USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 554 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 65 MET CE :methyl -150:sc= -3.83! (180deg=-6.01!) USER MOD Set 1.2: A 69 GLN : amide:sc= -0.0288 K(o=-3.9,f=-5) USER MOD Set 2.1: A 38 ASN : amide:sc= -1.15 X(o=-1.3,f=-0.93) USER MOD Set 2.2: A 39 SER OG : rot 180:sc= -0.114 USER MOD Single : A 21 ASN : amide:sc= -0.0581 K(o=-0.058,f=-1.7!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= 0.725 (180deg=0.6) USER MOD Single : A 37 GLN : amide:sc= -1.75! C(o=-1.8!,f=-2.4!) USER MOD Single : A 43 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.21) USER MOD Single : A 44 SER OG : rot 61:sc= 1.02 USER MOD Single : A 48 THR OG1 : rot -160:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= -0.0523 (180deg=-0.281) USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= 0.0801 (180deg=0.0204) USER MOD Single : A 59 THR OG1 : rot -75:sc= 1.09 USER MOD Single : A 68 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.7) USER MOD Single : A 70 SER OG : rot -81:sc= -0.74 USER MOD Single : A 72 THR OG1 : rot -77:sc= 1.05 USER MOD Single : B 101 SER OG : rot -34:sc= 0.273 USER MOD Single : B 102 GLN : amide:sc= -0.075 X(o=-0.075,f=-0.052) USER MOD Single : B 104 LYS NZ :NH3+ -141:sc= 1.14 (180deg=0.815) USER MOD Single : B 107 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 -14.639 0.995 2.707 1.00 0.00 N ATOM 2 CA GLU A 20 -13.184 0.996 2.642 1.00 0.00 C ATOM 3 C GLU A 20 -12.691 0.799 1.212 1.00 0.00 C ATOM 4 O GLU A 20 -11.600 1.247 0.862 1.00 0.00 O ATOM 5 CB GLU A 20 -12.592 -0.081 3.567 1.00 0.00 C ATOM 6 CG GLU A 20 -13.505 -1.255 3.864 1.00 0.00 C ATOM 7 CD GLU A 20 -14.081 -1.926 2.630 1.00 0.00 C ATOM 8 OE1 GLU A 20 -15.221 -1.609 2.250 1.00 0.00 O ATOM 9 OE2 GLU A 20 -13.384 -2.773 2.032 1.00 0.00 O ATOM 0 HA GLU A 20 -12.842 1.972 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.675 -0.460 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.312 0.388 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.950 -1.995 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.326 -0.912 4.493 1.00 0.00 H new ATOM 16 N ASN A 21 -13.505 0.134 0.395 1.00 0.00 N ATOM 17 CA ASN A 21 -13.168 -0.153 -1.002 1.00 0.00 C ATOM 18 C ASN A 21 -11.845 -0.913 -1.095 1.00 0.00 C ATOM 19 O ASN A 21 -10.920 -0.498 -1.792 1.00 0.00 O ATOM 20 CB ASN A 21 -13.098 1.145 -1.825 1.00 0.00 C ATOM 21 CG ASN A 21 -13.207 0.911 -3.327 1.00 0.00 C ATOM 22 OD1 ASN A 21 -12.860 -0.154 -3.841 1.00 0.00 O ATOM 23 ND2 ASN A 21 -13.690 1.914 -4.046 1.00 0.00 N ATOM 0 H ASN A 21 -14.417 -0.222 0.680 1.00 0.00 H new ATOM 0 HA ASN A 21 -13.957 -0.781 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.900 1.812 -1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.158 1.653 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.784 1.818 -5.057 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.968 2.782 -3.588 1.00 0.00 H new ATOM 30 N VAL A 22 -11.754 -2.031 -0.381 1.00 0.00 N ATOM 31 CA VAL A 22 -10.565 -2.875 -0.442 1.00 0.00 C ATOM 32 C VAL A 22 -10.675 -3.845 -1.618 1.00 0.00 C ATOM 33 O VAL A 22 -9.902 -4.794 -1.728 1.00 0.00 O ATOM 34 CB VAL A 22 -10.368 -3.671 0.872 1.00 0.00 C ATOM 35 CG1 VAL A 22 -11.261 -4.908 0.905 1.00 0.00 C ATOM 36 CG2 VAL A 22 -8.908 -4.051 1.068 1.00 0.00 C ATOM 0 H VAL A 22 -12.485 -2.372 0.243 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.700 -2.226 -0.579 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.661 -3.024 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.101 -5.447 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.306 -4.605 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.015 -5.557 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.799 -4.609 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.578 -4.669 0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.300 -3.148 1.113 1.00 0.00 H new ATOM 46 N LEU A 23 -11.644 -3.579 -2.493 1.00 0.00 N ATOM 47 CA LEU A 23 -11.954 -4.461 -3.611 1.00 0.00 C ATOM 48 C LEU A 23 -10.724 -4.691 -4.479 1.00 0.00 C ATOM 49 O LEU A 23 -10.272 -3.783 -5.179 1.00 0.00 O ATOM 50 CB LEU A 23 -13.091 -3.873 -4.449 1.00 0.00 C ATOM 51 CG LEU A 23 -13.548 -4.734 -5.629 1.00 0.00 C ATOM 52 CD1 LEU A 23 -14.069 -6.077 -5.145 1.00 0.00 C ATOM 53 CD2 LEU A 23 -14.615 -4.010 -6.430 1.00 0.00 C ATOM 0 H LEU A 23 -12.233 -2.748 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.272 -5.423 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -13.946 -3.696 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.775 -2.902 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.689 -4.913 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.388 -6.673 -6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.278 -6.603 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.915 -5.919 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.930 -4.635 -7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.472 -3.802 -5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.210 -3.072 -6.811 1.00 0.00 H new ATOM 65 N PRO A 24 -10.171 -5.915 -4.417 1.00 0.00 N ATOM 66 CA PRO A 24 -8.975 -6.304 -5.171 1.00 0.00 C ATOM 67 C PRO A 24 -9.073 -5.966 -6.657 1.00 0.00 C ATOM 68 O PRO A 24 -9.786 -6.630 -7.416 1.00 0.00 O ATOM 69 CB PRO A 24 -8.923 -7.818 -4.969 1.00 0.00 C ATOM 70 CG PRO A 24 -9.559 -8.034 -3.650 1.00 0.00 C ATOM 71 CD PRO A 24 -10.664 -7.024 -3.576 1.00 0.00 C ATOM 0 HA PRO A 24 -8.086 -5.774 -4.828 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.459 -8.343 -5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.897 -8.186 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.947 -9.049 -3.561 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.843 -7.894 -2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.603 -7.428 -3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.845 -6.701 -2.551 1.00 0.00 H new ATOM 79 N ARG A 25 -8.351 -4.931 -7.061 1.00 0.00 N ATOM 80 CA ARG A 25 -8.315 -4.499 -8.451 1.00 0.00 C ATOM 81 C ARG A 25 -6.883 -4.165 -8.842 1.00 0.00 C ATOM 82 O ARG A 25 -6.204 -3.397 -8.167 1.00 0.00 O ATOM 83 CB ARG A 25 -9.211 -3.273 -8.673 1.00 0.00 C ATOM 84 CG ARG A 25 -10.688 -3.531 -8.429 1.00 0.00 C ATOM 85 CD ARG A 25 -11.539 -2.332 -8.824 1.00 0.00 C ATOM 86 NE ARG A 25 -11.474 -2.062 -10.263 1.00 0.00 N ATOM 87 CZ ARG A 25 -12.304 -1.245 -10.914 1.00 0.00 C ATOM 88 NH1 ARG A 25 -13.257 -0.592 -10.261 1.00 0.00 N ATOM 89 NH2 ARG A 25 -12.179 -1.085 -12.225 1.00 0.00 N ATOM 0 H ARG A 25 -7.774 -4.368 -6.436 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.689 -5.312 -9.074 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.880 -2.470 -8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.079 -2.921 -9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.004 -4.405 -8.998 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.849 -3.761 -7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.575 -2.512 -8.535 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.203 -1.452 -8.275 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.746 -2.530 -10.803 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.359 -0.713 -9.253 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.887 0.031 -10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.450 -1.586 -12.733 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.812 -0.461 -12.725 1.00 0.00 H new ATOM 103 N GLU A 26 -6.443 -4.747 -9.953 1.00 0.00 N ATOM 104 CA GLU A 26 -5.068 -4.595 -10.428 1.00 0.00 C ATOM 105 C GLU A 26 -4.643 -3.131 -10.652 1.00 0.00 C ATOM 106 O GLU A 26 -3.480 -2.811 -10.433 1.00 0.00 O ATOM 107 CB GLU A 26 -4.848 -5.405 -11.704 1.00 0.00 C ATOM 108 CG GLU A 26 -5.034 -6.900 -11.510 1.00 0.00 C ATOM 109 CD GLU A 26 -4.476 -7.708 -12.658 1.00 0.00 C ATOM 110 OE1 GLU A 26 -5.243 -8.055 -13.579 1.00 0.00 O ATOM 111 OE2 GLU A 26 -3.262 -8.001 -12.643 1.00 0.00 O ATOM 0 H GLU A 26 -7.025 -5.335 -10.549 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.434 -4.980 -9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.541 -5.057 -12.470 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.841 -5.217 -12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.547 -7.206 -10.584 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.096 -7.119 -11.399 1.00 0.00 H new ATOM 118 N PRO A 27 -5.538 -2.224 -11.123 1.00 0.00 N ATOM 119 CA PRO A 27 -5.230 -0.787 -11.203 1.00 0.00 C ATOM 120 C PRO A 27 -4.657 -0.224 -9.898 1.00 0.00 C ATOM 121 O PRO A 27 -3.857 0.713 -9.917 1.00 0.00 O ATOM 122 CB PRO A 27 -6.586 -0.130 -11.516 1.00 0.00 C ATOM 123 CG PRO A 27 -7.601 -1.217 -11.420 1.00 0.00 C ATOM 124 CD PRO A 27 -6.869 -2.499 -11.676 1.00 0.00 C ATOM 0 HA PRO A 27 -4.464 -0.592 -11.954 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.804 0.671 -10.809 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.584 0.315 -12.511 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.069 -1.226 -10.436 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.397 -1.071 -12.150 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.347 -3.344 -11.181 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.825 -2.735 -12.739 1.00 0.00 H new ATOM 132 N LEU A 28 -5.050 -0.811 -8.768 1.00 0.00 N ATOM 133 CA LEU A 28 -4.559 -0.373 -7.463 1.00 0.00 C ATOM 134 C LEU A 28 -3.068 -0.644 -7.329 1.00 0.00 C ATOM 135 O LEU A 28 -2.352 0.095 -6.653 1.00 0.00 O ATOM 136 CB LEU A 28 -5.318 -1.066 -6.325 1.00 0.00 C ATOM 137 CG LEU A 28 -6.578 -0.347 -5.837 1.00 0.00 C ATOM 138 CD1 LEU A 28 -6.223 1.031 -5.302 1.00 0.00 C ATOM 139 CD2 LEU A 28 -7.612 -0.239 -6.946 1.00 0.00 C ATOM 0 H LEU A 28 -5.707 -1.591 -8.730 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.731 0.701 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.597 -2.067 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.640 -1.186 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.014 -0.935 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.128 1.532 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.526 0.930 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.760 1.621 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.496 0.276 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.193 0.322 -7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.890 -1.238 -7.283 1.00 0.00 H new ATOM 151 N ILE A 29 -2.603 -1.699 -7.987 1.00 0.00 N ATOM 152 CA ILE A 29 -1.186 -2.032 -7.993 1.00 0.00 C ATOM 153 C ILE A 29 -0.392 -0.906 -8.645 1.00 0.00 C ATOM 154 O ILE A 29 0.651 -0.493 -8.139 1.00 0.00 O ATOM 155 CB ILE A 29 -0.917 -3.354 -8.752 1.00 0.00 C ATOM 156 CG1 ILE A 29 -1.771 -4.487 -8.177 1.00 0.00 C ATOM 157 CG2 ILE A 29 0.562 -3.719 -8.697 1.00 0.00 C ATOM 158 CD1 ILE A 29 -1.496 -4.778 -6.719 1.00 0.00 C ATOM 0 H ILE A 29 -3.189 -2.339 -8.524 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.870 -2.161 -6.958 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.193 -3.209 -9.796 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.824 -4.231 -8.295 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.596 -5.392 -8.758 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.727 -4.651 -9.237 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.150 -2.925 -9.157 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.868 -3.842 -7.658 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.139 -5.592 -6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.452 -5.066 -6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.699 -3.887 -6.125 1.00 0.00 H new ATOM 170 N ALA A 30 -0.918 -0.390 -9.750 1.00 0.00 N ATOM 171 CA ALA A 30 -0.270 0.685 -10.486 1.00 0.00 C ATOM 172 C ALA A 30 -0.197 1.958 -9.650 1.00 0.00 C ATOM 173 O ALA A 30 0.853 2.600 -9.581 1.00 0.00 O ATOM 174 CB ALA A 30 -1.001 0.949 -11.791 1.00 0.00 C ATOM 0 H ALA A 30 -1.799 -0.703 -10.157 1.00 0.00 H new ATOM 0 HA ALA A 30 0.749 0.372 -10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.504 1.756 -12.330 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.993 0.046 -12.402 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.031 1.235 -11.579 1.00 0.00 H new ATOM 180 N THR A 31 -1.309 2.314 -9.015 1.00 0.00 N ATOM 181 CA THR A 31 -1.351 3.484 -8.148 1.00 0.00 C ATOM 182 C THR A 31 -0.384 3.319 -6.983 1.00 0.00 C ATOM 183 O THR A 31 0.330 4.255 -6.614 1.00 0.00 O ATOM 184 CB THR A 31 -2.768 3.725 -7.595 1.00 0.00 C ATOM 185 OG1 THR A 31 -3.714 3.751 -8.670 1.00 0.00 O ATOM 186 CG2 THR A 31 -2.832 5.037 -6.822 1.00 0.00 C ATOM 0 H THR A 31 -2.192 1.809 -9.085 1.00 0.00 H new ATOM 0 HA THR A 31 -1.059 4.344 -8.751 1.00 0.00 H new ATOM 0 HB THR A 31 -3.014 2.909 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.613 3.903 -8.311 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.842 5.186 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.131 5.002 -5.988 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.568 5.862 -7.484 1.00 0.00 H new ATOM 194 N ALA A 32 -0.349 2.116 -6.416 1.00 0.00 N ATOM 195 CA ALA A 32 0.535 1.831 -5.301 1.00 0.00 C ATOM 196 C ALA A 32 1.991 1.962 -5.720 1.00 0.00 C ATOM 197 O ALA A 32 2.777 2.574 -5.020 1.00 0.00 O ATOM 198 CB ALA A 32 0.268 0.450 -4.729 1.00 0.00 C ATOM 0 H ALA A 32 -0.923 1.327 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 32 0.333 2.565 -4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.945 0.264 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.763 0.394 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.430 -0.301 -5.502 1.00 0.00 H new ATOM 204 N VAL A 33 2.345 1.405 -6.873 1.00 0.00 N ATOM 205 CA VAL A 33 3.715 1.501 -7.376 1.00 0.00 C ATOM 206 C VAL A 33 4.084 2.958 -7.672 1.00 0.00 C ATOM 207 O VAL A 33 5.205 3.393 -7.392 1.00 0.00 O ATOM 208 CB VAL A 33 3.919 0.637 -8.642 1.00 0.00 C ATOM 209 CG1 VAL A 33 5.292 0.872 -9.252 1.00 0.00 C ATOM 210 CG2 VAL A 33 3.735 -0.837 -8.317 1.00 0.00 C ATOM 0 H VAL A 33 1.708 0.884 -7.476 1.00 0.00 H new ATOM 0 HA VAL A 33 4.374 1.119 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 33 3.167 0.933 -9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.407 0.251 -10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.393 1.922 -9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.062 0.612 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.882 -1.430 -9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.463 -1.137 -7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.728 -1.002 -7.935 1.00 0.00 H new ATOM 220 N LYS A 34 3.134 3.705 -8.235 1.00 0.00 N ATOM 221 CA LYS A 34 3.310 5.140 -8.469 1.00 0.00 C ATOM 222 C LYS A 34 3.656 5.847 -7.166 1.00 0.00 C ATOM 223 O LYS A 34 4.626 6.603 -7.088 1.00 0.00 O ATOM 224 CB LYS A 34 2.032 5.736 -9.080 1.00 0.00 C ATOM 225 CG LYS A 34 1.976 7.259 -9.054 1.00 0.00 C ATOM 226 CD LYS A 34 1.197 7.787 -7.850 1.00 0.00 C ATOM 227 CE LYS A 34 1.345 9.291 -7.712 1.00 0.00 C ATOM 228 NZ LYS A 34 0.925 10.012 -8.942 1.00 0.00 N ATOM 0 H LYS A 34 2.232 3.339 -8.539 1.00 0.00 H new ATOM 0 HA LYS A 34 4.132 5.285 -9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.945 5.398 -10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.169 5.343 -8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.990 7.658 -9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.512 7.620 -9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.143 7.532 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.553 7.300 -6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.748 9.637 -6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.384 9.533 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.881 11.033 -8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.613 9.833 -9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.013 9.675 -9.239 1.00 0.00 H new ATOM 242 N PHE A 35 2.848 5.576 -6.156 1.00 0.00 N ATOM 243 CA PHE A 35 3.033 6.129 -4.826 1.00 0.00 C ATOM 244 C PHE A 35 4.393 5.718 -4.255 1.00 0.00 C ATOM 245 O PHE A 35 5.222 6.561 -3.913 1.00 0.00 O ATOM 246 CB PHE A 35 1.895 5.625 -3.940 1.00 0.00 C ATOM 247 CG PHE A 35 1.914 6.161 -2.547 1.00 0.00 C ATOM 248 CD1 PHE A 35 1.431 7.425 -2.281 1.00 0.00 C ATOM 249 CD2 PHE A 35 2.426 5.408 -1.509 1.00 0.00 C ATOM 250 CE1 PHE A 35 1.456 7.933 -1.004 1.00 0.00 C ATOM 251 CE2 PHE A 35 2.453 5.903 -0.229 1.00 0.00 C ATOM 252 CZ PHE A 35 1.934 7.132 0.045 1.00 0.00 C ATOM 0 H PHE A 35 2.038 4.961 -6.237 1.00 0.00 H new ATOM 0 HA PHE A 35 3.015 7.218 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.945 5.889 -4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.938 