13.218 -0.477 -2.631 1.00 3.92 H new ATOM 0 HD12 ILE A 55 -11.491 -0.150 -2.905 1.00 3.92 H new ATOM 0 HD13 ILE A 55 -12.010 -1.740 -2.298 1.00 3.92 H new ATOM 816 N LEU A 56 -7.423 -0.065 -0.825 1.00 2.39 N ATOM 817 CA LEU A 56 -5.966 -0.046 -0.657 1.00 2.64 C ATOM 818 C LEU A 56 -5.357 1.330 -0.979 1.00 2.11 C ATOM 819 O LEU A 56 -4.185 1.549 -0.684 1.00 2.01 O ATOM 820 CB LEU A 56 -5.287 -1.200 -1.418 1.00 3.51 C ATOM 821 CG LEU A 56 -5.408 -1.157 -2.954 1.00 3.70 C ATOM 822 CD1 LEU A 56 -4.179 -1.803 -3.600 1.00 4.40 C ATOM 823 CD2 LEU A 56 -6.675 -1.881 -3.436 1.00 4.29 C ATOM 0 H LEU A 56 -7.738 -0.508 -1.688 1.00 2.39 H new ATOM 0 HA LEU A 56 -5.763 -0.217 0.400 1.00 2.64 H new ATOM 0 HB2 LEU A 56 -4.229 -1.209 -1.156 1.00 3.51 H new ATOM 0 HB3 LEU A 56 -5.710 -2.141 -1.066 1.00 3.51 H new ATOM 0 HG LEU A 56 -5.472 -0.110 -3.251 1.00 3.70 H new ATOM 0 HD11 LEU A 56 -4.277 -1.766 -4.685 1.00 4.40 H new ATOM 0 HD12 LEU A 56 -3.282 -1.262 -3.298 1.00 4.40 H new ATOM 0 HD13 LEU A 56 -4.102 -2.841 -3.278 1.00 4.40 H new ATOM 0 HD21 LEU A 56 -6.730 -1.832 -4.524 1.00 4.29 H new ATOM 0 HD22 LEU A 56 -6.640 -2.924 -3.121 1.00 4.29 H new ATOM 0 HD23 LEU A 56 -7.554 -1.401 -3.006 1.00 4.29 H new ATOM 835 N THR A 57 -6.121 2.266 -1.564 1.00 1.98 N ATOM 836 CA THR A 57 -5.711 3.682 -1.617 1.00 1.84 C ATOM 837 C THR A 57 -5.921 4.314 -0.245 1.00 1.77 C ATOM 838 O THR A 57 -4.942 4.716 0.367 1.00 1.69 O ATOM 839 CB THR A 57 -6.385 4.472 -2.738 1.00 2.21 C ATOM 840 OG1 THR A 57 -6.230 3.760 -3.947 1.00 2.57 O ATOM 841 CG2 THR A 57 -5.743 5.846 -2.930 1.00 2.21 C ATOM 0 H THR A 57 -7.020 2.072 -2.005 1.00 1.98 H new ATOM 0 HA THR A 57 -4.651 3.717 -1.867 1.00 1.84 H new ATOM 0 HB THR A 57 -7.433 4.604 -2.470 1.00 2.21 H new ATOM 0 HG1 THR A 57 -6.644 2.876 -3.861 1.00 2.57 H new ATOM 0 HG21 THR A 57 -6.251 6.376 -3.736 1.00 2.21 H new ATOM 0 HG22 THR A 57 -5.829 6.420 -2.007 1.00 2.21 H new ATOM 0 HG23 THR A 57 -4.690 5.723 -3.184 1.00 2.21 H new ATOM 849 N ASP A 58 -7.141 4.302 0.293 1.00 1.85 N ATOM 850 CA ASP A 58 -7.486 4.726 1.662 1.00 1.95 C ATOM 851 C ASP A 58 -6.444 4.264 2.698 1.00 1.75 C ATOM 852 O ASP A 58 -5.898 5.070 3.449 1.00 1.67 O ATOM 853 CB ASP A 58 -8.889 4.175 1.971 1.00 2.11 C ATOM 854 CG ASP A 58 -9.358 4.444 3.406 