USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 704 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 71 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 SER OG : rot 91:sc= 0.388 USER MOD Set 2.1: A 17 GLN : amide:sc= -0.845 K(o=-1.6,f=-3.3!) USER MOD Set 2.2: A 20 GLN : amide:sc= -0.779 K(o=-1.6,f=-6.3!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= -0.101 (180deg=-1.14) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.407 K(o=-0.41,f=-3.1!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.33) USER MOD Single : A 14 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.8!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.01 K(o=-1,f=-0.39) USER MOD Single : A 27 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.07) USER MOD Single : A 29 TYR OH : rot -140:sc= -2.07! USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= -0.0403 (180deg=-0.104) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.344 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0814 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.11) USER MOD Single : A 44 LYS NZ :NH3+ -122:sc= 0.0787 (180deg=-0.00978) USER MOD Single : A 46 THR OG1 : rot 69:sc= 0.00738 USER MOD Single : A 48 MET CE :methyl -153:sc= -6.07! (180deg=-8.69!) USER MOD Single : A 55 GLN : amide:sc= -0.0239 X(o=-0.024,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 70 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -111:sc= -1.08 (180deg=-2.46!) USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0297) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 89 THR OG1 : rot 110:sc= -1.7! USER MOD Single : A 91 GLN : amide:sc= 0.0264 K(o=0.026,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.907 -14.253 9.817 1.00 0.00 N ATOM 2 CA GLY A 1 -30.900 -13.614 8.473 1.00 0.00 C ATOM 3 C GLY A 1 -31.529 -14.492 7.407 1.00 0.00 C ATOM 4 O GLY A 1 -30.837 -14.971 6.509 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.295 -13.588 10.516 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.496 -15.110 9.791 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.935 -14.509 10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.437 -12.667 8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.873 -13.384 8.189 1.00 0.00 H new ATOM 10 N PRO A 2 -32.851 -14.722 7.479 1.00 0.00 N ATOM 11 CA PRO A 2 -33.565 -15.551 6.502 1.00 0.00 C ATOM 12 C PRO A 2 -33.621 -14.896 5.125 1.00 0.00 C ATOM 13 O PRO A 2 -33.719 -13.675 5.012 1.00 0.00 O ATOM 14 CB PRO A 2 -34.971 -15.678 7.095 1.00 0.00 C ATOM 15 CG PRO A 2 -35.124 -14.488 7.977 1.00 0.00 C ATOM 16 CD PRO A 2 -33.753 -14.187 8.515 1.00 0.00 C ATOM 0 HA PRO A 2 -33.072 -16.510 6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -35.730 -15.690 6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -35.080 -16.604 7.659 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -35.519 -13.638 7.420 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -35.824 -14.691 8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -33.606 -13.117 8.662 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -33.586 -14.667 9.479 1.00 0.00 H new ATOM 24 N LEU A 3 -33.559 -15.716 4.082 1.00 0.00 N ATOM 25 CA LEU A 3 -33.598 -15.216 2.711 1.00 0.00 C ATOM 26 C LEU A 3 -35.034 -14.940 2.271 1.00 0.00 C ATOM 27 O LEU A 3 -35.915 -15.784 2.430 1.00 0.00 O ATOM 28 CB LEU A 3 -32.938 -16.218 1.758 1.00 0.00 C ATOM 29 CG LEU A 3 -33.308 -17.686 1.991 1.00 0.00 C ATOM 30 CD1 LEU A 3 -33.497 -18.405 0.664 1.00 0.00 C ATOM 31 CD2 LEU A 3 -32.241 -18.383 2.825 1.00 0.00 C ATOM 0 H LEU A 3 -33.482 -16.730 4.159 1.00 0.00 H new ATOM 0 HA LEU A 3 -33.043 -14.278 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -33.205 -15.951 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -31.856 -16.116 1.842 1.00 0.00 H new ATOM 0 HG LEU A 3 -34.249 -17.718 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -33.759 -19.447 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -34.296 -17.924 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -32.571 -18.360 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -32.523 -19.425 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -31.285 -18.339 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -32.151 -17.885 3.790 1.00 0.00 H new ATOM 43 N GLY A 4 -35.264 -13.751 1.720 1.00 0.00 N ATOM 44 CA GLY A 4 -36.594 -13.386 1.270 1.00 0.00 C ATOM 45 C GLY A 4 -36.914 -13.931 -0.108 1.00 0.00 C ATOM 46 O GLY A 4 -36.339 -14.932 -0.537 1.00 0.00 O ATOM 0 H GLY A 4 -34.552 -13.035 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -37.330 -13.758 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -36.684 -12.300 1.257 1.00 0.00 H new ATOM 50 N SER A 5 -37.837 -13.274 -0.802 1.00 0.00 N ATOM 51 CA SER A 5 -38.237 -13.699 -2.136 1.00 0.00 C ATOM 52 C SER A 5 -37.192 -13.313 -3.183 1.00 0.00 C ATOM 53 O SER A 5 -36.723 -14.165 -3.939 1.00 0.00 O ATOM 54 CB SER A 5 -39.595 -13.098 -2.499 1.00 0.00 C ATOM 55 OG SER A 5 -40.387 -12.892 -1.343 1.00 0.00 O ATOM 0 H SER A 5 -38.322 -12.444 -0.461 1.00 0.00 H new ATOM 0 HA SER A 5 -38.318 -14.786 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 5 -39.450 -12.150 -3.018 1.00 0.00 H new ATOM 0 HB3 SER A 5 -40.117 -13.762 -3.188 1.00 0.00 H new ATOM 0 HG SER A 5 -41.249 -12.505 -1.602 1.00 0.00 H new ATOM 61 N PRO A 6 -36.807 -12.024 -3.250 1.00 0.00 N ATOM 62 CA PRO A 6 -35.814 -11.556 -4.222 1.00 0.00 C ATOM 63 C PRO A 6 -34.402 -12.015 -3.877 1.00 0.00 C ATOM 64 O PRO A 6 -33.964 -11.903 -2.732 1.00 0.00 O ATOM 65 CB PRO A 6 -35.921 -10.033 -4.131 1.00 0.00 C ATOM 66 CG PRO A 6 -36.406 -9.770 -2.749 1.00 0.00 C ATOM 67 CD PRO A 6 -37.303 -10.926 -2.395 1.00 0.00 C ATOM 0 HA PRO A 6 -36.002 -11.951 -5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -34.957 -9.557 -4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -36.613 -9.640 -4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -35.572 -9.695 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -36.949 -8.826 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -37.233 -11.179 -1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -38.349 -10.699 -2.600 1.00 0.00 H new ATOM 75 N ARG A 7 -33.695 -12.533 -4.875 1.00 0.00 N ATOM 76 CA ARG A 7 -32.333 -13.011 -4.679 1.00 0.00 C ATOM 77 C ARG A 7 -31.332 -11.868 -4.800 1.00 0.00 C ATOM 78 O ARG A 7 -30.796 -11.608 -5.877 1.00 0.00 O ATOM 79 CB ARG A 7 -32.000 -14.104 -5.696 1.00 0.00 C ATOM 80 CG ARG A 7 -32.858 -15.350 -5.555 1.00 0.00 C ATOM 81 CD ARG A 7 -32.279 -16.312 -4.531 1.00 0.00 C ATOM 82 NE ARG A 7 -32.302 -17.695 -5.003 1.00 0.00 N ATOM 83 CZ ARG A 7 -33.322 -18.530 -4.815 1.00 0.00 C ATOM 84 NH1 ARG A 7 -34.415 -18.128 -4.176 1.00 0.00 N ATOM 85 NH2 ARG A 7 -33.253 -19.773 -5.274 1.00 0.00 N ATOM 0 H ARG A 7 -34.044 -12.632 -5.828 1.00 0.00 H new ATOM 0 HA ARG A 7 -32.264 -13.427 -3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -32.121 -13.702 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -30.951 -14.381 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -33.868 -15.066 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -32.938 -15.849 -6.521 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -31.253 -16.024 -4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -32.845 -16.237 -3.602 1.00 0.00 H new ATOM 0 HE ARG A 7 -31.486 -18.042 -5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -34.478 -17.173 -3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -35.191 -18.775 -4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -32.419 -20.088 -5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -34.034 -20.414 -5.131 1.00 0.00 H new ATOM 99 N ASN A 8 -31.086 -11.187 -3.686 1.00 0.00 N ATOM 100 CA ASN A 8 -30.150 -10.071 -3.666 1.00 0.00 C ATOM 101 C ASN A 8 -28.728 -10.560 -3.426 1.00 0.00 C ATOM 102 O ASN A 8 -28.350 -10.883 -2.299 1.00 0.00 O ATOM 103 CB ASN A 8 -30.543 -9.068 -2.583 1.00 0.00 C ATOM 104 CG ASN A 8 -31.840 -8.352 -2.904 1.00 0.00 C ATOM 105 OD1 ASN A 8 -31.940 -7.644 -3.907 1.00 0.00 O ATOM 106 ND2 ASN A 8 -32.843 -8.535 -2.053 1.00 0.00 N ATOM 0 H ASN A 8 -31.522 -11.389 -2.786 1.00 0.00 H new ATOM 0 HA ASN A 8 -30.189 -9.580 -4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -30.644 -9.587 -1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -29.746 -8.334 -2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -33.741 -8.080 -2.218 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -32.715 -9.130 -1.235 1.00 0.00 H new ATOM 113 N ALA A 9 -27.944 -10.614 -4.496 1.00 0.00 N ATOM 114 CA ALA A 9 -26.563 -11.063 -4.413 1.00 0.00 C ATOM 115 C ALA A 9 -25.704 -10.071 -3.635 1.00 0.00 C ATOM 116 O ALA A 9 -25.537 -8.923 -4.046 1.00 0.00 O ATOM 117 CB ALA A 9 -26.002 -11.269 -5.810 1.00 0.00 C ATOM 0 H ALA A 9 -28.245 -10.351 -5.435 1.00 0.00 H new ATOM 0 HA ALA A 9 -26.543 -12.011 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -24.967 -11.605 -5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -26.594 -12.021 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -26.042 -10.329 -6.360 1.00 0.00 H new ATOM 123 N ASN A 10 -25.162 -10.523 -2.508 1.00 0.00 N ATOM 124 CA ASN A 10 -24.322 -9.678 -1.668 1.00 0.00 C ATOM 125 C ASN A 10 -22.862 -9.738 -2.116 1.00 0.00 C ATOM 126 O ASN A 10 -22.313 -8.750 -2.602 1.00 0.00 O ATOM 127 CB ASN A 10 -24.437 -10.108 -0.202 1.00 0.00 C ATOM 128 CG ASN A 10 -25.136 -9.071 0.656 1.00 0.00 C ATOM 129 OD1 ASN A 10 -25.436 -7.967 0.201 1.00 0.00 O ATOM 130 ND2 ASN A 10 -25.396 -9.422 1.911 1.00 0.00 N ATOM 0 H ASN A 10 -25.290 -11.472 -2.156 1.00 0.00 H new ATOM 0 HA ASN A 10 -24.669 -8.650 -1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -24.983 -11.050 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -23.440 -10.293 0.198 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -25.862 -8.766 2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -25.130 -10.348 2.247 1.00 0.00 H new ATOM 137 N ASP A 11 -22.237 -10.900 -1.941 1.00 0.00 N ATOM 138 CA ASP A 11 -20.839 -11.081 -2.321 1.00 0.00 C ATOM 139 C ASP A 11 -20.677 -11.201 -3.838 1.00 0.00 C ATOM 140 O ASP A 11 -19.561 -11.132 -4.353 1.00 0.00 O ATOM 141 CB ASP A 11 -20.249 -12.311 -1.626 1.00 0.00 C ATOM 142 CG ASP A 11 -18.926 -12.013 -0.947 1.00 0.00 C ATOM 143 OD1 ASP A 11 -18.700 -10.842 -0.574 1.00 0.00 O ATOM 144 OD2 ASP A 11 -18.115 -12.950 -0.786 1.00 0.00 O ATOM 0 H ASP A 11 -22.676 -11.729 -1.539 1.00 0.00 H new ATOM 0 HA ASP A 11 -20.294 -10.195 -1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -20.958 -12.682 -0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -20.107 -13.106 -2.358 1.00 0.00 H new ATOM 149 N ASN A 12 -21.789 -11.370 -4.552 1.00 0.00 N ATOM 150 CA ASN A 12 -21.750 -11.485 -6.009 1.00 0.00 C ATOM 151 C ASN A 12 -21.720 -10.103 -6.662 1.00 0.00 C ATOM 152 O ASN A 12 -22.401 -9.859 -7.658 1.00 0.00 O ATOM 153 CB ASN A 12 -22.961 -12.271 -6.513 1.00 0.00 C ATOM 154 CG ASN A 12 -22.683 -13.005 -7.811 1.00 0.00 C ATOM 155 OD1 ASN A 12 -23.046 -12.540 -8.891 1.00 0.00 O ATOM 156 ND2 ASN A 12 -22.035 -14.160 -7.710 1.00 0.00 N ATOM 0 H ASN A 12 -22.724 -11.430 -4.148 1.00 0.00 H new ATOM 0 HA ASN A 12 -20.840 -12.019 -6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -23.265 -12.990 -5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -23.798 -11.588 -6.659 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -21.820 -14.699 -8.549 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -21.753 -14.508 -6.794 1.00 0.00 H new ATOM 163 N ASN A 13 -20.931 -9.201 -6.086 1.00 0.00 N ATOM 164 CA ASN A 13 -20.808 -7.841 -6.598 1.00 0.00 C ATOM 165 C ASN A 13 -19.602 -7.131 -5.984 1.00 0.00 C ATOM 166 O ASN A 13 -19.001 -6.256 -6.607 1.00 0.00 O ATOM 167 CB ASN A 13 -22.089 -7.056 -6.305 1.00 0.00 C ATOM 168 CG ASN A 13 -22.860 -6.711 -7.565 1.00 0.00 C ATOM 169 OD1 ASN A 13 -22.681 -5.637 -8.141 1.00 0.00 O ATOM 170 ND2 ASN A 13 -23.723 -7.622 -8.001 1.00 0.00 N ATOM 0 H ASN A 13 -20.364 -9.390 -5.259 1.00 0.00 H new ATOM 0 HA ASN A 13 -20.657 -7.892 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -22.726 -7.641 -5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.835 -6.138 -5.775 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -24.269 -7.445 -8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.840 -8.499 -7.493 1.00 0.00 H new ATOM 177 N GLN A 14 -19.260 -7.515 -4.760 1.00 0.00 N ATOM 178 CA GLN A 14 -18.131 -6.923 -4.052 1.00 0.00 C ATOM 179 C GLN A 14 -16.846 -7.702 -4.311 1.00 0.00 C ATOM 180 O GLN A 14 -15.874 -7.159 -4.835 1.00 0.00 O ATOM 181 CB GLN A 14 -18.410 -6.884 -2.550 1.00 0.00 C ATOM 182 CG GLN A 14 -17.711 -5.741 -1.833 1.00 0.00 C ATOM 183 CD GLN A 14 -18.683 -4.798 -1.154 1.00 0.00 C ATOM 184 OE1 GLN A 14 -19.817 -5.168 -0.854 1.00 0.00 O ATOM 185 NE2 GLN A 14 -18.241 -3.571 -0.912 1.00 0.00 N ATOM 0 H GLN A 14 -19.751 -8.238 -4.234 1.00 0.00 H new ATOM 0 HA GLN A 14 -18.001 -5.907 -4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.485 -6.799 -2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -18.095 -7.828 -2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.026 -6.148 -1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -17.108 -5.182 -2.549 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.292 -3.309 -1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.850 -2.890 -0.459 1.00 0.00 H new ATOM 194 N PHE A 15 -16.843 -8.978 -3.936 1.00 0.00 N ATOM 195 CA PHE A 15 -15.671 -9.826 -4.125 1.00 0.00 C ATOM 196 C PHE A 15 -15.694 -10.503 -5.494 1.00 0.00 C ATOM 197 O PHE A 15 -15.263 -11.647 -5.638 1.00 0.00 O ATOM 198 CB PHE A 15 -15.597 -10.880 -3.018 1.00 0.00 C ATOM 199 CG PHE A 15 -14.495 -10.639 -2.027 1.00 0.00 C ATOM 200 CD1 PHE A 15 -13.208 -11.089 -2.277 1.00 0.00 C ATOM 201 CD2 PHE A 15 -14.747 -9.971 -0.840 1.00 0.00 C ATOM 202 CE1 PHE A 15 -12.193 -10.875 -1.364 1.00 0.00 C ATOM 203 CE2 PHE A 15 -13.737 -9.755 0.078 1.00 0.00 C ATOM 204 CZ PHE A 15 -12.458 -10.209 -0.184 1.00 0.00 C ATOM 0 H PHE A 15 -17.637 -9.446 -3.500 1.00 0.00 H new ATOM 0 HA PHE A 15 -14.785 -9.193 -4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.550 -10.906 -2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.457 -11.861 -3.472 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -12.996 -11.613 -3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.745 -9.615 -0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.194 -11.228 -1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -13.947 -9.232 0.999 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.668 -10.043 0.533 1.00 0.00 H new ATOM 214 N TYR A 16 -16.193 -9.788 -6.499 1.00 0.00 N ATOM 215 CA TYR A 16 -16.265 -10.319 -7.855 1.00 0.00 C ATOM 216 C TYR A 16 -15.034 -9.909 -8.656 1.00 0.00 C ATOM 217 O TYR A 16 -14.401 -10.737 -9.311 1.00 0.00 O ATOM 218 CB TYR A 16 -17.532 -9.817 -8.554 1.00 0.00 C ATOM 219 CG TYR A 16 -17.948 -10.660 -9.739 1.00 0.00 C ATOM 220 CD1 TYR A 16 -18.426 -11.951 -9.564 1.00 0.00 C ATOM 221 CD2 TYR A 16 -17.867 -10.160 -11.034 1.00 0.00 C ATOM 222 CE1 TYR A 16 -18.813 -12.722 -10.644 1.00 0.00 C ATOM 223 CE2 TYR A 16 -18.251 -10.926 -12.119 1.00 0.00 C ATOM 224 CZ TYR A 16 -18.723 -12.205 -11.919 1.00 0.00 C ATOM 225 OH TYR A 16 -19.108 -12.968 -13.001 1.00 0.00 O ATOM 0 H TYR A 16 -16.553 -8.839 -6.399 1.00 0.00 H new ATOM 0 HA TYR A 16 -16.298 -11.407 -7.796 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -18.349 -9.792 -7.833 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.370 -8.792 -8.888 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -18.497 -12.360 -8.567 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.498 -9.158 -11.195 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.184 -13.724 -10.490 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -18.181 -10.524 -13.119 1.00 0.00 H