4.537 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.028 8.023 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.810 4.418 -1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.111 8.938 -0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.888 5.315 0.565 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.890 7.488 1.064 1.00 0.00 H new ATOM 262 N LEU A 36 4.609 4.409 -4.208 1.00 0.00 N ATOM 263 CA LEU A 36 5.813 3.799 -3.644 1.00 0.00 C ATOM 264 C LEU A 36 7.091 4.406 -4.202 1.00 0.00 C ATOM 265 O LEU A 36 7.925 4.923 -3.456 1.00 0.00 O ATOM 266 CB LEU A 36 5.807 2.300 -3.947 1.00 0.00 C ATOM 267 CG LEU A 36 5.121 1.393 -2.916 1.00 0.00 C ATOM 268 CD1 LEU A 36 3.902 2.055 -2.293 1.00 0.00 C ATOM 269 CD2 LEU A 36 4.721 0.083 -3.578 1.00 0.00 C ATOM 0 H LEU A 36 3.941 3.727 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 36 5.798 3.984 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.320 2.149 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.840 1.970 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 36 5.833 1.203 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.449 1.377 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.204 2.973 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.178 2.291 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.234 -0.561 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.032 0.285 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.610 -0.415 -3.965 1.00 0.00 H new ATOM 281 N GLN A 37 7.241 4.351 -5.514 1.00 0.00 N ATOM 282 CA GLN A 37 8.493 4.734 -6.143 1.00 0.00 C ATOM 283 C GLN A 37 8.466 6.181 -6.611 1.00 0.00 C ATOM 284 O GLN A 37 9.081 6.531 -7.617 1.00 0.00 O ATOM 285 CB GLN A 37 8.817 3.794 -7.303 1.00 0.00 C ATOM 286 CG GLN A 37 8.832 2.333 -6.894 1.00 0.00 C ATOM 287 CD GLN A 37 9.460 1.435 -7.939 1.00 0.00 C ATOM 288 OE1 GLN A 37 10.663 1.194 -7.917 1.00 0.00 O ATOM 289 NE2 GLN A 37 8.654 0.935 -8.859 1.00 0.00 N ATOM 0 H GLN A 37 6.515 4.046 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 37 9.281 4.649 -5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.082 3.937 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.789 4.060 -7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.379 2.229 -5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.810 2.003 -6.705 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.659 1.160 -8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.027 0.324 -9.586 1.00 0.00 H new ATOM 298 N ASN A 38 7.748 7.019 -5.877 1.00 0.00 N ATOM 299 CA ASN A 38 7.762 8.451 -6.140 1.00 0.00 C ATOM 300 C ASN A 38 9.119 9.031 -5.752 1.00 0.00 C ATOM 301 O ASN A 38 9.864 9.511 -6.606 1.00 0.00 O ATOM 302 CB ASN A 38 6.644 9.161 -5.369 1.00 0.00 C ATOM 303 CG ASN A 38 6.701 10.676 -5.500 1.00 0.00 C ATOM 304 OD1 ASN A 38 7.165 11.217 -6.504 1.00 0.00 O ATOM 305 ND2 ASN A 38 6.232 11.372 -4.477 1.00 0.00 N ATOM 0 H ASN A 38 7.152 6.735 -5.100 1.00 0.00 H new ATOM 0 HA ASN A 38 7.592 8.610 -7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.679 8.807 -5.731 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.708 8.890 -4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.247 12.392 -4.504 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.855 10.889 -3.662 1.00 0.00 H new ATOM 312 N SER A 39 9.450 8.949 -4.466 1.00 0.00 N ATOM 313 CA SER A 39 10.704 9.496 -3.970 1.00 0.00 C ATOM 314 C SER A 39 10.999 9.021 -2.551 1.00 0.00 C ATOM 315 O SER A 39 11.911 8.231 -2.330 1.00 0.00 O ATOM 316 CB SER A 39 10.653 11.028 -4.007 1.00 0.00 C ATOM 317 OG SER A 39 9.498 11.513 -3.336 1.00 0.00 O ATOM 0 H SER A 39 8.868 8.510 -3.753 1.00 0.00 H new ATOM 0 HA SER A 39 11.506 9.140 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.549 11.437 -3.540 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.648 11.371 -5.042 1.00 0.00 H new ATOM 0 HG SER A 39 9.487 12.492 -3.371 1.00 0.00 H new ATOM 323 N ARG A 40 10.195 9.479 -1.600 1.00 0.00 N ATOM 324 CA ARG A 40 10.474 9.261 -0.181 1.00 0.00 C ATOM 325 C ARG A 40 9.719 8.058 0.381 1.00 0.00 C ATOM 326 O ARG A 40 10.047 7.569 1.460 1.00 0.00 O ATOM 327 CB ARG A 40 10.083 10.505 0.620 1.00 0.00 C ATOM 328 CG ARG A 40 10.699 11.794 0.105 1.00 0.00 C ATOM 329 CD ARG A 40 10.143 12.999 0.845 1.00 0.00 C ATOM 330 NE ARG A 40 10.632 14.265 0.296 1.00 0.00 N ATOM 331 CZ ARG A 40 10.194 15.462 0.686 1.00 0.00 C ATOM 332 NH1 ARG A 40 9.260 15.561 1.622 1.00 0.00 N ATOM 333 NH2 ARG A 40 10.694 16.566 0.147 1.00 0.00 N ATOM 0 H ARG A 40 9.341 10.006 -1.784 1.00 0.00 H new ATOM 0 HA ARG A 40 11.542 9.063 -0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.998 10.604 0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.380 10.363 1.659 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.782 11.757 0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.500 11.895 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.054 12.981 0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.416 12.933 1.898 1.00 0.00 H new ATOM 0 HE ARG A 40 11.350 14.229 -0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.873 14.719 2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.929 16.480 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.417 16.501 -0.569 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.355 17.480 0.449 1.00 0.00 H new ATOM 347 N VAL A 41 8.716 7.587 -0.351 1.00 0.00 N ATOM 348 CA VAL A 41 7.803 6.560 0.158 1.00 0.00 C ATOM 349 C VAL A 41 8.520 5.264 0.535 1.00 0.00 C ATOM 350 O VAL A 41 8.241 4.687 1.583 1.00 0.00 O ATOM 351 CB VAL A 41 6.684 6.250 -0.850 1.00 0.00 C ATOM 352 CG1 VAL A 41 5.784 5.137 -0.332 1.00 0.00 C ATOM 353 CG2 VAL A 41 5.870 7.500 -1.128 1.00 0.00 C ATOM 0 H VAL A 41 8.511 7.898 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 41 7.366 6.978 1.065 1.00 0.00 H new ATOM 0 HB VAL A 41 7.142 5.913 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.000 4.934 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.375 4.235 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.332 5.444 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.081 7.269 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.425 7.858 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.519 8.272 -1.541 1.00 0.00 H new ATOM 363 N ARG A 42 9.448 4.811 -0.301 1.00 0.00 N ATOM 364 CA ARG A 42 10.147 3.556 -0.027 1.00 0.00 C ATOM 365 C ARG A 42 11.055 3.687 1.193 1.00 0.00 C ATOM 366 O ARG A 42 11.456 2.685 1.786 1.00 0.00 O ATOM 367 CB ARG A 42 10.967 3.092 -1.234 1.00 0.00 C ATOM 368 CG ARG A 42 10.131 2.735 -2.450 1.00 0.00 C ATOM 369 CD ARG A 42 10.955 2.003 -3.499 1.00 0.00 C ATOM 370 NE ARG A 42 12.136 2.760 -3.912 1.00 0.00 N ATOM 371 CZ ARG A 42 12.893 2.442 -4.964 1.00 0.00 C ATOM 372 NH1 ARG A 42 12.604 1.375 -5.702 1.00 0.00 N ATOM 373 NH2 ARG A 42 13.946 3.187 -5.273 1.00 0.00 N ATOM 0 H ARG A 42 9.732 5.282 -1.160 1.00 0.00 H new ATOM 0 HA ARG A 42 9.384 2.806 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.669 3.880 -1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.559 2.223 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.291 2.111 -2.145 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.712 3.643 -2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.267 1.037 -3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.332 1.803 -4.371 1.00 0.00 H new ATOM 0 HE ARG A 42 12.397 3.580 -3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.800 0.794 -5.466 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.186 1.137 -6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.177 4.003 -4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.525 2.944 -6.077 1.00 0.00 H new ATOM 387 N GLN A 43 11.383 4.917 1.561 1.00 0.00 N ATOM 388 CA GLN A 43 12.194 5.161 2.746 1.00 0.00 C ATOM 389 C GLN A 43 11.302 5.399 3.964 1.00 0.00 C ATOM 390 O GLN A 43 11.751 5.325 5.110 1.00 0.00 O ATOM 391 CB GLN A 43 13.119 6.359 2.525 1.00 0.00 C ATOM 392 CG GLN A 43 14.172 6.525 3.609 1.00 0.00 C ATOM 393 CD GLN A 43 15.006 5.275 3.803 1.00 0.00 C ATOM 394 OE1 GLN A 43 16.029 5.088 3.144 1.00 0.00 O ATOM 395 NE2 GLN A 43 14.577 4.413 4.714 1.00 0.00 N ATOM 0 H GLN A 43 11.102 5.759 1.059 1.00 0.00 H new ATOM 0 HA GLN A 43 12.807 4.279 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.616 