1.00 2.72 C ATOM 855 OD1 ASP A 58 -9.969 5.513 3.624 1.00 2.51 O ATOM 856 OD2 ASP A 58 -9.145 3.543 4.250 1.00 4.22 O ATOM 0 H ASP A 58 -7.956 3.984 -0.232 1.00 1.85 H new ATOM 0 HA ASP A 58 -7.485 5.814 1.726 1.00 1.95 H new ATOM 0 HB2 ASP A 58 -9.604 4.617 1.276 1.00 2.11 H new ATOM 0 HB3 ASP A 58 -8.894 3.100 1.793 1.00 2.11 H new ATOM 861 N ALA A 59 -6.051 2.990 2.649 1.00 1.68 N ATOM 862 CA ALA A 59 -5.045 2.442 3.550 1.00 1.52 C ATOM 863 C ALA A 59 -3.571 2.855 3.308 1.00 1.37 C ATOM 864 O ALA A 59 -2.729 2.530 4.150 1.00 1.35 O ATOM 865 CB ALA A 59 -5.276 0.934 3.601 1.00 1.66 C ATOM 0 H ALA A 59 -6.423 2.313 1.983 1.00 1.68 H new ATOM 0 HA ALA A 59 -5.190 2.898 4.529 1.00 1.52 H new ATOM 0 HB1 ALA A 59 -4.544 0.476 4.266 1.00 1.66 H new ATOM 0 HB2 ALA A 59 -6.280 0.732 3.973 1.00 1.66 H new ATOM 0 HB3 ALA A 59 -5.169 0.515 2.600 1.00 1.66 H new ATOM 871 N VAL A 60 -3.259 3.609 2.246 1.00 1.35 N ATOM 872 CA VAL A 60 -2.025 4.422 2.136 1.00 1.25 C ATOM 873 C VAL A 60 -2.237 5.897 2.499 1.00 1.20 C ATOM 874 O VAL A 60 -1.351 6.496 3.110 1.00 1.07 O ATOM 875 CB VAL A 60 -1.316 4.351 0.763 1.00 1.30 C ATOM 876 CG1 VAL A 60 -0.845 2.915 0.482 1.00 2.48 C ATOM 877 CG2 VAL A 60 -2.054 4.863 -0.481 1.00 1.89 C ATOM 0 H VAL A 60 -3.860 3.677 1.424 1.00 1.35 H new ATOM 0 HA VAL A 60 -1.371 3.954 2.872 1.00 1.25 H new ATOM 0 HB VAL A 60 -0.503 5.064 0.899 1.00 1.30 H new ATOM 0 HG11 VAL A 60 -0.348 2.878 -0.487 1.00 2.48 H new ATOM 0 HG12 VAL A 60 -0.148 2.602 1.260 1.00 2.48 H new ATOM 0 HG13 VAL A 60 -1.705 2.245 0.474 1.00 2.48 H new ATOM 0 HG21 VAL A 60 -1.418 4.741 -1.358 1.00 1.89 H new ATOM 0 HG22 VAL A 60 -2.974 4.294 -0.618 1.00 1.89 H new ATOM 0 HG23 VAL A 60 -2.296 5.918 -0.352 1.00 1.89 H new ATOM 887 N GLU A 61 -3.411 6.457 2.192 1.00 1.31 N ATOM 888 CA GLU A 61 -3.820 7.827 2.579 1.00 1.39 C ATOM 889 C GLU A 61 -3.686 7.968 4.106 1.00 1.18 C ATOM 890 O GLU A 61 -3.003 8.860 4.610 1.00 1.11 O ATOM 891 CB GLU A 61 -5.277 8.130 2.161 1.00 1.80 C ATOM 892 CG GLU A 61 -5.600 8.014 0.660 1.00 2.46 C ATOM 893 CD GLU A 61 -5.215 9.216 -0.196 1.00 2.43 C ATOM 894 OE1 GLU A 61 -4.876 10.294 0.344 1.00 2.80 O ATOM 895 OE2 GLU A 61 -5.195 9.055 -1.438 1.00 3.17 O ATOM 0 H GLU A 61 -4.126 5.966 1.655 1.00 1.31 H new ATOM 0 HA GLU A 