new ATOM 0 HH TYR A 16 -18.982 -12.454 -13.826 1.00 0.00 H new ATOM 235 N GLN A 17 -14.699 -8.624 -8.593 1.00 0.00 N ATOM 236 CA GLN A 17 -13.541 -8.094 -9.302 1.00 0.00 C ATOM 237 C GLN A 17 -12.298 -8.161 -8.420 1.00 0.00 C ATOM 238 O GLN A 17 -11.601 -7.164 -8.228 1.00 0.00 O ATOM 239 CB GLN A 17 -13.806 -6.650 -9.734 1.00 0.00 C ATOM 240 CG GLN A 17 -14.536 -6.535 -11.061 1.00 0.00 C ATOM 241 CD GLN A 17 -15.243 -5.203 -11.220 1.00 0.00 C ATOM 242 OE1 GLN A 17 -15.488 -4.497 -10.242 1.00 0.00 O ATOM 243 NE2 GLN A 17 -15.576 -4.851 -12.456 1.00 0.00 N ATOM 0 H GLN A 17 -15.216 -7.928 -8.055 1.00 0.00 H new ATOM 0 HA GLN A 17 -13.368 -8.702 -10.190 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -14.392 -6.151 -8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.856 -6.121 -9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -13.824 -6.665 -11.876 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -15.265 -7.342 -11.143 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -15.354 -5.466 -13.239 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -16.054 -3.965 -12.623 1.00 0.00 H new ATOM 252 N GLN A 18 -12.032 -9.348 -7.884 1.00 0.00 N ATOM 253 CA GLN A 18 -10.879 -9.561 -7.017 1.00 0.00 C ATOM 254 C GLN A 18 -9.580 -9.190 -7.727 1.00 0.00 C ATOM 255 O GLN A 18 -8.651 -8.667 -7.112 1.00 0.00 O ATOM 256 CB GLN A 18 -10.810 -11.028 -6.572 1.00 0.00 C ATOM 257 CG GLN A 18 -12.016 -11.497 -5.768 1.00 0.00 C ATOM 258 CD GLN A 18 -12.318 -12.974 -5.976 1.00 0.00 C ATOM 259 OE1 GLN A 18 -12.063 -13.527 -7.046 1.00 0.00 O ATOM 260 NE2 GLN A 18 -12.866 -13.622 -4.950 1.00 0.00 N ATOM 0 H GLN A 18 -12.602 -10.180 -8.036 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.999 -8.919 -6.145 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.709 -11.659 -7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.911 -11.172 -5.973 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.836 -11.312 -4.709 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.888 -10.908 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.062 -13.127 -4.080 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.090 -14.614 -5.034 1.00 0.00 H new ATOM 269 N LYS A 19 -9.515 -9.484 -9.021 1.00 0.00 N ATOM 270 CA LYS A 19 -8.321 -9.203 -9.808 1.00 0.00 C ATOM 271 C LYS A 19 -8.140 -7.709 -10.065 1.00 0.00 C ATOM 272 O LYS A 19 -7.030 -7.257 -10.336 1.00 0.00 O ATOM 273 CB LYS A 19 -8.364 -9.972 -11.131 1.00 0.00 C ATOM 274 CG LYS A 19 -7.077 -10.720 -11.433 1.00 0.00 C ATOM 275 CD LYS A 19 -6.066 -9.826 -12.130 1.00 0.00 C ATOM 276 CE LYS A 19 -4.687 -10.464 -12.153 1.00 0.00 C ATOM 277 NZ LYS A 19 -3.796 -9.832 -13.166 1.00 0.00 N ATOM 0 H LYS A 19 -10.275 -9.917 -9.546 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.461 -9.537 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.191 -10.682 -11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.569 -9.274 -11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.650 -11.101 -10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.295 -11.584 -12.061 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.395 -9.629 -13.150 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.015 -8.864 -11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.232 -10.379 -11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.783 -11.528 -12.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.866 -10.297 -13.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.217 -9.935 -14.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.682 -8.822 -12.946 1.00 0.00 H new ATOM 291 N GLN A 20 -9.226 -6.948 -9.974 1.00 0.00 N ATOM 292 CA GLN A 20 -9.168 -5.503 -10.198 1.00 0.00 C ATOM 293 C GLN A 20 -8.603 -4.783 -8.976 1.00 0.00 C ATOM 294 O GLN A 20 -7.672 -3.984 -9.090 1.00 0.00 O ATOM 295 CB GLN A 20 -10.558 -4.958 -10.531 1.00 0.00 C ATOM 296 CG GLN A 20 -11.181 -5.597 -11.763 1.00 0.00 C ATOM 297 CD GLN A 20 -11.876 -4.588 -12.657 1.00 0.00 C ATOM 298 OE1 GLN A 20 -12.882 -3.992 -12.273 1.00 0.00 O ATOM 299 NE2 GLN A 20 -11.341 -4.393 -13.857 1.00 0.00 N ATOM 0 H GLN A 20 -10.155 -7.304 -9.748 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.504 -5.320 -11.043 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.216 -5.117 -9.677 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.490 -3.881 -10.685 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.406 -6.109 -12.333 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.899 -6.355 -11.450 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.506 -4.910 -14.133 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.765 -3.727 -14.502 1.00 0.00 H new ATOM 308 N ARG A 21 -9.163 -5.079 -7.807 1.00 0.00 N ATOM 309 CA ARG A 21 -8.709 -4.469 -6.561 1.00 0.00 C ATOM 310 C ARG A 21 -7.196 -4.559 -6.437 1.00 0.00 C ATOM 311 O ARG A 21 -6.502 -3.544 -6.376 1.00 0.00 O ATOM 312 CB ARG A 21 -9.362 -5.167 -5.377 1.00 0.00 C ATOM 313 CG ARG A 21 -10.872 -5.026 -5.357 1.00 0.00 C ATOM 314 CD ARG A 21 -11.522 -6.147 -4.570 1.00 0.00 C ATOM 315 NE ARG A 21 -10.889 -6.339 -3.269 1.00 0.00 N ATOM 316 CZ ARG A 21 -11.461 -6.983 -2.259 1.00 0.00 C ATOM 317 NH1 ARG A 21 -12.684 -7.480 -2.390 1.00 0.00 N ATOM 318 NH2 ARG A 21 -10.811 -7.129 -1.112 1.00 0.00 N ATOM 0 H ARG A 21 -9.933 -5.739 -7.696 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.995 -3.417 -6.568 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.103 -6.226 -5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.953 -4.759 -4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.143 -4.066 -4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.253 -5.028 -6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.580 -5.925 -4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.464 -7.073 -5.142 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.954 -5.957 -3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.189 -7.368 -3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.120 -7.974 -1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.871 -6.746 -1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.251 -7.624 -0.336 1.00 0.00 H new ATOM 332 N GLN A 22 -6.691 -5.786 -6.403 1.00 0.00 N ATOM 333 CA GLN A 22 -5.260 -6.016 -6.291 1.00 0.00 C ATOM 334 C GLN A 22 -4.516 -5.422 -7.482 1.00 0.00 C ATOM 335 O GLN A 22 -3.332 -5.111 -7.385 1.00 0.00 O ATOM 336 CB GLN A 22 -4.964 -7.513 -6.186 1.00 0.00 C ATOM 337 CG GLN A 22 -4.880 -8.015 -4.755 1.00 0.00 C ATOM 338 CD GLN A 22 -3.634 -7.526 -4.043 1.00 0.00 C ATOM 339 OE1 GLN A 22 -3.710 -6.973 -2.945 1.00 0.00 O ATOM 340 NE2 GLN A 22 -2.478 -7.723 -4.667 1.00 0.00 N ATOM 0 H GLN A 22 -7.253 -6.636 -6.452 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.912 -5.521 -5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.742 -8.067 -6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.023 -7.726 -6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.762 -7.686 -4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.892 -9.105 -4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.461 -8.186 -5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.607 -7.412 -4.237 1.00 0.00 H new ATOM 349 N ALA A 23 -5.213 -5.266 -8.606 1.00 0.00 N ATOM 350 CA ALA A 23 -4.597 -4.709 -9.811 1.00 0.00 C ATOM 351 C ALA A 23 -4.005 -3.333 -9.542 1.00 0.00 C ATOM 352 O ALA A 23 -2.784 -3.158 -9.525 1.00 0.00 O ATOM 353 CB ALA A 23 -5.608 -4.620 -10.944 1.00 0.00 C ATOM 0 H ALA A 23 -6.197 -5.515 -8.709 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.792 -5.382 -10.106 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.127 -4.203 -11.829 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.987 -5.616 -11.172 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.435 -3.977 -10.644 1.00 0.00 H new ATOM 359 N LEU A 24 -4.879 -2.357 -9.335 1.00 0.00 N ATOM 360 CA LEU A 24 -4.450 -1.001 -9.070 1.00 0.00 C ATOM 361 C LEU A 24 -3.793 -0.913 -7.700 1.00 0.00 C ATOM 362 O LEU A 24 -2.852 -0.148 -7.500 1.00 0.00 O ATOM 363 CB LEU A 24 -5.646 -0.057 -9.165 1.00 0.00 C ATOM 364 CG LEU A 24 -5.975 0.433 -10.576 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.785 1.157 -11.190 1.00 0.00 C ATOM 366 CD2 LEU A 24 -6.400 -0.738 -11.446 1.00 0.00 C ATOM 0 H LEU A 24 -5.891 -2.485 -9.347 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.712 -0.704 -9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.522 -0.563 -8.759 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.457 0.809 -8.531 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.801 1.142 -10.515 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.043 1.496 -12.193 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.524 2.016 -10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.934 0.478 -11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.633 -0.380 -12.449 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.590 -1.465 -11.499 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.283 -1.210 -11.015 1.00 0.00 H new ATOM 378 N GLY A 25 -4.279 -1.708 -6.753 1.00 0.00 N ATOM 379 CA GLY A 25 -3.706 -1.685 -5.421 1.00 0.00 C ATOM 380 C GLY A 25 -2.237 -2.052 -5.445 1.00 0.00 C ATOM 381 O GLY A 25 -1.424 -1.438 -4.751 1.00 0.00 O ATOM 0 H GLY A 25 -5.052 -2.361 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.827 -0.692 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.246 -2.381 -4.779 1.00 0.00 H new ATOM 385 N GLU A 26 -1.882 -3.038 -6.267 1.00 0.00 N ATOM 386 CA GLU A 26 -0.490 -3.442 -6.384 1.00 0.00 C ATOM 387 C GLU A 26 0.350 -2.252 -6.827 1.00 0.00 C ATOM 388 O GLU A 26 1.519 -2.136 -6.459 1.00 0.00 O ATOM 389 CB GLU A 26 -0.327 -4.599 -7.376 1.00 0.00 C ATOM 390 CG GLU A 26 0.565 -5.718 -6.861 1.00 0.00 C ATOM 391 CD GLU A 26 0.106 -7.088 -7.322 1.00 0.00 C ATOM 392 OE1 GLU A 26 0.545 -7.528 -8.405 1.00 0.00 O ATOM 393 OE2 GLU A 26 -0.694 -7.721 -6.600 1.00 0.00 O ATOM 0 H GLU A 26 -2.532 -3.563 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.150 -3.789 -5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.310 -5.007 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.088 -4.213 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.587 -5.548 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.582 -5.692 -5.771 1.00 0.00 H new ATOM 400 N GLN A 27 -0.255 -1.354 -7.612 1.00 0.00 N ATOM 401 CA GLN A 27 0.457 -0.170 -8.075 1.00 0.00 C ATOM 402 C GLN A 27 0.972 0.630 -6.886 1.00 0.00 C ATOM 403 O GLN A 27 2.032 1.249 -6.951 1.00 0.00 O ATOM 404 CB GLN A 27 -0.431 0.713 -8.952 1.00 0.00 C ATOM 405 CG GLN A 27 -0.500 0.259 -10.402 1.00 0.00 C ATOM 406 CD GLN A 27 -0.317 1.402 -11.381 1.00 0.00 C ATOM 407 OE1 GLN A 27 0.803 1.854 -11.621 1.00 0.00 O ATOM 408 NE2 GLN A 27 -1.417 1.875 -11.955 1.00 0.00 N ATOM 0 H GLN A 27 -1.220 -1.426 -7.933 1.00 0.00 H new ATOM 0 HA GLN A 27 1.300 -0.505 -8.680 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.439 0.727 -8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.058 1.737 -8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.268 -0.493 -10.580 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.463 -0.219 -10.584 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.325 1.471 -11.727 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.354 2.643 -12.624 1.00 0.00 H new ATOM 417 N LEU A 28 0.212 0.600 -5.797 1.00 0.00 N ATOM 418 CA LEU A 28 0.583 1.310 -4.579 1.00 0.00 C ATOM 419 C LEU A 28 1.944 0.840 -4.082 1.00 0.00 C ATOM 420 O LEU A 28 2.815 1.646 -3.754 1.00 0.00 O ATOM 421 CB LEU A 28 -0.474 1.072 -3.495 1.00 0.00 C ATOM 422 CG LEU A 28 -0.627 2.196 -2.467 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.060 3.481 -3.146 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.625 1.802 -1.389 1.00 0.00 C ATOM 0 H LEU A 28 -0.669 0.089 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 28 0.640 2.376 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.437 0.913 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.227 0.151 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 28 0.341 2.364 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.164 4.269 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.311 3.774 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.017 3.325 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.720 2.613 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.595 1.606 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.275 0.903 -0.880 1.00 0.00 H new ATOM 436 N TYR A 29 2.110 -0.475 -4.025 1.00 0.00 N ATOM 437 CA TYR A 29 3.358 -1.072 -3.559 1.00 0.00 C ATOM 438 C TYR A 29 4.506 -0.826 -4.542 1.00 0.00 C ATOM 439 O TYR A 29 5.574 -0.360 -4.150 1.00 0.00 O ATOM 440 CB TYR A 29 3.162 -2.573 -3.327 1.00 0.00 C ATOM 441 CG TYR A 29 4.441 -3.327 -3.035 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.228 -3.010 -1.931 1.00 0.00 C ATOM 443 CD2 TYR A 29 4.859 -4.359 -3.863 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.395 -3.703 -1.666 1.00 0.00 C ATOM 445 CE2 TYR A 29 6.021 -5.056 -3.604 1.00 0.00 C ATOM 446 CZ TYR A 29 6.785 -4.725 -2.506 1.00 0.00 C ATOM 447 OH TYR A 29 7.940 -5.422 -2.248 1.00 0.00 O ATOM 0 H TYR A 29 1.396 -1.151 -4.296 1.00 0.00 H new ATOM 0 HA TYR A 29 3.629 -0.595 -2.617 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.472 -2.714 -2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.691 -3.007 -4.209 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.922 -2.211 -1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.264 -4.621 -4.725 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.997 -3.446 -0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.330 -5.857 -4.259 1.00 0.00 H new ATOM 0 HH TYR A 29 8.410 -5.600 -3.090 1.00 0.00 H new ATOM 457 N LYS A 30 4.286 -1.150 -5.815 1.00 0.00 N ATOM 458 CA LYS A 30 5.316 -0.966 -6.838 1.00 0.00 C ATOM 459 C LYS A 30 5.757 0.496 -6.925 1.00 0.00 C ATOM 460 O LYS A 30 6.913 0.788 -7.234 1.00 0.00 O ATOM 461 CB LYS A 30 4.804 -1.442 -8.202 1.00 0.00 C ATOM 462 CG LYS A 30 3.751 -0.528 -8.809 1.00 0.00 C ATOM 463 CD LYS A 30 3.208 -1.078 -10.124 1.00 0.00 C ATOM 464 CE LYS A 30 3.834 -0.386 -11.325 1.00 0.00 C ATOM 465 NZ LYS A 30 5.321 -0.472 -11.314 1.00 0.00 N ATOM 0 H LYS A 30 3.409 -1.539 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 30 6.181 -1.565 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.646 -1.520 -8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.386 -2.443 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.931 -0.401 -8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.182 0.459 -8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.403 -2.149 -10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.126 -0.949 -10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.453 -0.837 -12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.533 0.661 -11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.694 -0.156 -12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.698 0.136 -10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.611 -1.456 -11.143 1.00 0.00 H new ATOM 479 N LYS A 31 4.826 1.410 -6.664 1.00 0.00 N ATOM 480 CA LYS A 31 5.120 2.837 -6.725 1.00 0.00 C ATOM 481 C LYS A 31 6.200 3.217 -5.718 1.00 0.00 C ATOM 482 O LYS A 31 7.016 4.103 -5.972 1.00 0.00 O ATOM 483 CB LYS A 31 3.854 3.652 -6.464 1.00 0.00 C ATOM 484 CG LYS A 31 3.902 5.055 -7.044 1.00 0.00 C ATOM 485 CD LYS A 31 3.203 5.130 -8.393 1.00 0.00 C ATOM 486 CE LYS A 31 4.107 4.669 -9.526 1.00 0.00 C ATOM 487 NZ LYS A 31 3.354 4.506 -10.802 1.00 0.00 N ATOM 0 H LYS A 31 3.864 1.187 -6.409 1.00 0.00 H new ATOM 0 HA LYS A 31 5.489 3.062 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.999 3.123 -6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.690 3.718 -5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.431 5.752 -6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.940 5.368 -7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.305 4.513 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.882 6.155 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.910 5.392 -9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.574 3.722 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.004 4.191 -11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.603 3.798 -10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.929 5.416 -11.073 1.00 0.00 H new ATOM 501 N VAL A 32 6.209 2.531 -4.583 1.00 0.00 N ATOM 502 CA VAL A 32 7.205 2.787 -3.552 1.00 0.00 C ATOM 503 C VAL A 32 8.515 2.090 -3.894 1.00 0.00 C ATOM 504 O VAL A 32 9.585 2.695 -3.830 1.00 0.00 O ATOM 505 CB VAL A 32 6.730 2.314 -2.169 1.00 0.00 C ATOM 506 CG1 VAL A 32 7.656 2.835 -1.082 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.295 2.750 -1.913 1.00 0.00 C ATOM 0 H VAL A 32 5.540 1.796 -4.354 1.00 0.00 H new ATOM 0 HA VAL A 32 7.357 3.866 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 32 6.759 1.225 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.305 2.491 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.666 2.464 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.662 3.925 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.980 2.404 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.233 3.837 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.643 2.321 -2.674 1.00 0.00 H new ATOM 517 N SER A 33 8.425 0.815 -4.274 1.00 0.00 N ATOM 518 CA SER A 33 9.607 0.038 -4.642 1.00 0.00 C ATOM 519 C SER A 33 10.128 0.431 -6.026 1.00 0.00 C ATOM 520 O SER A 33 11.011 -0.231 -6.571 1.00 0.00 O ATOM 521 CB SER A 33 9.303 -1.463 -4.612 1.00 0.00 C ATOM 522 OG SER A 33 7.975 -1.732 -5.036 1.00 0.00 O ATOM 0 H SER A 33 7.547 0.300 -4.335 1.00 0.00 H new ATOM 0 HA SER A 33 10.381 0.260 -3.907 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.006 -1.991 -5.256 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.448 -1.845 -3.601 1.00 0.00 H new ATOM 0 HG SER A 33 7.812 -2.698 -5.007 1.00 0.00 H new ATOM 528 N ALA A 34 9.591 1.513 -6.588 1.00 0.00 N ATOM 529 CA ALA A 34 10.022 1.986 -7.897 1.00 0.00 C ATOM 530 C ALA A 34 11.503 2.357 -7.888 1.00 0.00 C ATOM 531 O ALA A 34 12.105 2.560 -8.942 1.00 0.00 O ATOM 532 CB ALA A 34 9.187 3.182 -8.323 1.00 0.00 C ATOM 0 H ALA A 34 8.858 2.076 -6.156 1.00 0.00 H new ATOM 0 HA ALA A 34 9.879 1.177 -8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.518 3.527 -9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.137 2.893 -8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.306 3.986 -7.596 1.00 0.00 H new ATOM 538 N LYS A 35 12.089 2.448 -6.695 1.00 0.00 N ATOM 539 CA LYS A 35 13.499 2.800 -6.565 1.00 0.00 C ATOM 540 C LYS A 35 14.344 1.568 -6.241 1.00 0.00 C ATOM 541 O LYS A 35 15.568 1.594 -6.373 1.00 0.00 O ATOM 542 CB LYS A 35 13.682 3.854 -5.469 1.00 0.00 C ATOM 543 CG LYS A 35 13.926 5.255 -6.005 1.00 0.00 C ATOM 544 CD LYS A 35 13.514 6.319 -5.000 1.00 0.00 C ATOM 545 CE LYS A 35 12.308 7.104 -5.488 1.00 0.00 C ATOM 546 NZ LYS A 35 12.703 8.216 -6.394 1.00 0.00 N ATOM 0 H LYS A 35 11.610 2.283 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 35 13.834 3.208 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.794 3.866 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.521 3.565 -4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.982 5.373 -6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.368 5.393 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.282 5.849 -4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.347 7.000 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.625 6.434 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.766 7.507 -4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.853 8.728 -6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.334 8.869 -5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.198 7.829 -7.223 1.00 0.00 H new ATOM 560 N THR A 36 13.685 0.491 -5.821 1.00 0.00 N ATOM 561 CA THR A 36 14.376 -0.748 -5.483 1.00 0.00 C ATOM 562 C THR A 36 13.378 -1.851 -5.149 1.00 0.00 C ATOM 563 O THR A 36 12.220 -1.578 -4.832 1.00 0.00 O ATOM 564 CB THR A 36 15.320 -0.528 -4.301 1.00 0.00 C ATOM 565 OG1 THR A 36 15.959 -1.739 -3.938 1.00 0.00 O ATOM 566 CG2 THR A 36 14.626 0.011 -3.068 1.00 0.00 C ATOM 0 H THR A 36 12.672 0.452 -5.707 1.00 0.00 H new ATOM 0 HA THR A 36 14.959 -1.056 -6.351 1.00 0.00 H new ATOM 0 HB THR A 36 16.041 0.214 -4.644 1.00 0.00 H new ATOM 0 HG1 THR A 36 16.560 -1.578 -3.181 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.355 0.143 -2.269 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.165 0.971 -3.300 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.858 -0.692 -2.746 1.00 0.00 H new ATOM 574 N SER A 37 13.834 -3.100 -5.220 1.00 0.00 N ATOM 575 CA SER A 37 12.977 -4.246 -4.924 1.00 0.00 C ATOM 576 C SER A 37 13.019 -4.600 -3.438 1.00 0.00 C ATOM 577 O SER A 37 13.020 -5.775 -3.068 1.00 0.00 O ATOM 578 CB SER A 37 13.404 -5.455 -5.757 1.00 0.00 C ATOM 579 OG SER A 37 13.763 -5.069 -7.070 1.00 0.00 O ATOM 0 H SER A 37 14.790 -3.344 -5.479 1.00 0.00 H new ATOM 0 HA SER A 37 11.954 -3.973 -5.182 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.248 -5.951 -5.277 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.590 -6.178 -5.797 1.00 0.00 H new ATOM 0 HG SER A 37 14.034 -5.860 -7.581 1.00 0.00 H new ATOM 585 N ASN A 38 13.040 -3.575 -2.594 1.00 0.00 N ATOM 586 CA ASN A 38 13.064 -3.768 -1.151 1.00 0.00 C ATOM 587 C ASN A 38 11.669 -4.105 -0.631 1.00 0.00 C ATOM 588 O ASN A 38 10.847 -3.214 -0.414 1.00 0.00 O ATOM 589 CB ASN A 38 13.593 -2.516 -0.458 1.00 0.00 C ATOM 590 CG ASN A 38 14.873 -2.772 0.313 1.00 0.00 C ATOM 591 OD1 ASN A 38 14.964 -3.725 1.087 1.00 0.00 O ATOM 592 ND2 ASN A 38 15.868 -1.919 0.105 1.00 0.00 N ATOM 0 H ASN A 38 13.041 -2.598 -2.887 1.00 0.00 H new ATOM 0 HA ASN A 38 13.729 -4.602 -0.928 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.771 -1.741 -1.203 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.833 -2.134 0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.754 -2.039 0.596 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.747 -1.143 -0.546 1.00 0.00 H new ATOM 599 N GLU A 39 11.403 -5.390 -0.439 1.00 0.00 N ATOM 600 CA GLU A 39 10.100 -5.835 0.046 1.00 0.00 C ATOM 601 C GLU A 39 9.787 -5.251 1.421 1.00 0.00 C ATOM 602 O GLU A 39 8.622 -5.081 1.781 1.00 0.00 O ATOM 603 CB GLU A 39 10.053 -7.363 0.098 1.00 0.00 C ATOM 604 CG GLU A 39 9.431 -7.992 -1.136 1.00 0.00 C ATOM 605 CD GLU A 39 10.194 -9.212 -1.614 1.00 0.00 C ATOM 606 OE1 GLU A 39 11.441 -9.196 -1.541 1.00 0.00 O ATOM 607 OE2 GLU A 39 9.546 -10.182 -2.060 1.00 0.00 O ATOM 0 H GLU A 39 12.070 -6.143 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 39 9.342 -5.475 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.066 -7.746 0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.488 -7.672 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.402 -8.275 -0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.395 -7.254 -1.937 1.00 0.00 H new ATOM 614 N GLU A 40 10.829 -4.949 2.183 1.00 0.00 N ATOM 615 CA GLU A 40 10.662 -4.385 3.515 1.00 0.00 C ATOM 616 C GLU A 40 10.479 -2.866 3.457 1.00 0.00 C ATOM 617 O GLU A 40 9.909 -2.264 4.367 1.00 0.00 O ATOM 618 CB GLU A 40 11.867 -4.739 4.387 1.00 0.00 C ATOM 619 CG GLU A 40 12.230 -6.214 4.351 1.00 0.00 C ATOM 620 CD GLU A 40 13.524 -6.509 5.084 1.00 0.00 C ATOM 621 OE1 GLU A 40 14.601 -6.187 4.539 1.00 0.00 O ATOM 622 OE2 GLU A 40 13.460 -7.057 6.204 1.00 0.00 O ATOM 0 H GLU A 40 11.800 -5.085 1.901 1.00 0.00 H new ATOM 0 HA GLU A 40 9.762 -4.814 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.726 -4.154 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.658 -4.450 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.423 -6.795 