6.250 1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.518 7.267 2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.826 7.358 3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.684 6.782 4.549 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.724 4.607 5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.100 3.556 4.891 1.00 0.00 H new ATOM 404 N SER A 44 10.032 5.671 3.705 1.00 0.00 N ATOM 405 CA SER A 44 9.069 5.923 4.764 1.00 0.00 C ATOM 406 C SER A 44 8.739 4.622 5.495 1.00 0.00 C ATOM 407 O SER A 44 8.840 3.538 4.914 1.00 0.00 O ATOM 408 CB SER A 44 7.802 6.547 4.174 1.00 0.00 C ATOM 409 OG SER A 44 8.113 7.727 3.451 1.00 0.00 O ATOM 0 H SER A 44 9.643 5.723 2.763 1.00 0.00 H new ATOM 0 HA SER A 44 9.500 6.620 5.483 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.311 5.830 3.516 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.099 6.780 4.974 1.00 0.00 H new ATOM 0 HG SER A 44 8.722 7.509 2.715 1.00 0.00 H new ATOM 415 N PRO A 45 8.357 4.718 6.780 1.00 0.00 N ATOM 416 CA PRO A 45 8.030 3.563 7.620 1.00 0.00 C ATOM 417 C PRO A 45 7.173 2.525 6.900 1.00 0.00 C ATOM 418 O PRO A 45 6.102 2.832 6.363 1.00 0.00 O ATOM 419 CB PRO A 45 7.253 4.170 8.798 1.00 0.00 C ATOM 420 CG PRO A 45 7.137 5.635 8.513 1.00 0.00 C ATOM 421 CD PRO A 45 8.218 5.968 7.528 1.00 0.00 C ATOM 0 HA PRO A 45 8.931 3.026 7.917 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.268 3.713 8.891 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.775 3.997 9.739 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.155 5.874 8.105 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.253 6.218 9.427 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.937 6.799 6.881 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.147 6.250 8.024 1.00 0.00 H new ATOM 429 N LEU A 46 7.658 1.291 6.884 1.00 0.00 N ATOM 430 CA LEU A 46 6.962 0.212 6.206 1.00 0.00 C ATOM 431 C LEU A 46 5.682 -0.134 6.944 1.00 0.00 C ATOM 432 O LEU A 46 4.691 -0.507 6.324 1.00 0.00 O ATOM 433 CB LEU A 46 7.842 -1.039 6.069 1.00 0.00 C ATOM 434 CG LEU A 46 9.093 -0.884 5.195 1.00 0.00 C ATOM 435 CD1 LEU A 46 10.219 -0.192 5.952 1.00 0.00 C ATOM 436 CD2 LEU A 46 9.550 -2.237 4.686 1.00 0.00 C ATOM 0 H LEU A 46 8.531 1.015 7.334 1.00 0.00 H new ATOM 0 HA LEU A 46 6.719 0.560 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.155 -1.351 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.233 -1.845 5.659 1.00 0.00 H new ATOM 0 HG LEU A 46 8.831 -0.256 4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.090 -0.099 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.892 0.799 6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.483 -0.781 6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.439 -2.112 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.785 -2.884 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.756 -2.690 4.093 1.00 0.00 H new ATOM 448 N ALA A 47 5.710 0.005 8.268 1.00 0.00 N ATOM 449 CA ALA A 47 4.527 -0.213 9.094 1.00 0.00 C ATOM 450 C ALA A 47 3.377 0.670 8.628 1.00 0.00 C ATOM 451 O ALA A 47 2.238 0.210 8.515 1.00 0.00 O ATOM 452 CB ALA A 47 4.845 0.055 10.555 1.00 0.00 C ATOM 0 H ALA A 47 6.544 0.269 8.793 1.00 0.00 H new ATOM 0 HA ALA A 47 4.222 -1.254 8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.953 -0.112 11.158 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.637 -0.618 10.884 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.174 1.087 10.672 1.00 0.00 H new ATOM 458 N THR A 48 3.686 1.935 8.345 1.00 0.00 N ATOM 459 CA THR A 48 2.710 2.844 7.765 1.00 0.00 C ATOM 460 C THR A 48 2.156 2.264 6.480 1.00 0.00 C ATOM 461 O THR A 48 0.950 2.139 6.318 1.00 0.00 O ATOM 462 CB THR A 48 3.324 4.222 7.449 1.00 0.00 C ATOM 463 OG1 THR A 48 3.795 4.834 8.652 1.00 0.00 O ATOM 464 CG2 THR A 48 2.304 5.130 6.759 1.00 0.00 C ATOM 0 H THR A 48 4.604 2.349 8.509 1.00 0.00 H new ATOM 0 HA THR A 48 1.917 2.972 8.502 1.00 0.00 H new ATOM 0 HB THR A 48 4.164 4.076 6.769 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.886 5.800 8.514 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.762 6.096 6.547 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.979 4.669 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.443 5.272 7.412 1.00 0.00 H new ATOM 472 N ARG A 49 3.056 1.883 5.585 1.00 0.00 N ATOM 473 CA ARG A 49 2.674 1.391 4.272 1.00 0.00 C ATOM 474 C ARG A 49 1.904 0.073 4.343 1.00 0.00 C ATOM 475 O ARG A 49 1.177 -0.270 3.414 1.00 0.00 O ATOM 476 CB ARG A 49 3.909 1.257 3.383 1.00 0.00 C ATOM 477 CG ARG A 49 4.406 2.591 2.848 1.00 0.00 C ATOM 478 CD ARG A 49 5.646 2.433 1.987 1.00 0.00 C ATOM 479 NE ARG A 49 6.856 2.244 2.787 1.00 0.00 N ATOM 480 CZ ARG A 49 7.920 1.560 2.378 1.00 0.00 C ATOM 481 NH1 ARG A 49 7.909 0.919 1.215 1.00 0.00 N ATOM 482 NH2 ARG A 49 9.006 1.513 3.132 1.00 0.00 N ATOM 0 H ARG A 49 4.063 1.906 5.747 1.00 0.00 H new ATOM 0 HA ARG A 49 1.996 2.122 3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.708 0.779 3.950 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.677 0.600 2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.617 3.064 2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.627 3.257 3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.517 1.580 1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.763 3.315 1.357 1.00 0.00 H new ATOM 0 HE ARG A 49 6.885 2.663 3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.078 0.948 0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.732 0.398 0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.027 2.002 4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.822 0.988 2.818 1.00 0.00 H new ATOM 496 N ARG A 50 2.050 -0.662 5.437 1.00 0.00 N ATOM 497 CA ARG A 50 1.275 -1.880 5.628 1.00 0.00 C ATOM 498 C ARG A 50 -0.199 -1.529 5.785 1.00 0.00 C ATOM 499 O ARG A 50 -1.033 -1.927 4.972 1.00 0.00 O ATOM 500 CB ARG A 50 1.755 -2.658 6.855 1.00 0.00 C ATOM 501 CG ARG A 50 3.211 -3.080 6.787 1.00 0.00 C ATOM 502 CD ARG A 50 3.499 -3.901 5.542 1.00 0.00 C ATOM 503 NE ARG A 50 4.908 -4.270 5.448 1.00 0.00 N ATOM 504 CZ ARG A 50 5.524 -4.582 4.309 1.00 0.00 C ATOM 505 NH1 ARG A 50 4.844 -4.603 3.167 1.00 0.00 N ATOM 506 NH2 ARG A 50 6.815 -4.873 4.310 1.00 0.00 N ATOM 0 H ARG A 50 2.691 -0.439 6.199 1.00 0.00 H new ATOM 0 HA ARG A 50 1.413 -2.513 4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.606 -2.044 7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.135 -3.546 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.847 -2.195 6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.463 -3.662 7.673 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.887 -4.803 5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.213 -3.332 4.657 1.00 0.00 H new ATOM 0 HE ARG A 50 5.455 -4.290 6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.849 -4.380 3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.318 -4.842 2.296 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.340 -4.859 5.184 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.285 -5.112 3.437 1.00 0.00 H new ATOM 520 N ALA A 51 -0.501 -0.752 6.822 1.00 0.00 N ATOM 521 CA ALA A 51 -1.862 -0.299 7.074 1.00 0.00 C ATOM 522 C ALA A 51 -2.368 0.511 5.892 1.00 0.00 C ATOM 523 O ALA A 51 -3.499 0.341 5.445 1.00 0.00 O ATOM 524 CB ALA A 51 -1.914 0.529 8.353 1.00 0.00 C ATOM 0 H ALA A 51 0.183 -0.423 7.503 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.507 -1.169 7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.937 0.861 8.530 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.579 -0.079 9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.263 1.397 8.251 1.00 0.00 H new ATOM 530 N PHE A 52 -1.496 1.373 5.388 1.00 0.00 N ATOM 531 CA PHE A 52 -1.772 2.210 4.231 1.00 0.00 C ATOM 532 C PHE A 52 -2.333 1.384 3.082 1.00 0.00 C ATOM 533 O PHE A 52 -3.465 1.592 2.669 1.00 0.00 O ATOM 534 CB PHE A 52 -0.480 2.920 3.815 1.00 0.00 C ATOM 535 CG PHE A 52 -0.625 3.845 2.658 1.00 0.00 C ATOM 536 CD1 PHE A 52 -0.316 3.421 1.383 1.00 0.00 C ATOM 537 CD2 PHE A 52 -1.093 5.133 2.844 1.00 0.00 C ATOM 538 CE1 PHE A 52 -0.476 4.265 0.311 1.00 0.00 C ATOM 539 CE2 PHE A 52 -1.247 5.982 1.775 1.00 0.00 C ATOM 540 CZ PHE A 52 -0.849 5.574 0.521 1.00 0.00 C ATOM 0 H PHE A 52 -0.564 1.512 5.778 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.526 2.952 4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.100 3.483 4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.270 2.168 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.054 2.419 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.340 5.474 3.838 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.310 3.903 -0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.677 6.962 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.829 6.280 -0.296 1.00 0.00 H new ATOM 550 N LEU A 53 -1.555 0.421 2.604 1.00 0.00 N ATOM 551 CA LEU A 53 -1.960 -0.414 1.473 1.00 0.00 C ATOM 552 C LEU A 53 -3.332 -1.055 1.701 1.00 0.00 C ATOM 553 O LEU A 53 -4.171 -1.076 0.800 1.00 0.00 O ATOM 554 CB LEU A 53 -0.912 -1.496 1.218 1.00 0.00 C ATOM 555 CG LEU A 53 0.151 -1.172 0.159 1.00 0.00 C ATOM 556 CD1 LEU A 53 -0.440 -1.278 -1.234 1.00 0.00 C ATOM 557 CD2 LEU A 53 0.747 0.210 0.374 1.00 0.00 C ATOM 0 H LEU A 53 -0.635 0.196 2.982 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.038 0.231 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.405 -1.710 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.427 -2.409 0.919 1.00 0.00 H new ATOM 0 HG LEU A 53 0.954 -1.903 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.327 -1.045 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.806 -2.292 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.266 -0.573 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.496 0.407 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.042 0.960 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.215 0.256 1.358 1.00 0.00 H new ATOM 569 N LYS A 54 -3.564 -1.549 2.912 1.00 0.00 N ATOM 570 CA LYS A 54 -4.841 -2.179 3.242 1.00 0.00 C ATOM 571 C LYS A 54 -5.975 -1.157 3.243 1.00 0.00 C ATOM 572 O LYS A 54 -7.097 -1.458 2.834 1.00 0.00 O ATOM 573 CB LYS A 54 -4.773 -2.874 4.608 1.00 0.00 C ATOM 574 CG LYS A 54 -4.166 -4.267 4.567 1.00 0.00 C ATOM 575 CD LYS A 54 -2.693 -4.247 4.193 1.00 0.00 C ATOM 576 CE LYS A 54 -2.115 -5.650 4.084 1.00 0.00 C ATOM 577 NZ LYS A 54 -2.270 -6.429 5.342 1.00 0.00 N ATOM 0 H LYS A 54 -2.891 -1.527 3.678 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.043 -2.926 2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.189 -2.255 5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.780 -2.940 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.284 -4.741 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.712 -4.877 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.567 -3.728 3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.136 -3.682 4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.608 -6.180 3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.057 -5.585 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.758 -7.330 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.882 -5.884 6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.279 -6.618 5.511 1.00 0.00 H new ATOM 591 N LYS A 55 -5.675 0.046 3.704 1.00 0.00 N ATOM 592 CA LYS A 55 -6.673 1.103 3.808 1.00 0.00 C ATOM 593 C LYS A 55 -6.959 1.753 2.464 1.00 0.00 C ATOM 594 O LYS A 55 -8.021 2.342 2.277 1.00 0.00 O ATOM 595 CB LYS A 55 -6.219 2.156 4.815 1.00 0.00 C ATOM 596 CG LYS A 55 -6.091 1.615 6.229 1.00 0.00 C ATOM 597 CD LYS A 55 -7.445 1.268 6.828 1.00 0.00 C ATOM 598 CE LYS A 55 -8.323 2.499 7.006 1.00 0.00 C ATOM 599 NZ LYS A 55 -7.692 3.509 7.899 1.00 0.00 N ATOM 0 H LYS A 55 -4.742 0.318 4.015 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.600 0.645 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.257 2.561 4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.929 2.983 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.459 0.727 6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.595 2.355 6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.953 0.551 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.301 0.783 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.519 2.948 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.286 2.201 7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.403 4.212 8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.313 3.036 8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.918 3.985 7.393 1.00 0.00 H new ATOM 613 N LYS A 56 -6.014 1.666 1.539 1.00 0.00 N ATOM 614 CA LYS A 56 -6.188 2.297 0.237 1.00 0.00 C ATOM 615 C LYS A 56 -7.070 1.446 -0.666 1.00 0.00 C ATOM 616 O LYS A 56 -7.759 1.968 -1.540 1.00 0.00 O ATOM 617 CB LYS A 56 -4.847 2.554 -0.458 1.00 0.00 C ATOM 618 CG LYS A 56 -3.806 3.280 0.387 1.00 0.00 C ATOM 619 CD LYS A 56 -4.384 4.425 1.216 1.00 0.00 C ATOM 620 CE LYS A 56 -5.136 5.430 0.366 1.00 0.00 C ATOM 621 NZ LYS A 56 -5.335 6.727 1.072 1.00 0.00 N ATOM 0 H LYS A 56 -5.130 1.172 1.662 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.672 3.257 0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.431 1.598 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.030 3.137 -1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.328 2.563 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.028 3.673 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.055 4.019 1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.576 4.932 1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.588 5.603 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.106 5.016 0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.126 7.242 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.549 6.548 2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.469 7.298 1.000 1.00 0.00 H new ATOM 635 N GLY A 57 -7.039 0.139 -0.453 1.00 0.00 N ATOM 636 CA GLY A 57 -7.876 -0.751 -1.233 1.00 0.00 C ATOM 637 C GLY A 57 -7.100 -1.893 -1.855 1.00 0.00 C ATOM 638 O GLY A 57 -7.361 -2.284 -2.991 1.00 0.00 O ATOM 0 H GLY A 57 -6.452 -0.321 0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.661 -1.157 -0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.369 -0.181 -2.021 1.00 0.00 H new ATOM 642 N LEU A 58 -6.132 -2.419 -1.121 1.00 0.00 N ATOM 643 CA LEU A 58 -5.353 -3.554 -1.590 1.00 0.00 C ATOM 644 C LEU A 58 -5.301 -4.636 -0.524 1.00 0.00 C ATOM 645 O LEU A 58 -5.040 -4.356 0.649 1.00 0.00 O ATOM 646 CB LEU A 58 -3.923 -3.135 -1.964 1.00 0.00 C ATOM 647 CG LEU A 58 -3.799 -2.179 -3.152 1.00 0.00 C ATOM 648 CD1 LEU A 58 -3.932 -0.731 -2.703 1.00 0.00 C ATOM 649 CD2 LEU A 58 -2.478 -2.402 -3.871 1.00 0.00 C ATOM 0 H LEU A 58 -5.867 -2.078 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.844 -3.944 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.463 -2.666 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.347 -4.034 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.612 -2.388 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.840 -0.072 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.906 -0.583 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.146 -0.499 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.402 -1.716 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.653 -2.222 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.430 -3.429 -4.234 1.00 0.00 H new ATOM 661 N THR A 59 -5.560 -5.867 -0.934 1.00 0.00 N ATOM 662 CA THR A 59 -5.470 -7.002 -0.035 1.00 0.00 C ATOM 663 C THR A 59 -4.016 -7.424 0.153 1.00 0.00 C ATOM 664 O THR A 59 -3.119 -6.853 -0.473 1.00 0.00 O ATOM 665 CB THR A 59 -6.306 -8.194 -0.540 1.00 0.00 C ATOM 666 OG1 THR A 59 -6.030 -8.449 -1.926 1.00 0.00 O ATOM 667 CG2 THR A 59 -7.791 -7.923 -0.354 1.00 0.00 C ATOM 0 H THR A 59 -5.835 -6.104 -1.887 1.00 0.00 H new ATOM 0 HA THR A 59 -5.877 -6.690 0.927 1.00 0.00 H new ATOM 0 HB THR A 59 -6.032 -9.072 0.044 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.465 -7.765 -2.477 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.365 -8.776 -0.716 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.003 -7.766 0.704 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.071 -7.032 -0.916 1.00 0.00 H new ATOM 675 N ASP A 60 -3.774 -8.414 1.001 1.00 0.00 N ATOM 676 CA ASP A 60 -2.407 -8.816 1.332 1.00 0.00 C ATOM 677 C ASP A 60 -1.632 -9.261 0.094 1.00 0.00 C ATOM 678 O ASP A 60 -0.454 -8.936 -0.056 1.00 0.00 O ATOM 679 CB ASP A 60 -2.401 -9.914 2.396 1.00 0.00 