61 -3.173 8.538 2.065 1.00 1.39 H new ATOM 0 HB2 GLU A 61 -5.936 7.453 2.705 1.00 1.80 H new ATOM 0 HB3 GLU A 61 -5.522 9.142 2.485 1.00 1.80 H new ATOM 0 HG2 GLU A 61 -5.093 7.133 0.265 1.00 2.46 H new ATOM 0 HG3 GLU A 61 -6.671 7.841 0.550 1.00 2.46 H new ATOM 902 N ARG A 62 -4.188 6.945 4.811 1.00 1.17 N ATOM 903 CA ARG A 62 -3.931 6.514 6.192 1.00 1.15 C ATOM 904 C ARG A 62 -2.538 6.818 6.763 1.00 0.95 C ATOM 905 O ARG A 62 -2.396 6.848 7.989 1.00 1.05 O ATOM 906 CB ARG A 62 -4.174 4.987 6.169 1.00 1.13 C ATOM 907 CG ARG A 62 -3.765 4.136 7.384 1.00 1.74 C ATOM 908 CD ARG A 62 -2.270 3.729 7.422 1.00 1.19 C ATOM 909 NE ARG A 62 -1.903 3.066 8.684 1.00 1.71 N ATOM 910 CZ ARG A 62 -1.899 3.630 9.886 1.00 1.59 C ATOM 911 NH1 ARG A 62 -2.225 4.890 10.088 1.00 1.85 N ATOM 912 NH2 ARG A 62 -1.540 2.917 10.925 1.00 2.42 N ATOM 0 H ARG A 62 -4.868 6.324 4.372 1.00 1.17 H new ATOM 0 HA ARG A 62 -4.586 7.079 6.856 1.00 1.15 H new ATOM 0 HB2 ARG A 62 -5.240 4.828 6.003 1.00 1.13 H new ATOM 0 HB3 ARG A 62 -3.653 4.586 5.299 1.00 1.13 H new ATOM 0 HG2 ARG A 62 -3.999 4.690 8.293 1.00 1.74 H new ATOM 0 HG3 ARG A 62 -4.373 3.232 7.397 1.00 1.74 H new ATOM 0 HD2 ARG A 62 -2.056 3.061 6.588 1.00 1.19 H new ATOM 0 HD3 ARG A 62 -1.651 4.616 7.287 1.00 1.19 H new ATOM 0 HE ARG A 62 -1.627 2.086 8.630 1.00 1.71 H new ATOM 0 HH11 ARG A 62 -2.496 5.479 9.301 1.00 1.85 H new ATOM 0 HH12 ARG A 62 -2.206 5.277 11.032 1.00 1.85 H new ATOM 0 HH21 ARG A 62 -1.268 1.941 10.805 1.00 2.42 H new ATOM 0 HH22 ARG A 62 -1.532 3.338 11.854 1.00 2.42 H new ATOM 926 N ALA A 63 -1.485 6.889 5.948 1.00 0.76 N ATOM 927 CA ALA A 63 -0.090 7.015 6.381 1.00 0.78 C ATOM 928 C ALA A 63 0.540 8.388 6.079 1.00 0.85 C ATOM 929 O ALA A 63 1.688 8.597 6.470 1.00 0.97 O ATOM 930 CB ALA A 63 0.697 5.874 5.717 1.00 0.84 C ATOM 0 H ALA A 63 -1.582 6.859 4.933 1.00 0.76 H new ATOM 0 HA ALA A 63 -0.054 6.941 7.468 1.00 0.78 H new ATOM 0 HB1 ALA A 63 1.744 5.933 6.015 1.00 0.84 H new ATOM 0 HB2 ALA A 63 0.283 4.916 6.031 1.00 0.84 H new ATOM 0 HB3 ALA A 63 0.623 5.963 4.633 1.00 0.84 H new ATOM 936 N GLY A 64 -0.170 9.292 5.387 1.00 0.86 N ATOM 937 CA GLY A 64 0.400 10.515 4.807 1.00 0.95 C ATOM 938 C GLY A 64 1.036 10.247 3.444 1.00 0.98 C ATOM 939 O GLY A 64 1.762 11.087 2.919 1.00 