4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.321 -6.538 3.314 1.00 0.00 H new ATOM 629 N ALA A 41 10.969 -2.254 2.383 1.00 0.00 N ATOM 630 CA ALA A 41 10.863 -0.809 2.207 1.00 0.00 C ATOM 631 C ALA A 41 9.472 -0.403 1.759 1.00 0.00 C ATOM 632 O ALA A 41 8.710 0.203 2.511 1.00 0.00 O ATOM 633 CB ALA A 41 11.873 -0.330 1.189 1.00 0.00 C ATOM 0 H ALA A 41 11.444 -2.737 1.620 1.00 0.00 H new ATOM 0 HA ALA A 41 11.064 -0.347 3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.783 0.749 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.879 -0.574 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.686 -0.820 0.233 1.00 0.00 H new ATOM 639 N ALA A 42 9.152 -0.733 0.515 1.00 0.00 N ATOM 640 CA ALA A 42 7.862 -0.402 -0.053 1.00 0.00 C ATOM 641 C ALA A 42 6.744 -0.966 0.806 1.00 0.00 C ATOM 642 O ALA A 42 5.684 -0.355 0.943 1.00 0.00 O ATOM 643 CB ALA A 42 7.775 -0.905 -1.484 1.00 0.00 C ATOM 0 H ALA A 42 9.775 -1.232 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 42 7.749 0.682 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.800 -0.650 -1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.558 -0.439 -2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.904 -1.987 -1.498 1.00 0.00 H new ATOM 649 N GLY A 43 6.999 -2.116 1.422 1.00 0.00 N ATOM 650 CA GLY A 43 6.011 -2.710 2.296 1.00 0.00 C ATOM 651 C GLY A 43 5.750 -1.829 3.502 1.00 0.00 C ATOM 652 O GLY A 43 4.674 -1.880 4.099 1.00 0.00 O ATOM 0 H GLY A 43 7.868 -2.643 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.082 -2.866 1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.355 -3.691 2.625 1.00 0.00 H new ATOM 656 N LYS A 44 6.743 -1.011 3.853 1.00 0.00 N ATOM 657 CA LYS A 44 6.621 -0.101 4.986 1.00 0.00 C ATOM 658 C LYS A 44 5.676 1.051 4.649 1.00 0.00 C ATOM 659 O LYS A 44 4.639 1.225 5.288 1.00 0.00 O ATOM 660 CB LYS A 44 8.001 0.439 5.380 1.00 0.00 C ATOM 661 CG LYS A 44 8.442 0.035 6.778 1.00 0.00 C ATOM 662 CD LYS A 44 8.432 -1.476 6.956 1.00 0.00 C ATOM 663 CE LYS A 44 8.442 -1.865 8.426 1.00 0.00 C ATOM 664 NZ LYS A 44 9.608 -2.727 8.767 1.00 0.00 N ATOM 0 H LYS A 44 7.639 -0.962 3.368 1.00 0.00 H new ATOM 0 HA LYS A 44 6.205 -0.651 5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.739 0.085 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.988 1.527 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.445 0.417 6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.782 0.493 7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.548 -1.894 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.301 -1.908 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.465 -0.964 9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.519 -2.391 8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.270 -3.627 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.164 -2.914 7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.205 -2.242 9.467 1.00 0.00 H new ATOM 678 N ILE A 45 6.034 1.826 3.630 1.00 0.00 N ATOM 679 CA ILE A 45 5.212 2.951 3.197 1.00 0.00 C ATOM 680 C ILE A 45 3.855 2.468 2.698 1.00 0.00 C ATOM 681 O ILE A 45 2.835 3.118 2.914 1.00 0.00 O ATOM 682 CB ILE A 45 5.897 3.740 2.069 1.00 0.00 C ATOM 683 CG1 ILE A 45 7.305 4.166 2.488 1.00 0.00 C ATOM 684 CG2 ILE A 45 5.060 4.951 1.677 1.00 0.00 C ATOM 685 CD1 ILE A 45 8.106 4.731 1.354 1.00 0.00 C ATOM 0 H ILE A 45 6.888 1.696 3.088 1.00 0.00 H new ATOM 0 HA ILE A 45 5.078 3.601 4.061 1.00 0.00 H new ATOM 0 HB ILE A 45 5.983 3.090 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.233 4.910 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.830 3.306 2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.561 5.496 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.081 4.620 1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.938 5.604 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.095 5.015 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.206 3.980 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.600 5.609 0.953 1.00 0.00 H new ATOM 697 N THR A 46 3.848 1.325 2.025 1.00 0.00 N ATOM 698 CA THR A 46 2.611 0.768 1.497 1.00 0.00 C ATOM 699 C THR A 46 1.623 0.490 2.625 1.00 0.00 C ATOM 700 O THR A 46 0.414 0.652 2.459 1.00 0.00 O ATOM 701 CB THR A 46 2.890 -0.516 0.710 1.00 0.00 C ATOM 702 OG1 THR A 46 3.702 -0.242 -0.421 1.00 0.00 O ATOM 703 CG2 THR A 46 1.635 -1.202 0.212 1.00 0.00 C ATOM 0 H THR A 46 4.681 0.768 1.833 1.00 0.00 H new ATOM 0 HA THR A 46 2.170 1.501 0.821 1.00 0.00 H new ATOM 0 HB THR A 46 3.393 -1.180 1.413 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.600 0.014 -0.124 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.907 -2.104 -0.337 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.005 -1.469 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.089 -0.527 -0.447 1.00 0.00 H new ATOM 711 N GLY A 47 2.144 0.058 3.769 1.00 0.00 N ATOM 712 CA GLY A 47 1.291 -0.250 4.901 1.00 0.00 C ATOM 713 C GLY A 47 0.516 0.954 5.401 1.00 0.00 C ATOM 714 O GLY A 47 -0.648 0.827 5.784 1.00 0.00 O ATOM 0 H GLY A 47 3.141 -0.084 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.590 -1.035 4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.902 -0.645 5.713 1.00 0.00 H new ATOM 718 N MET A 48 1.147 2.127 5.392 1.00 0.00 N ATOM 719 CA MET A 48 0.483 3.345 5.843 1.00 0.00 C ATOM 720 C MET A 48 -0.504 3.824 4.783 1.00 0.00 C ATOM 721 O MET A 48 -1.633 4.199 5.100 1.00 0.00 O ATOM 722 CB MET A 48 1.505 4.436 6.182 1.00 0.00 C ATOM 723 CG MET A 48 2.099 5.143 4.976 1.00 0.00 C ATOM 724 SD MET A 48 1.304 6.723 4.630 1.00 0.00 S ATOM 725 CE MET A 48 2.549 7.849 5.249 1.00 0.00 C ATOM 0 H MET A 48 2.109 2.258 5.080 1.00 0.00 H new ATOM 0 HA MET A 48 -0.070 3.123 6.755 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.027 5.177 6.822 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.314 3.990 6.760 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.163 5.306 5.144 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.010 4.498 4.102 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.075 8.780 5.560 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.056 7.398 6.102 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.275 8.056 4.463 1.00 0.00 H new ATOM 735 N ILE A 49 -0.084 3.776 3.519 1.00 0.00 N ATOM 736 CA ILE A 49 -0.950 4.172 2.416 1.00 0.00 C ATOM 737 C ILE A 49 -2.022 3.103 2.184 1.00 0.00 C ATOM 738 O ILE A 49 -2.929 3.272 1.370 1.00 0.00 O ATOM 739 CB ILE A 49 -0.150 4.390 1.114 1.00 0.00 C ATOM 740 CG1 ILE A 49 1.086 5.261 1.374 1.00 0.00 C ATOM 741 CG2 ILE A 49 -1.032 5.033 0.057 1.00 0.00 C ATOM 742 CD1 ILE A 49 2.145 5.152 0.296 1.00 0.00 C ATOM 0 H ILE A 49 0.847 3.468 3.237 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.421 5.117 2.687 1.00 0.00 H new ATOM 0 HB ILE A 49 0.185 3.418 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.774 6.302 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.524 4.978 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.456 5.181 -0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.882 4.384 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.391 5.996 0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.988 5.795 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.485 4.119 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.724 5.463 -0.660 1.00 0.00 H new ATOM 754 N LEU A 50 -1.914 2.007 2.939 1.00 0.00 N ATOM 755 CA LEU A 50 -2.866 0.908 2.858 1.00 0.00 C ATOM 756 C LEU A 50 -4.175 1.272 3.563 1.00 0.00 C ATOM 757 O LEU A 50 -5.008 0.405 3.829 1.00 0.00 O ATOM 758 CB LEU A 50 -2.263 -0.349 3.488 1.00 0.00 C ATOM 759 CG LEU A 50 -2.302 -1.599 2.611 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.739 -1.999 2.315 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.528 -1.371 1.319 1.00 0.00 C ATOM 0 H LEU A 50 -1.167 1.861 3.618 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.084 0.715 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.226 -0.142 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.792 -0.560 4.417 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.826 -2.415 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.747 -2.891 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.259 -2.207 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.243 -1.185 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.567 -2.272 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.972 -0.541 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.490 -1.136 1.553 1.00 0.00 H new ATOM 773 N ASP A 51 -4.353 2.560 3.860 1.00 0.00 N ATOM 774 CA ASP A 51 -5.557 3.037 4.525 1.00 0.00 C ATOM 775 C ASP A 51 -6.674 3.271 3.514 1.00 0.00 C ATOM 776 O ASP A 51 -7.854 3.260 3.867 1.00 0.00 O ATOM 777 CB ASP A 51 -5.260 4.332 5.288 1.00 0.00 C ATOM 778 CG ASP A 51 -5.175 4.119 6.786 1.00 0.00 C ATOM 779 OD1 ASP A 51 -4.279 3.371 7.230 1.00 0.00 O ATOM 780 OD2 ASP A 51 -6.003 4.704 7.517 1.00 0.00 O ATOM 0 H ASP A 51 -3.674 3.291 3.648 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.885 2.274 5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.320 4.753 4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.039 5.063 5.072 1.00 0.00 H new ATOM 785 N LEU A 52 -6.300 3.478 2.252 1.00 0.00 N ATOM 786 CA LEU A 52 -7.280 3.704 1.201 1.00 0.00 C ATOM 787 C LEU A 52 -7.881 2.374 0.745 1.00 0.00 C ATOM 788 O LEU A 52 -7.155 1.462 0.351 1.00 0.00 O ATOM 789 CB LEU A 52 -6.636 4.429 0.018 1.00 0.00 C ATOM 790 CG LEU A 52 -6.398 5.927 0.227 1.00 0.00 C ATOM 791 CD1 LEU A 52 -5.536 6.169 1.456 1.00 0.00 C ATOM 792 CD2 LEU A 52 -5.749 6.536 -1.002 1.00 0.00 C ATOM 0 H LEU A 52 -5.330 3.493 1.938 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.078 4.331 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.681 3.953 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.270 4.296 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.363 6.408 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.380 7.240 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.037 5.766 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.573 5.675 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.586 7.601 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.793 6.047 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.401 6.397 -1.864 1.00 0.00 H new ATOM 804 N PRO A 53 -9.220 2.240 0.804 1.00 0.00 N ATOM 805 CA PRO A 53 -9.907 1.008 0.404 1.00 0.00 C ATOM 806 C PRO A 53 -9.396 0.465 -0.931 1.00 0.00 C ATOM 807 O PRO A 53 -8.551 1.084 -1.579 1.00 0.00 O ATOM 808 CB PRO A 53 -11.372 1.433 0.295 1.00 0.00 C ATOM 809 CG PRO A 53 -11.510 2.607 1.204 1.00 0.00 C ATOM 810 CD PRO A 53 -10.162 3.273 1.275 1.00 0.00 C ATOM 0 HA PRO A 53 -9.742 0.199 1.116 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.630 1.697 -0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.039 0.624 0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.262 3.300 0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.836 2.291 2.195 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.124 4.162 0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.928 3.591 2.291 1.00 0.00 H new ATOM 818 N PRO A 54 -9.894 -0.709 -1.364 1.00 0.00 N ATOM 819 CA PRO A 54 -9.466 -1.330 -2.621 1.00 0.00 C ATOM 820 C PRO A 54 -9.610 -0.400 -3.825 1.00 0.00 C ATOM 821 O PRO A 54 -8.622 -0.031 -4.457 1.00 0.00 O ATOM 822 CB PRO A 54 -10.396 -2.545 -2.768 1.00 0.00 C ATOM 823 CG PRO A 54 -11.499 -2.325 -1.787 1.00 0.00 C ATOM 824 CD PRO A 54 -10.898 -1.529 -0.668 1.00 0.00 C ATOM 0 HA PRO A 54 -8.407 -1.588 -2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.784 -2.621 -3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.865 -3.473 -2.559 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.329 -1.789 -2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.894 -3.274 -1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.643 -0.915 -0.161 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.445 -2.170 0.088 1.00 0.00 H new ATOM 832 N GLN A 55 -10.847 -0.030 -4.136 1.00 0.00 N ATOM 833 CA GLN A 55 -11.121 0.854 -5.266 1.00 0.00 C ATOM 834 C GLN A 55 -10.783 2.307 -4.936 1.00 0.00 C ATOM 835 O GLN A 55 -10.367 3.071 -5.808 1.00 0.00 O ATOM 836 CB GLN A 55 -12.586 0.741 -5.693 1.00 0.00 C ATOM 837 CG GLN A 55 -13.571 1.145 -4.609 1.00 0.00 C ATOM 838 CD GLN A 55 -14.961 1.418 -5.152 1.00 0.00 C ATOM 839 OE1 GLN A 55 -15.907 0.686 -4.862 1.00 0.00 O ATOM 840 NE2 GLN A 55 -15.091 2.476 -5.944 1.00 0.00 N ATOM 0 H GLN A 55 -11.677 -0.328 -3.623 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.483 0.538 -6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.749 1.366 -6.571 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.790 -0.287 -5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.627 0.354 -3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.202 2.037 -4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.279 3.056 -6.158 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.002 2.709 -6.338 1.00 0.00 H new ATOM 849 N GLU A 56 -10.974 2.685 -3.675 1.00 0.00 N ATOM 850 CA GLU A 56 -10.701 4.049 -3.231 1.00 0.00 C ATOM 851 C GLU A 56 -9.214 4.379 -3.314 1.00 0.00 C ATOM 852 O GLU A 56 -8.835 5.548 -3.399 1.00 0.00 O ATOM 853 CB GLU A 56 -11.195 4.247 -1.797 1.00 0.00 C ATOM 854 CG GLU A 56 -12.314 5.266 -1.666 1.00 0.00 C ATOM 855 CD GLU A 56 -12.545 5.692 -0.228 1.00 0.00 C ATOM 856 OE1 GLU A 56 -11.582 6.161 0.413 1.00 0.00 O ATOM 857 OE2 GLU A 56 -13.687 5.552 0.256 1.00 0.00 O ATOM 0 H GLU A 56 -11.317 2.065 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.236 4.726 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.541 3.290 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.357 4.560 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.075 6.143 -2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.235 4.844 -2.069 1.00 0.00 H new ATOM 864 N VAL A 57 -8.373 3.353 -3.286 1.00 0.00 N ATOM 865 CA VAL A 57 -6.937 3.565 -3.356 1.00 0.00 C ATOM 866 C VAL A 57 -6.484 3.758 -4.801 1.00 0.00 C ATOM 867 O VAL A 57 -5.507 4.457 -5.059 1.00 0.00 O ATOM 868 CB VAL A 57 -6.152 2.403 -2.702 1.00 0.00 C ATOM 869 CG1 VAL A 57 -6.274 1.119 -3.512 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.691 2.789 -2.515 1.00 0.00 C ATOM 0 H VAL A 57 -8.658 2.376 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.720 4.474 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.590 2.213 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.710 0.325 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.323 0.830 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.877 1.282 -4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.152 1.961 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.248 3.015 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.626 3.667 -1.872 1.00 0.00 H new ATOM 880 N PHE A 58 -7.205 3.131 -5.738 1.00 0.00 N ATOM 881 CA PHE A 58 -6.882 3.226 -7.166 1.00 0.00 C ATOM 882 C PHE A 58 -6.498 4.652 -7.567 1.00 0.00 C ATOM 883 O PHE A 58 -5.427 4.873 -8.126 1.00 0.00 O ATOM 884 CB PHE A 58 -8.055 2.758 -8.036 1.00 0.00 C ATOM 885 CG PHE A 58 -8.307 1.277 -8.023 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.745 0.458 -7.058 1.00 0.00 C ATOM 887 CD2 PHE A 58 -9.119 0.708 -8.989 1.00 0.00 C ATOM 888 CE1 PHE A 58 -7.992 -0.903 -7.059 1.00 0.00 C ATOM 889 CE2 PHE A 58 -9.369 -0.646 -8.997 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.807 -1.453 -8.033 1.00 0.00 C ATOM 0 H PHE A 58 -8.018 2.551 -5.532 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.027 2.571 -7.334 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.959 3.268 -7.704 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.872 3.071 -9.064 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.108 0.886 -6.298 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.563 