C ATOM 680 CG ASP A 60 -2.796 -9.387 3.764 1.00 0.00 C ATOM 681 OD1 ASP A 60 -3.997 -9.443 4.106 1.00 0.00 O ATOM 682 OD2 ASP A 60 -1.904 -8.933 4.509 1.00 0.00 O ATOM 0 H ASP A 60 -4.500 -8.954 1.472 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.903 -7.940 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.088 -10.707 2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.407 -10.358 2.452 1.00 0.00 H new ATOM 687 N GLU A 61 -2.302 -9.962 -0.811 1.00 0.00 N ATOM 688 CA GLU A 61 -1.656 -10.422 -2.036 1.00 0.00 C ATOM 689 C GLU A 61 -1.254 -9.239 -2.914 1.00 0.00 C ATOM 690 O GLU A 61 -0.242 -9.277 -3.612 1.00 0.00 O ATOM 691 CB GLU A 61 -2.580 -11.365 -2.818 1.00 0.00 C ATOM 692 CG GLU A 61 -3.891 -10.732 -3.260 1.00 0.00 C ATOM 693 CD GLU A 61 -4.634 -11.581 -4.271 1.00 0.00 C ATOM 694 OE1 GLU A 61 -5.538 -12.346 -3.862 1.00 0.00 O ATOM 695 OE2 GLU A 61 -4.329 -11.486 -5.476 1.00 0.00 O ATOM 0 H GLU A 61 -3.284 -10.223 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.756 -10.969 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.050 -11.727 -3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.800 -12.235 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.526 -10.572 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.690 -9.752 -3.692 1.00 0.00 H new ATOM 702 N GLU A 62 -2.057 -8.183 -2.869 1.00 0.00 N ATOM 703 CA GLU A 62 -1.842 -7.011 -3.700 1.00 0.00 C ATOM 704 C GLU A 62 -0.763 -6.104 -3.123 1.00 0.00 C ATOM 705 O GLU A 62 0.025 -5.512 -3.866 1.00 0.00 O ATOM 706 CB GLU A 62 -3.147 -6.245 -3.858 1.00 0.00 C ATOM 707 CG GLU A 62 -4.232 -7.063 -4.528 1.00 0.00 C ATOM 708 CD GLU A 62 -5.564 -6.361 -4.532 1.00 0.00 C ATOM 709 OE1 GLU A 62 -6.236 -6.350 -3.482 1.00 0.00 O ATOM 710 OE2 GLU A 62 -5.931 -5.807 -5.588 1.00 0.00 O ATOM 0 H GLU A 62 -2.871 -8.117 -2.258 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.499 -7.348 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.495 -5.923 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.965 -5.343 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.937 -7.281 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.331 -8.020 -4.015 1.00 0.00 H new ATOM 717 N ILE A 63 -0.720 -5.991 -1.800 1.00 0.00 N ATOM 718 CA ILE A 63 0.269 -5.137 -1.160 1.00 0.00 C ATOM 719 C ILE A 63 1.683 -5.649 -1.421 1.00 0.00 C ATOM 720 O ILE A 63 2.572 -4.856 -1.734 1.00 0.00 O ATOM 721 CB ILE A 63 0.019 -4.943 0.359 1.00 0.00 C ATOM 722 CG1 ILE A 63 1.226 -4.273 1.026 1.00 0.00 C ATOM 723 CG2 ILE A 63 -0.297 -6.257 1.031 1.00 0.00 C ATOM 724 CD1 ILE A 63 1.030 -3.975 2.499 1.00 0.00 C ATOM 0 H ILE A 63 -1.350 -6.473 -1.159 1.00 0.00 H new ATOM 0 HA ILE A 63 0.163 -4.152 -1.615 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.846 -4.289 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.097 -4.918 0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.446 -3.342 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.467 -6.090 2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.192 -6.689 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.540 -6.943 0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.928 -3.502 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.180 -3.304 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.841 -4.904 3.036 1.00 0.00 H new ATOM 736 N ASP A 64 1.911 -6.962 -1.334 1.00 0.00 N ATOM 737 CA ASP A 64 3.229 -7.469 -1.697 1.00 0.00 C ATOM 738 C ASP A 64 3.377 -7.540 -3.195 1.00 0.00 C ATOM 739 O ASP A 64 4.477 -7.598 -3.683 1.00 0.00 O ATOM 740 CB ASP A 64 3.590 -8.829 -1.092 1.00 0.00 C ATOM 741 CG ASP A 64 2.763 -9.988 -1.621 1.00 0.00 C ATOM 742 OD1 ASP A 64 3.168 -10.587 -2.642 1.00 0.00 O ATOM 743 OD2 ASP A 64 1.740 -10.328 -1.002 1.00 0.00 O ATOM 0 H ASP A 64 1.234 -7.662 -1.030 1.00 0.00 H new ATOM 0 HA ASP A 64 3.927 -6.750 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.643 -9.031 -1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.469 -8.776 -0.010 1.00 0.00 H new ATOM 748 N MET A 65 2.284 -7.543 -3.936 1.00 0.00 N ATOM 749 CA MET A 65 2.397 -7.477 -5.386 1.00 0.00 C ATOM 750 C MET A 65 3.071 -6.168 -5.790 1.00 0.00 C ATOM 751 O MET A 65 4.020 -6.156 -6.579 1.00 0.00 O ATOM 752 CB MET A 65 1.031 -7.596 -6.062 1.00 0.00 C ATOM 753 CG MET A 65 1.096 -7.659 -7.585 1.00 0.00 C ATOM 754 SD MET A 65 1.589 -9.278 -8.228 1.00 0.00 S ATOM 755 CE MET A 65 3.269 -9.439 -7.623 1.00 0.00 C ATOM 0 H MET A 65 1.332 -7.589 -3.573 1.00 0.00 H new ATOM 0 HA MET A 65 3.005 -8.319 -5.718 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.531 -8.491 -5.693 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.417 -6.744 -5.770 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.119 -7.399 -7.992 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.800 -6.907 -7.941 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.850 -10.045 -8.318 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.721 -8.451 -7.538 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.259 -9.919 -6.644 1.00 0.00 H new ATOM 765 N ALA A 66 2.600 -5.073 -5.205 1.00 0.00 N ATOM 766 CA ALA A 66 3.145 -3.755 -5.485 1.00 0.00 C ATOM 767 C ALA A 66 4.521 -3.586 -4.843 1.00 0.00 C ATOM 768 O ALA A 66 5.440 -3.036 -5.451 1.00 0.00 O ATOM 769 CB ALA A 66 2.185 -2.674 -5.001 1.00 0.00 C ATOM 0 H ALA A 66 1.836 -5.075 -4.529 1.00 0.00 H new ATOM 0 HA ALA A 66 3.266 -3.654 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.605 -1.691 -5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.229 -2.780 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.034 -2.776 -3.926 1.00 0.00 H new ATOM 775 N PHE A 67 4.667 -4.075 -3.616 1.00 0.00 N ATOM 776 CA PHE A 67 5.930 -3.946 -2.895 1.00 0.00 C ATOM 777 C PHE A 67 7.005 -4.874 -3.454 1.00 0.00 C ATOM 778 O PHE A 67 8.192 -4.539 -3.429 1.00 0.00 O ATOM 779 CB PHE A 67 5.738 -4.194 -1.395 1.00 0.00 C ATOM 780 CG PHE A 67 5.262 -2.975 -0.650 1.00 0.00 C ATOM 781 CD1 PHE A 67 5.757 -1.712 -0.939 1.00 0.00 C ATOM 782 CD2 PHE A 67 4.318 -3.104 0.354 1.00 0.00 C ATOM 783 CE1 PHE A 67 5.315 -0.605 -0.236 1.00 0.00 C ATOM 784 CE2 PHE A 67 3.875 -2.003 1.059 1.00 0.00 C ATOM 785 CZ PHE A 67 4.392 -0.698 0.686 1.00 0.00 C ATOM 0 H PHE A 67 3.932 -4.561 -3.102 1.00 0.00 H new ATOM 0 HA PHE A 67 6.272 -2.921 -3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.019 -5.001 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.682 -4.530 -0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.494 -1.591 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.922 -4.081 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.744 0.362 -0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.164 -2.109 1.865 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.016 0.192 1.168 1.00 0.00 H new ATOM 795 N GLN A 68 6.599 -6.025 -3.965 1.00 0.00 N ATOM 796 CA GLN A 68 7.543 -6.981 -4.519 1.00 0.00 C ATOM 797 C GLN A 68 8.175 -6.395 -5.777 1.00 0.00 C ATOM 798 O GLN A 68 9.397 -6.402 -5.943 1.00 0.00 O ATOM 799 CB GLN A 68 6.855 -8.304 -4.868 1.00 0.00 C ATOM 800 CG GLN A 68 7.793 -9.496 -4.884 1.00 0.00 C ATOM 801 CD GLN A 68 8.424 -9.752 -3.528 1.00 0.00 C ATOM 802 OE1 GLN A 68 9.502 -9.243 -3.228 1.00 0.00 O ATOM 803 NE2 GLN A 68 7.750 -10.534 -2.697 1.00 0.00 N ATOM 0 H GLN A 68 5.623 -6.319 -4.008 1.00 0.00 H new ATOM 0 HA GLN A 68 8.308 -7.180 -3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.059 -8.490 -4.147 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.384 -8.211 -5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.244 -10.383 -5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.578 -9.328 -5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.858 -10.937 -2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.123 -10.733 -1.769 1.00 0.00 H new ATOM 812 N GLN A 69 7.319 -5.860 -6.649 1.00 0.00 N ATOM 813 CA GLN A 69 7.760 -5.305 -7.924 1.00 0.00 C ATOM 814 C GLN A 69 8.543 -4.008 -7.736 1.00 0.00 C ATOM 815 O GLN A 69 9.437 -3.699 -8.523 1.00 0.00 O ATOM 816 CB GLN A 69 6.571 -5.052 -8.850 1.00 0.00 C ATOM 817 CG GLN A 69 5.845 -6.313 -9.289 1.00 0.00 C ATOM 818 CD GLN A 69 4.840 -6.038 -10.395 1.00 0.00 C ATOM 819 OE1 GLN A 69 5.031 -5.132 -11.204 1.00 0.00 O ATOM 820 NE2 GLN A 69 3.765 -6.811 -10.440 1.00 0.00 N ATOM 0 H GLN A 69 6.313 -5.801 -6.492 1.00 0.00 H new ATOM 0 HA GLN A 69 8.420 -6.043 -8.379 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.863 -4.396 -8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.921 -4.520 -9.735 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.572 -7.048 -9.635 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.331 -6.751 -8.434 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.641 -7.553 -9.751 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.061 -6.664 -11.164 1.00 0.00 H new ATOM 829 N SER A 70 8.208 -3.246 -6.701 1.00 0.00 N ATOM 830 CA SER A 70 8.889 -1.979 -6.447 1.00 0.00 C ATOM 831 C SER A 70 10.297 -2.207 -5.892 1.00 0.00 C ATOM 832 O SER A 70 11.088 -1.268 -5.774 1.00 0.00 O ATOM 833 CB SER A 70 8.068 -1.103 -5.495 1.00 0.00 C ATOM 834 OG SER A 70 7.628 -1.839 -4.370 1.00 0.00 O ATOM 0 H SER A 70 7.477 -3.479 -6.029 1.00 0.00 H new ATOM 0 HA SER A 70 8.985 -1.457 -7.399 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.671 -0.257 -5.165 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.207 -0.695 -6.024 1.00 0.00 H new ATOM 0 HG SER A 70 6.828 -2.353 -4.608 1.00 0.00 H new ATOM 840 N GLY A 71 10.602 -3.455 -5.556 1.00 0.00 N ATOM 841 CA GLY A 71 11.946 -3.808 -5.144 1.00 0.00 C ATOM 842 C GLY A 71 12.211 -3.554 -3.675 1.00 0.00 C ATOM 843 O GLY A 71 13.355 -3.325 -3.277 1.00 0.00 O ATOM 0 H GLY A 71 9.939 -4.231 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.119 -4.862 -5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.661 -3.239 -5.738 1.00 0.00 H new ATOM 847 N THR A 72 11.167 -3.600 -2.863 1.00 0.00 N ATOM 848 CA THR A 72 11.327 -3.416 -1.433 1.00 0.00 C ATOM 849 C THR A 72 11.850 -4.705 -0.797 1.00 0.00 C ATOM 850 O THR A 72 13.022 -4.779 -0.426 1.00 0.00 O ATOM 851 CB THR A 72 10.008 -2.979 -0.755 1.00 0.00 C ATOM 852 OG1 THR A 72 8.973 -3.939 -1.001 1.00 0.00 O ATOM 853 CG2 THR A 72 9.562 -1.617 -1.265 1.00 0.00 C ATOM 0 H THR A 72 10.207 -3.762 -3.168 1.00 0.00 H new ATOM 0 HA THR A 72 12.051 -2.616 -1.280 1.00 0.00 H new ATOM 0 HB THR A 72 10.192 -2.914 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.637 -3.831 -1.915 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.632 -1.331 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.331 -0.877 -1.045 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.403 -1.666 -2.342 1.00 0.00 H new ATOM 861 N ALA A 73 10.981 -5.714 -0.697 1.00 0.00 N ATOM 862 CA ALA A 73 11.361 -7.044 -0.214 1.00 0.00 C ATOM 863 C ALA A 73 12.074 -6.982 1.139 1.00 0.00 C ATOM 864 O ALA A 73 13.070 -7.668 1.365 1.00 0.00 O ATOM 865 CB ALA A 73 12.229 -7.750 -1.249 1.00 0.00 C ATOM 0 H ALA A 73 9.996 -5.632 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 73 10.445 -7.616 -0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.505 -8.737 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.673 -7.854 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 73 13.131 -7.164 -1.428 1.00 0.00 H new ATOM 871 N ALA A 74 11.562 -6.147 2.031 1.00 0.00 N ATOM 872 CA ALA A 74 12.120 -6.036 3.368 1.00 0.00 C ATOM 873 C ALA A 74 11.440 -7.022 4.311 1.00 0.00 C ATOM 874 O ALA A 74 12.099 -7.722 5.082 1.00 0.00 O ATOM 875 CB ALA A 74 11.972 -4.616 3.883 1.00 0.00 C ATOM 0 H ALA A 74 10.763 -5.538 1.853 1.00 0.00 H new ATOM 0 HA ALA A 74 13.182 -6.279 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.394 -4.547 4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.500 -3.931 3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.916 -4.349 3.915 1.00 0.00 H new ATOM 881 N ASP A 75 10.115 -7.074 4.231 1.00 0.00 N ATOM 882 CA ASP A 75 9.313 -7.988 5.037 1.00 0.00 C ATOM 883 C ASP A 75 7.939 -8.146 4.398 1.00 0.00 C ATOM 884 O ASP A 75 7.618 -7.458 3.420 1.00 0.00 O ATOM 885 CB ASP A 75 9.173 -7.478 6.480 1.00 0.00 C ATOM 886 CG ASP A 75 8.300 -6.243 6.591 1.00 0.00 C ATOM 887 OD1 ASP A 75 8.773 -5.140 6.258 1.00 0.00 O ATOM 888 OD2 ASP A 75 7.136 -6.367 7.014 1.00 0.00 O ATOM 0 H ASP A 75 9.566 -6.484 3.606 1.00 0.00 H new ATOM 0 HA ASP A 75 9.814 -8.955 5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.753 -8.270 7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.163 -7.253 6.878 1.00 0.00 H new ATOM 893 N GLU A 76 7.137 -9.048 4.943 1.00 0.00 N ATOM 894 CA GLU A 76 5.819 -9.332 4.397 1.00 0.00 C ATOM 895 C GLU A 76 4.743 -8.584 5.181 1.00 0.00 C ATOM 896 O GLU A 76 4.909 -8.321 6.370 1.00 0.00 O ATOM 897 CB GLU A 76 5.564 -10.840 4.406 1.00 0.00 C ATOM 898 CG GLU A 76 6.560 -11.610 3.551 1.00 0.00 C ATOM 899 CD GLU A 76 6.285 -13.096 3.514 1.00 0.00 C ATOM 900 OE1 GLU A 76 6.658 -13.798 4.477 1.00 0.00 O ATOM 901 OE2 GLU A 76 5.685 -13.563 2.526 1.00 0.00 O ATOM 0 H GLU A 76 7.378 -9.598 5.767 1.00 0.00 H new ATOM 0 HA GLU A 76 5.779 -8.985 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.613 -11.206 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.554 -11.036 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.537 -11.217 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.566 -11.442 3.935 1.00 0.00 H new TER 908 GLU A 76 ATOM 909 N SER B 101 4.243 17.017 6.502 1.00 0.00 N ATOM 910 CA SER B 101 2.959 16.701 5.844 1.00 0.00 C ATOM 911 C SER B 101 2.878 15.219 5.486 1.00 0.00 C ATOM 912 O SER B 101 2.767 14.848 4.314 1.00 0.00 O ATOM 913 CB SER B 101 2.805 17.567 4.593 1.00 0.00 C ATOM 914 OG SER B 101 3.991 17.550 3.816 1.00 0.00 O ATOM 0 HA SER B 101 2.144 16.918 6.535 1.00 0.00 H new ATOM 0 HB2 SER B 101 1.969 17.204 3.995 1.00 0.00 H new ATOM 0 HB3 SER B 101 2.569 18.591 4.882 1.00 0.00 H new ATOM 0 HG SER B 101 4.769 17.484 4.408 1.00 0.00 H new ATOM 922 N GLN B 102 2.923 14.367 6.505 1.00 0.00 N ATOM 923 CA GLN B 102 2.845 12.928 6.299 1.00 0.00 C ATOM 924 C GLN B 102 1.463 12.526 5.793 1.00 0.00 C ATOM 925 O GLN B 102 1.343 11.846 4.779 1.00 0.00 O ATOM 926 CB GLN B 102 3.150 12.176 7.596 1.00 0.00 C ATOM 927 CG GLN B 102 4.558 12.392 8.130 1.00 0.00 C ATOM 928 CD GLN B 102 5.634 11.876 7.192 1.00 0.00 C ATOM 929 OE1 GLN B 102 6.023 10.712 7.257 1.00 0.00 O ATOM 930 NE2 GLN B 102 6.143 12.744 6.334 1.00 0.00 N ATOM 0 H GLN B 102 3.013 14.649 7.481 1.00 0.00 H new ATOM 0 HA GLN B 102 3.590 12.662 5.549 1.00 0.00 H new ATOM 0 HB2 GLN B 102 2.434 12.485 8.358 1.00 0.00 H new ATOM 0 HB3 GLN B 102 2.997 11.110 7.428 1.00 0.00 H new ATOM 0 HG2 GLN B 102 4.715 13.456 8.304 1.00 0.00 H new ATOM 0 HG3 GLN B 102 4.655 11.894 9.095 1.00 0.00 H new ATOM 0 HE21 GLN B 102 5.794 13.702 6.310 1.00 0.00 H new ATOM 0 HE22 GLN B 102 6.885 12.455 5.696 1.00 0.00 H new ATOM 939 N GLU B 103 0.429 12.971 6.496 1.00 0.00 N ATOM 940 CA GLU B 103 -0.946 12.596 6.175 1.00 0.00 C ATOM 941 C GLU B 103 -1.306 13.032 4.754 1.00 0.00 C ATOM 942 O GLU B 103 -1.895 12.272 3.985 1.00 0.00 O ATOM 943 CB GLU B 103 -1.904 13.248 7.171 1.00 0.00 C ATOM 944 CG GLU B 103 -3.235 12.533 7.306 1.00 0.00 C ATOM 945 CD GLU B 103 -3.112 11.241 8.088 1.00 0.00 C ATOM 946 OE1 GLU B 103 -2.967 10.167 7.469 1.00 0.00 O ATOM 947 OE2 GLU B 103 -3.140 11.299 9.337 1.00 0.00 O ATOM 0 H GLU B 103 0.516 13.596 7.297 1.00 0.00 H new ATOM 0 HA GLU B 103 -1.034 11.511 6.240 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -1.424 13.287 8.149 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -2.086 14.278 6.863 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -3.950 13.190 7.802 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -3.633 12.319 6.314 1.00 0.00 H new ATOM 954 N LYS B 104 -0.921 14.259 4.416 1.00 0.00 N ATOM 955 CA LYS B 104 -1.198 14.841 3.105 1.00 0.00 C ATOM 956 C LYS B 104 -0.547 14.015 1.995 1.00 0.00 C ATOM 957 O LYS B 104 -1.068 13.922 0.884 1.00 0.00 O ATOM 958 CB LYS B 104 -0.672 16.281 3.083 1.00 0.00 C ATOM 959 CG LYS B 104 -1.169 17.135 1.926 1.00 0.00 C ATOM 960 CD LYS B 104 -0.731 18.582 2.109 1.00 0.00 C ATOM 961 CE LYS B 104 -1.375 19.518 1.097 1.00 0.00 C ATOM 962 NZ LYS B 104 -0.909 19.259 -0.288 1.00 0.00 N ATOM 0 H LYS B 104 -0.408 14.879 5.043 1.00 0.00 H new ATOM 0 HA LYS B 104 -2.274 14.840 2.929 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -0.951 16.767 4.018 1.00 0.00 H new ATOM 0 HB3 LYS B 104 0.417 16.252 3.051 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -0.779 16.746 0.985 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -2.256 17.082 1.867 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -0.986 18.911 3.117 1.00 0.00 H new ATOM 0 HD3 LYS B 104 0.353 18.644 2.018 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -2.458 19.406 1.140 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -1.150 20.550 1.