1.07 O ATOM 0 H GLY A 64 -1.170 9.192 5.213 1.00 0.86 H new ATOM 0 HA2 GLY A 64 -0.382 11.268 4.703 1.00 0.95 H new ATOM 0 HA3 GLY A 64 1.149 10.925 5.484 1.00 0.95 H new ATOM 943 N TYR A 65 0.784 9.055 2.890 1.00 1.02 N ATOM 944 CA TYR A 65 1.443 8.505 1.709 1.00 1.18 C ATOM 945 C TYR A 65 0.456 8.216 0.567 1.00 1.35 C ATOM 946 O TYR A 65 -0.757 8.139 0.757 1.00 1.54 O ATOM 947 CB TYR A 65 2.242 7.249 2.113 1.00 1.18 C ATOM 948 CG TYR A 65 3.354 7.455 3.137 1.00 1.09 C ATOM 949 CD1 TYR A 65 4.005 8.697 3.293 1.00 1.70 C ATOM 950 CD2 TYR A 65 3.742 6.378 3.960 1.00 2.14 C ATOM 951 CE1 TYR A 65 4.955 8.885 4.311 1.00 1.90 C ATOM 952 CE2 TYR A 65 4.710 6.546 4.966 1.00 2.13 C ATOM 953 CZ TYR A 65 5.297 7.814 5.163 1.00 1.33 C ATOM 954 OH TYR A 65 6.215 8.004 6.146 1.00 1.57 O ATOM 0 H TYR A 65 0.082 8.422 3.274 1.00 1.02 H new ATOM 0 HA TYR A 65 2.132 9.253 1.317 1.00 1.18 H new ATOM 0 HB2 TYR A 65 1.544 6.512 2.510 1.00 1.18 H new ATOM 0 HB3 TYR A 65 2.681 6.819 1.213 1.00 1.18 H new ATOM 0 HD1 TYR A 65 3.771 9.511 2.623 1.00 1.70 H new ATOM 0 HD2 TYR A 65 3.289 5.409 3.815 1.00 2.14 H new ATOM 0 HE1 TYR A 65 5.423 9.849 4.441 1.00 1.90 H new ATOM 0 HE2 TYR A 65 5.002 5.710 5.584 1.00 2.13 H new ATOM 0 HH TYR A 65 6.338 7.169 6.645 1.00 1.57 H new ATOM 964 N HIS A 66 0.981 8.115 -0.652 1.00 1.37 N ATOM 965 CA HIS A 66 0.242 7.915 -1.907 1.00 1.54 C ATOM 966 C HIS A 66 0.933 6.783 -2.685 1.00 1.36 C ATOM 967 O HIS A 66 1.763 6.083 -2.115 1.00 1.72 O ATOM 968 CB HIS A 66 0.146 9.277 -2.646 1.00 1.82 C ATOM 969 CG HIS A 66 -1.119 10.039 -2.327 1.00 2.20 C ATOM 970 ND1 HIS A 66 -2.189 10.217 -3.186 1.00 3.51 N ATOM 971 CD2 HIS A 66 -1.490 10.523 -1.102 1.00 2.10 C ATOM 972 CE1 HIS A 66 -3.193 10.770 -2.486 1.00 3.48 C ATOM 973 NE2 HIS A 66 -2.796 10.958 -1.216 1.00 2.45 N ATOM 0 H HIS A 66 1.988 8.173 -0.804 1.00 1.37 H new ATOM 0 HA HIS A 66 -0.789 7.594 -1.758 1.00 1.54 H new ATOM 0 HB2 HIS A 66 1.008 9.889 -2.380 1.00 1.82 H new ATOM 0 HB3 HIS A 66 0.197 9.104 -3.721 1.00 1.82 H new ATOM 0 HD2 HIS A 66 -0.877 10.558 -0.213 1.00 2.10 H new ATOM 0 HE1 HIS A 66 -4.166 11.023 -2.881 1.00 3.48 H new ATOM 0 HE2 HIS A 66 -3.362 11.354 -0.465 1.00 2.45 H new ATOM 982 N ALA A 67 0.648 6.579 -3.975 1.00 0.96 N ATOM 983 CA ALA A 67 1.383 5.620 -4.807 1.00 0.80 C ATOM 984 C ALA A 67 2.008 6.303 -6.039 1.00 0.79 C ATOM 985 O ALA A 67 1.553 7.368 -6.458 1.00 0.95 O ATOM 986 CB ALA A 67 0.425 4.493 -5.202 1.00 1.25 C ATOM 0 H ALA A 67 -0.095 7.071 -4.470 1.00 0.96 H new ATOM 0 HA ALA A 67 2.216 5.203 -4.241 1.00 0.80 H new ATOM 0 HB1 ALA A 67 0.952 3.768 -5.822 1.00 1.25 H new ATOM 0 HB2 ALA A 67 0.053 4.000 -4.304 1.00 1.25 H new ATOM 0 HB3 ALA A 67 -0.413 4.908 -5.762 1.00 1.25 H new ATOM 992 N ARG A 68 3.048 5.689 -6.606 1.00 0.88 N ATOM 993 CA ARG A 68 3.780 6.121 -7.803 1.00 0.97 C ATOM 994 C ARG A 68 4.011 4.903 -8.712 1.00 0.89 C ATOM 995 O ARG A 68 4.566 3.885 -8.304 1.00 0.78 O ATOM 996 CB ARG A 68 5.098 6.848 -7.431 1.00 1.10 C ATOM 997 CG ARG A 68 5.877 6.198 -6.275 1.00 1.51 C ATOM 998 CD ARG A 68 7.315 6.692 -6.055 1.00 2.27 C ATOM 999 NE ARG A 68 7.424 8.060 -5.509 1.00 2.79 N ATOM 1000 CZ ARG A 68 8.585 8.646 -5.224 1.00 3.13 C ATOM 1001 NH1 ARG A 68 9.736 8.092 -5.505 1.00 3.28 N ATOM 1002 NH2 ARG A 68 8.632 9.805 -4.614 1.00 4.37 N ATOM 0 H ARG A 68 3.426 4.824 -6.220 1.00 0.88 H new ATOM 0 HA ARG A 68 3.186 6.852 -8.352 1.00 0.97 H new ATOM 0 HB2 ARG A 68 5.740 6.884 -8.311 1.00 1.10 H new ATOM 0 HB3 ARG A 68 4.867 7.879 -7.163 1.00 1.10 H new ATOM 0 HG2 ARG A 68 5.317 6.357 -5.354 1.00 1.51 H new ATOM 0 HG3 ARG A 68 5.908 5.122 -6.447 1.00 1.51 H new ATOM 0 HD2 ARG A 68 7.821 6.004 -5.377 1.00 2.27 H new ATOM 0 HD3 ARG A 68 7.847 6.652 -7.005 1.00 2.27 H new ATOM 0 HE ARG A 68 6.565 8.583 -5.341 1.00 2.79 H new ATOM 0 HH11 ARG A 68 9.765 7.179 -5.959 1.00 3.28 H new ATOM 0 HH12 ARG A 68 10.604 8.573 -5.271 1.00 3.28 H new ATOM 0 HH21 ARG A 68 7.768 10.277 -4.348 1.00 4.37 H new ATOM 0 HH22 ARG A 68 9.533 10.235 -4.406 1.00 4.37 H new ATOM 1016 N VAL A 69 3.546 4.994 -9.956 1.00 1.13 N ATOM 1017 CA VAL A 69 3.563 3.874 -10.916 1.00 1.29 C ATOM 1018 C VAL A 69 4.745 4.029 -11.857 1.00 1.55 C ATOM 1019 O VAL A 69 4.945 5.089 -12.449 1.00 2.11 O ATOM 1020 CB VAL A 69 2.243 3.769 -11.717 1.00 2.01 C ATOM 1021 CG1 VAL A 69 2.259 2.592 -12.708 1.00 2.38 C ATOM 1022 CG2 VAL A 69 1.043 3.598 -10.770 1.00 3.87 C ATOM 0 H VAL A 69 3.142 5.850 -10.337 1.00 1.13 H new ATOM 0 HA VAL A 69 3.664 2.949 -10.349 1.00 1.29 H new ATOM 0 HB VAL A 69 2.147 4.698 -12.279 1.00 2.01 H new ATOM 0 HG11 VAL A 69 1.312 2.558 -13.247 1.00 2.38 H new ATOM 0 HG12 VAL A 69 3.076 2.724 -13.417 1.00 2.38 H new ATOM 0 HG13 VAL A 69 2.400 1.659 -12.162 1.00 2.38 H new ATOM 0 HG21 VAL A 69 0.126 3.526 -11.354 1.00 3.87 H new ATOM 0 HG22 VAL A 69 1.170 2.689 -10.182 1.00 3.87 H new ATOM 0 HG23 VAL A 69 0.981 4.457 -10.102 1.00 3.87 H new ATOM 1032 N LEU A 70 5.515 2.949 -11.986 1.00 1.36 N ATOM 1033 CA LEU A 70 6.689 2.880 -12.843 1.00 1.76 C ATOM 1034 C LEU A 70 6.385 2.185 -14.180 1.00 1.93 C ATOM 1035 O LEU A 70 5.677 1.187 -14.227 1.00 2.07 O ATOM 1036 CB LEU A 70 7.842 2.208 -12.072 1.00 1.78 C ATOM 1037 CG LEU A 70 7.623 0.752 -11.590 1.00 1.44 C ATOM 1038 CD1 LEU A 70 8.976 0.032 -11.489 1.00 1.54 C ATOM 1039 CD2 LEU A 70 6.908 0.675 -10.231 1.00 1.89 C ATOM 0 H LEU A 70 5.332 2.080 -11.484 1.00 1.36 H new ATOM 0 HA LEU A 70 6.998 3.892 -13.107 1.00 1.76 H new ATOM 0 HB2 LEU A 70 8.727 2.223 -12.709 1.00 1.78 H new ATOM 0 HB3 LEU A 70 8.067 2.822 -11.200 1.00 1.78 H new ATOM 0 HG LEU A 70 6.981 0.267 -12.326 1.00 1.44 H new ATOM 0 HD11 LEU A 70 8.819 -0.992 -11.150 1.00 1.54 H new ATOM 0 HD12 LEU A 70 9.456 0.020 -12.468 1.00 1.54 H new ATOM 0 HD13 LEU A 70 9.615 0.556 -10.778 1.00 1.54 H new ATOM 0 HD21 LEU A 70 6.782 -0.369 -9.945 1.00 1.89 H new ATOM 0 HD22 LEU A 70 7.504 1.189 -9.477 1.00 1.89 H new ATOM 0 HD23 LEU A 70 5.930 1.151 -10.307 1.00 1.89 H new ATOM 1051 N LYS A 71 6.986 2.657 -15.279 1.00 2.39 N ATOM 1052 CA LYS A 71 6.789 2.076 -16.623 1.00 2.68 C ATOM 1053 C LYS A 71 7.334 0.631 -16.774 1.00 3.49 C ATOM 1054 O LYS A 71 6.949 -0.067 -17.716 1.00 5.39 O ATOM 1055 CB LYS A 71 7.368 3.077 -17.652 1.00 3.16 C ATOM 1056 CG LYS A 71 7.319 2.622 -19.124 1.00 4.38 C ATOM 1057 CD LYS A 71 8.665 2.043 -19.605 1.00 5.36 C ATOM 1058 CE LYS A 71 8.518 1.036 -20.756 1.00 6.24 C ATOM 1059 NZ LYS A 71 8.149 -0.307 -20.249 1.00 6.57 N ATOM 0 H LYS A 71 7.624 3.453 -15.267 1.00 2.39 H new ATOM 0 HA LYS A 71 5.723 1.941 -16.806 1.00 2.68 H new ATOM 0 HB2 LYS A 71 6.824 4.017 -17.563 1.00 3.16 H new ATOM 0 HB3 LYS A 71 8.405 3.282 -17.388 1.00 3.16 H new ATOM 0 HG2 LYS A 71 6.539 1.870 -19.243 1.00 4.38 H new ATOM 0 HG3 LYS A 71 7.044 3.468 -19.754 1.00 4.38 H new ATOM 0 HD2 LYS A 71 9.310 2.861 -19.927 1.00 5.36 