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -0.787 20.163 -0.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -0.001 18.753 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -1.613 18.679 -0.788 1.00 0.00 H new ATOM 976 N PHE B 105 0.582 13.400 2.321 1.00 0.00 N ATOM 977 CA PHE B 105 1.333 12.584 1.373 1.00 0.00 C ATOM 978 C PHE B 105 0.612 11.264 1.118 1.00 0.00 C ATOM 979 O PHE B 105 0.617 10.747 0.005 1.00 0.00 O ATOM 980 CB PHE B 105 2.737 12.322 1.932 1.00 0.00 C ATOM 981 CG PHE B 105 3.812 12.193 0.891 1.00 0.00 C ATOM 982 CD1 PHE B 105 4.555 13.290 0.493 1.00 0.00 C ATOM 983 CD2 PHE B 105 4.062 10.966 0.297 1.00 0.00 C ATOM 984 CE1 PHE B 105 5.531 13.166 -0.479 1.00 0.00 C ATOM 985 CE2 PHE B 105 5.037 10.834 -0.673 1.00 0.00 C ATOM 986 CZ PHE B 105 5.829 11.970 -1.008 1.00 0.00 C ATOM 0 H PHE B 105 1.004 13.452 3.248 1.00 0.00 H new ATOM 0 HA PHE B 105 1.413 13.117 0.426 1.00 0.00 H new ATOM 0 HB2 PHE B 105 3.001 13.134 2.609 1.00 0.00 H new ATOM 0 HB3 PHE B 105 2.713 11.408 2.525 1.00 0.00 H new ATOM 0 HD1 PHE B 105 4.371 14.253 0.946 1.00 0.00 H new ATOM 0 HD2 PHE B 105 3.487 10.102 0.596 1.00 0.00 H new ATOM 0 HE1 PHE B 105 6.061 14.044 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE B 105 5.196 9.887 -1.168 1.00 0.00 H new ATOM 0 HZ PHE B 105 6.665 11.869 -1.684 1.00 0.00 H new ATOM 996 N PHE B 106 -0.032 10.740 2.153 1.00 0.00 N ATOM 997 CA PHE B 106 -0.686 9.440 2.073 1.00 0.00 C ATOM 998 C PHE B 106 -2.054 9.534 1.394 1.00 0.00 C ATOM 999 O PHE B 106 -2.591 8.531 0.913 1.00 0.00 O ATOM 1000 CB PHE B 106 -0.841 8.835 3.474 1.00 0.00 C ATOM 1001 CG PHE B 106 0.462 8.638 4.199 1.00 0.00 C ATOM 1002 CD1 PHE B 106 0.605 9.019 5.526 1.00 0.00 C ATOM 1003 CD2 PHE B 106 1.549 8.074 3.550 1.00 0.00 C ATOM 1004 CE1 PHE B 106 1.801 8.831 6.189 1.00 0.00 C ATOM 1005 CE2 PHE B 106 2.748 7.886 4.209 1.00 0.00 C ATOM 1006 CZ PHE B 106 2.862 8.278 5.552 1.00 0.00 C ATOM 0 H PHE B 106 -0.116 11.197 3.061 1.00 0.00 H new ATOM 0 HA PHE B 106 -0.053 8.793 1.466 1.00 0.00 H new ATOM 0 HB2 PHE B 106 -1.483 9.483 4.070 1.00 0.00 H new ATOM 0 HB3 PHE B 106 -1.348 7.874 3.390 1.00 0.00 H new ATOM 0 HD1 PHE B 106 -0.229 9.468 6.046 1.00 0.00 H new ATOM 0 HD2 PHE B 106 1.457 7.778 2.516 1.00 0.00 H new ATOM 0 HE1 PHE B 106 1.892 9.127 7.224 1.00 0.00 H new ATOM 0 HE2 PHE B 106 3.589 7.442 3.697 1.00 0.00 H new ATOM 0 HZ PHE B 106 3.795 8.139 6.078 1.00 0.00 H new ATOM 1016 N GLN B 107 -2.628 10.726 1.370 1.00 0.00 N ATOM 1017 CA GLN B 107 -3.932 10.919 0.749 1.00 0.00 C ATOM 1018 C GLN B 107 -3.797 11.466 -0.671 1.00 0.00 C ATOM 1019 O GLN B 107 -4.163 10.799 -1.639 1.00 0.00 O ATOM 1020 CB GLN B 107 -4.795 11.858 1.603 1.00 0.00 C ATOM 1021 CG GLN B 107 -6.163 12.148 1.000 1.00 0.00 C ATOM 1022 CD GLN B 107 -7.030 13.026 1.886 1.00 0.00 C ATOM 1023 OE1 GLN B 107 -6.935 12.988 3.114 1.00 0.00 O ATOM 1024 NE2 GLN B 107 -7.877 13.834 1.267 1.00 0.00 N ATOM 0 H GLN B 107 -2.217 11.570 1.770 1.00 0.00 H new ATOM 0 HA GLN B 107 -4.421 9.947 0.687 1.00 0.00 H new ATOM 0 HB2 GLN B 107 -4.929 11.416 2.591 1.00 0.00 H new ATOM 0 HB3 GLN B 107 -4.263 12.799 1.744 1.00 0.00 H new ATOM 0 HG2 GLN B 107 -6.032 12.634 0.033 1.00 0.00 H new ATOM 0 HG3 GLN B 107 -6.679 11.206 0.815 1.00 0.00 H new ATOM 0 HE21 GLN B 107 -7.927 13.837 0.248 1.00 0.00 H new ATOM 0 HE22 GLN B 107 -8.479 14.453 1.809 1.00 0.00 H new ATOM 1033 N GLU B 108 -3.236 12.662 -0.787 1.00 0.00 N ATOM 1034 CA GLU B 108 -3.231 13.396 -2.050 1.00 0.00 C ATOM 1035 C GLU B 108 -2.428 12.682 -3.133 1.00 0.00 C ATOM 1036 O GLU B 108 -2.794 12.705 -4.310 1.00 0.00 O ATOM 1037 CB GLU B 108 -2.660 14.795 -1.831 1.00 0.00 C ATOM 1038 CG GLU B 108 -2.709 15.679 -3.065 1.00 0.00 C ATOM 1039 CD GLU B 108 -2.075 17.032 -2.826 1.00 0.00 C ATOM 1040 OE1 GLU B 108 -2.189 17.547 -1.700 1.00 0.00 O ATOM 1041 OE2 GLU B 108 -1.473 17.593 -3.764 1.00 0.00 O ATOM 0 H GLU B 108 -2.775 13.149 -0.018 1.00 0.00 H new ATOM 0 HA GLU B 108 -4.264 13.458 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -3.212 15.280 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -1.625 14.707 -1.500 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -2.197 15.180 -3.888 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -3.746 15.815 -3.371 1.00 0.00 H new ATOM 1048 N LEU B 109 -1.342 12.043 -2.736 1.00 0.00 N ATOM 1049 CA LEU B 109 -0.431 11.439 -3.696 1.00 0.00 C ATOM 1050 C LEU B 109 -0.963 10.092 -4.178 1.00 0.00 C ATOM 1051 O LEU B 109 -0.397 9.476 -5.079 1.00 0.00 O ATOM 1052 CB LEU B 109 0.956 11.286 -3.068 1.00 0.00 C ATOM 1053 CG LEU B 109 2.125 11.329 -4.050 1.00 0.00 C ATOM 1054 CD1 LEU B 109 3.223 12.228 -3.513 1.00 0.00 C ATOM 1055 CD2 LEU B 109 2.665 9.932 -4.304 1.00 0.00 C ATOM 0 H LEU B 109 -1.069 11.928 -1.760 1.00 0.00 H new ATOM 0 HA LEU B 109 -0.352 12.092 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU B 109 1.093 12.078 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU B 109 0.990 10.339 -2.529 1.00 0.00 H new ATOM 0 HG LEU B 109 1.767 11.734 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU B 109 4.052 12.252 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU B 109 2.833 13.237 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU B 109 3.574 11.842 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU B 109 3.497 9.986 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU B 109 3.010 9.499 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU B 109 1.876 9.308 -4.723 1.00 0.00 H new ATOM 1067 N PHE B 110 -2.071 9.648 -3.599 1.00 0.00 N ATOM 1068 CA PHE B 110 -2.654 8.367 -3.969 1.00 0.00 C ATOM 1069 C PHE B 110 -3.830 8.564 -4.924 1.00 0.00 C ATOM 1070 O PHE B 110 -4.420 7.597 -5.407 1.00 0.00 O ATOM 1071 CB PHE B 110 -3.107 7.597 -2.727 1.00 0.00 C ATOM 1072 CG PHE B 110 -3.192 6.113 -2.958 1.00 0.00 C ATOM 1073 CD1 PHE B 110 -4.413 5.513 -3.216 1.00 0.00 C ATOM 1074 CD2 PHE B 110 -2.056 5.318 -2.908 1.00 0.00 C ATOM 1075 CE1 PHE B 110 -4.503 4.149 -3.420 1.00 0.00 C ATOM 1076 CE2 PHE B 110 -2.139 3.955 -3.112 1.00 0.00 C ATOM 1077 CZ PHE B 110 -3.330 3.373 -3.405 1.00 0.00 C ATOM 0 H PHE B 110 -2.581 10.154 -2.875 1.00 0.00 H new ATOM 0 HA PHE B 110 -1.887 7.783 -4.478 1.00 0.00 H new ATOM 0 HB2 PHE B 110 -2.412 7.793 -1.910 1.00 0.00 H new ATOM 0 HB3 PHE B 110 -4.083 7.967 -2.412 1.00 0.00 H new ATOM 0 HD1 PHE B 110 -5.306 6.119 -3.258 1.00 0.00 H new ATOM 0 HD2 PHE B 110 -1.096 5.770 -2.707 1.00 0.00 H new ATOM 0 HE1 PHE B 110 -5.463 3.684 -3.589 1.00 0.00 H new ATOM 0 HE2 PHE B 110 -1.249 3.347 -3.038 1.00 0.00 H new ATOM 0 HZ PHE B 110 -3.377 2.317 -3.626 1.00 0.00 H new ATOM 1087 N ASP B 111 -4.180 9.823 -5.174 1.00 0.00 N ATOM 1088 CA ASP B 111 -5.317 10.151 -6.039 1.00 0.00 C ATOM 1089 C ASP B 111 -5.172 9.533 -7.427 1.00 0.00 C ATOM 1090 O ASP B 111 -6.077 8.852 -7.908 1.00 0.00 O ATOM 1091 CB ASP B 111 -5.478 11.667 -6.168 1.00 0.00 C ATOM 1092 CG ASP B 111 -6.573 12.052 -7.148 1.00 0.00 C ATOM 1093 OD1 ASP B 111 -6.272 12.723 -8.158 1.00 0.00 O ATOM 1094 OD2 ASP B 111 -7.739 11.672 -6.925 1.00 0.00 O ATOM 0 H ASP B 111 -3.695 10.635 -4.792 1.00 0.00 H new ATOM 0 HA ASP B 111 -6.206 9.730 -5.570 1.00 0.00 H new ATOM 0 HB2 ASP B 111 -5.705 12.090 -5.189 1.00 0.00 H new ATOM 0 HB3 ASP B 111 -4.534 12.104 -6.493 1.00 0.00 H new ATOM 1099 N SER B 112 -4.036 9.768 -8.061 1.00 0.00 N ATOM 1100 CA SER B 112 -3.792 9.256 -9.395 1.00 0.00 C ATOM 1101 C SER B 112 -2.291 9.144 -9.622 1.00 0.00 C ATOM 1102 O SER B 112 -1.608 10.187 -9.565 1.00 0.00 O ATOM 1103 CB SER B 112 -4.431 10.183 -10.438 1.00 0.00 C ATOM 1104 OG SER B 112 -4.548 9.549 -11.703 1.00 0.00 O ATOM 1105 OXT SER B 112 -1.797 8.018 -9.839 1.00 0.00 O ATOM 0 H SER B 112 -3.267 10.312 -7.670 1.00 0.00 H new ATOM 0 HA SER B 112 -4.241 8.268 -9.497 1.00 0.00 H new ATOM 0 HB2 SER B 112 -5.418 10.493 -10.094 1.00 0.00 H new ATOM 0 HB3 SER B 112 -3.830 11.087 -10.538 1.00 0.00 H new ATOM 0 HG SER B 112 -4.960 10.167 -12.342 1.00 0.00 H new TER 1111 SER B 112