H new ATOM 0 HD3 LYS A 71 9.163 1.556 -18.767 1.00 5.36 H new ATOM 0 HE2 LYS A 71 7.757 1.386 -21.454 1.00 6.24 H new ATOM 0 HE3 LYS A 71 9.455 0.974 -21.310 1.00 6.24 H new ATOM 0 HZ1 LYS A 71 8.602 -1.036 -20.836 1.00 6.57 H new ATOM 0 HZ2 LYS A 71 8.469 -0.406 -19.265 1.00 6.57 H new ATOM 0 HZ3 LYS A 71 7.116 -0.422 -20.290 1.00 6.57 H new ATOM 1073 N GLN A 72 8.218 0.208 -15.858 1.00 3.11 N ATOM 1074 CA GLN A 72 8.817 -1.134 -15.743 1.00 4.76 C ATOM 1075 C GLN A 72 9.335 -1.666 -17.102 1.00 4.71 C ATOM 1076 O GLN A 72 9.678 -0.896 -18.000 1.00 4.17 O ATOM 1077 CB GLN A 72 7.798 -2.077 -15.053 1.00 6.26 C ATOM 1078 CG GLN A 72 8.439 -3.229 -14.248 1.00 7.70 C ATOM 1079 CD GLN A 72 7.424 -4.328 -13.933 1.00 8.93 C ATOM 1080 OE1 GLN A 72 6.658 -4.226 -12.991 1.00 9.45 O ATOM 1081 NE2 GLN A 72 7.339 -5.385 -14.715 1.00 9.84 N ATOM 0 H GLN A 72 8.557 0.835 -15.128 1.00 3.11 H new ATOM 0 HA GLN A 72 9.709 -1.083 -15.118 1.00 4.76 H new ATOM 0 HB2 GLN A 72 7.171 -1.488 -14.384 1.00 6.26 H new ATOM 0 HB3 GLN A 72 7.142 -2.502 -15.813 1.00 6.26 H new ATOM 0 HG2 GLN A 72 9.269 -3.651 -14.814 1.00 7.70 H new ATOM 0 HG3 GLN A 72 8.853 -2.838 -13.319 1.00 7.70 H new ATOM 0 HE21 GLN A 72 7.973 -5.485 -15.508 1.00 9.84 H new ATOM 0 HE22 GLN A 72 6.639 -6.103 -14.528 1.00 9.84 H new ATOM 1090 N GLN A 73 9.346 -2.985 -17.278 1.00 5.81 N ATOM 1091 CA GLN A 73 9.436 -3.725 -18.529 1.00 6.07 C ATOM 1092 C GLN A 73 9.014 -5.167 -18.214 1.00 7.62 C ATOM 1093 O GLN A 73 9.166 -5.586 -17.068 1.00 8.43 O ATOM 1094 CB GLN A 73 10.861 -3.635 -19.115 1.00 6.25 C ATOM 1095 CG GLN A 73 10.998 -4.133 -20.564 1.00 6.47 C ATOM 1096 CD GLN A 73 10.284 -3.261 -21.603 1.00 6.27 C ATOM 1097 OE1 GLN A 73 9.275 -2.610 -21.361 1.00 6.07 O ATOM 1098 NE2 GLN A 73 10.781 -3.209 -22.815 1.00 7.06 N ATOM 0 H GLN A 73 9.287 -3.615 -16.478 1.00 5.81 H new ATOM 0 HA GLN A 73 8.781 -3.308 -19.294 1.00 6.07 H new ATOM 0 HB2 GLN A 73 11.192 -2.597 -19.070 1.00 6.25 H new ATOM 0 HB3 GLN A 73 11.535 -4.212 -18.482 1.00 6.25 H new ATOM 0 HG2 GLN A 73 12.057 -4.187 -20.818 1.00 6.47 H new ATOM 0 HG3 GLN A 73 10.603 -5.147 -20.626 1.00 6.47 H new ATOM 0 HE21 GLN A 73 11.620 -3.741 -23.045 1.00 7.06 H new ATOM 0 HE22 GLN A 73 10.328 -2.637 -23.528 1.00 7.06 H new TER 1107 GLN A 73