1.335 -9.748 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.550 -1.534 -6.302 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -10.005 -1.074 -9.758 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.002 -2.515 -8.037 1.00 0.00 H new ATOM 900 N PRO A 59 -7.369 5.644 -7.295 1.00 0.00 N ATOM 901 CA PRO A 59 -7.094 7.043 -7.646 1.00 0.00 C ATOM 902 C PRO A 59 -5.736 7.516 -7.139 1.00 0.00 C ATOM 903 O PRO A 59 -4.931 8.056 -7.897 1.00 0.00 O ATOM 904 CB PRO A 59 -8.215 7.815 -6.946 1.00 0.00 C ATOM 905 CG PRO A 59 -9.327 6.836 -6.817 1.00 0.00 C ATOM 906 CD PRO A 59 -8.681 5.489 -6.637 1.00 0.00 C ATOM 0 HA PRO A 59 -7.063 7.188 -8.726 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.894 8.180 -5.970 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.519 8.685 -7.528 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.963 7.079 -5.966 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.961 6.848 -7.703 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.573 5.233 -5.583 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.270 4.697 -7.099 1.00 0.00 H new ATOM 914 N LEU A 60 -5.495 7.316 -5.850 1.00 0.00 N ATOM 915 CA LEU A 60 -4.243 7.731 -5.225 1.00 0.00 C ATOM 916 C LEU A 60 -3.045 7.005 -5.829 1.00 0.00 C ATOM 917 O LEU A 60 -2.059 7.631 -6.213 1.00 0.00 O ATOM 918 CB LEU A 60 -4.303 7.470 -3.717 1.00 0.00 C ATOM 919 CG LEU A 60 -2.945 7.478 -3.001 1.00 0.00 C ATOM 920 CD1 LEU A 60 -2.888 8.583 -1.965 1.00 0.00 C ATOM 921 CD2 LEU A 60 -2.665 6.126 -2.364 1.00 0.00 C ATOM 0 H LEU A 60 -6.153 6.867 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.115 8.798 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.943 8.224 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.779 6.504 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.171 7.671 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.917 8.569 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.033 9.547 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.674 8.429 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.698 6.154 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.445 5.898 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.651 5.356 -3.135 1.00 0.00 H new ATOM 933 N LEU A 61 -3.125 5.684 -5.889 1.00 0.00 N ATOM 934 CA LEU A 61 -2.032 4.879 -6.422 1.00 0.00 C ATOM 935 C LEU A 61 -1.782 5.154 -7.906 1.00 0.00 C ATOM 936 O LEU A 61 -0.756 4.746 -8.448 1.00 0.00 O ATOM 937 CB LEU A 61 -2.319 3.393 -6.218 1.00 0.00 C ATOM 938 CG LEU A 61 -3.703 2.938 -6.670 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.677 2.487 -8.122 1.00 0.00 C ATOM 940 CD2 LEU A 61 -4.215 1.828 -5.765 1.00 0.00 C ATOM 0 H LEU A 61 -3.933 5.146 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.132 5.160 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.568 2.816 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.203 3.157 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.386 3.784 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.675 2.167 -8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.356 3.315 -8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.981 1.655 -8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.204 1.513 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.531 0.980 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.278 2.194 -4.740 1.00 0.00 H new ATOM 952 N GLU A 62 -2.713 5.843 -8.565 1.00 0.00 N ATOM 953 CA GLU A 62 -2.562 6.149 -9.985 1.00 0.00 C ATOM 954 C GLU A 62 -2.165 7.609 -10.190 1.00 0.00 C ATOM 955 O GLU A 62 -1.744 8.000 -11.279 1.00 0.00 O ATOM 956 CB GLU A 62 -3.860 5.845 -10.745 1.00 0.00 C ATOM 957 CG GLU A 62 -5.008 6.791 -10.418 1.00 0.00 C ATOM 958 CD GLU A 62 -6.073 6.806 -11.499 1.00 0.00 C ATOM 959 OE1 GLU A 62 -6.314 5.744 -12.110 1.00 0.00 O ATOM 960 OE2 GLU A 62 -6.667 7.881 -11.732 1.00 0.00 O ATOM 0 H GLU A 62 -3.571 6.196 -8.142 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.767 5.516 -10.380 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.660 5.889 -11.816 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.169 4.824 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.460 6.495 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.617 7.799 -10.284 1.00 0.00 H new ATOM 967 N SER A 63 -2.295 8.410 -9.137 1.00 0.00 N ATOM 968 CA SER A 63 -1.945 9.823 -9.203 1.00 0.00 C ATOM 969 C SER A 63 -0.631 10.087 -8.470 1.00 0.00 C ATOM 970 O SER A 63 -0.515 9.830 -7.272 1.00 0.00 O ATOM 971 CB SER A 63 -3.067 10.670 -8.604 1.00 0.00 C ATOM 972 OG SER A 63 -4.156 10.779 -9.505 1.00 0.00 O ATOM 0 H SER A 63 -2.641 8.104 -8.228 1.00 0.00 H new ATOM 0 HA SER A 63 -1.815 10.100 -10.249 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.406 10.223 -7.670 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.689 11.663 -8.363 1.00 0.00 H new ATOM 0 HG SER A 63 -4.863 11.324 -9.100 1.00 0.00 H new ATOM 978 N ASP A 64 0.358 10.593 -9.203 1.00 0.00 N ATOM 979 CA ASP A 64 1.668 10.884 -8.629 1.00 0.00 C ATOM 980 C ASP A 64 1.564 11.907 -7.502 1.00 0.00 C ATOM 981 O ASP A 64 2.085 11.691 -6.408 1.00 0.00 O ATOM 982 CB ASP A 64 2.618 11.397 -9.714 1.00 0.00 C ATOM 983 CG ASP A 64 3.551 10.314 -10.220 1.00 0.00 C ATOM 984 OD1 ASP A 64 4.435 9.885 -9.449 1.00 0.00 O ATOM 985 OD2 ASP A 64 3.395 9.891 -11.385 1.00 0.00 O ATOM 0 H ASP A 64 0.276 10.810 -10.196 1.00 0.00 H new ATOM 0 HA ASP A 64 2.064 9.958 -8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.036 11.791 -10.547 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.206 12.224 -9.317 1.00 0.00 H new ATOM 990 N GLU A 65 0.889 13.020 -7.774 1.00 0.00 N ATOM 991 CA GLU A 65 0.722 14.071 -6.777 1.00 0.00 C ATOM 992 C GLU A 65 0.098 13.512 -5.503 1.00 0.00 C ATOM 993 O GLU A 65 0.588 13.755 -4.400 1.00 0.00 O ATOM 994 CB GLU A 65 -0.140 15.211 -7.327 1.00 0.00 C ATOM 995 CG GLU A 65 -1.401 14.742 -8.038 1.00 0.00 C ATOM 996 CD GLU A 65 -2.668 15.163 -7.320 1.00 0.00 C ATOM 997 OE1 GLU A 65 -2.579 15.571 -6.142 1.00 0.00 O ATOM 998 OE2 GLU A 65 -3.753 15.087 -7.935 1.00 0.00 O ATOM 0 H GLU A 65 0.450 13.217 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 65 1.710 14.466 -6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.421 15.870 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.457 15.803 -8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.412 15.143 -9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.381 13.656 -8.125 1.00 0.00 H new ATOM 1005 N LEU A 66 -0.985 12.760 -5.664 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.679 12.162 -4.530 1.00 0.00 C ATOM 1007 C LEU A 66 -0.751 11.224 -3.764 1.00 0.00 C ATOM 1008 O LEU A 66 -0.877 11.069 -2.549 1.00 0.00 O ATOM 1009 CB LEU A 66 -2.921 11.406 -5.012 1.00 0.00 C ATOM 1010 CG LEU A 66 -4.236 11.859 -4.377 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -4.248 11.521 -2.895 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.453 13.350 -4.596 1.00 0.00 C ATOM 0 H LEU A 66 -1.402 12.550 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.991 12.959 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.999 11.517 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.783 10.344 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.057 11.326 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.190 11.849 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.143 10.444 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.420 12.028 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.394 13.652 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.633 13.907 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.488 13.559 -5.665 1.00 0.00 H new ATOM 1024 N PHE A 67 0.182 10.603 -4.480 1.00 0.00 N ATOM 1025 CA PHE A 67 1.131 9.683 -3.858 1.00 0.00 C ATOM 1026 C PHE A 67 2.163 10.436 -3.030 1.00 0.00 C ATOM 1027 O PHE A 67 2.357 10.143 -1.855 1.00 0.00 O ATOM 1028 CB PHE A 67 1.840 8.828 -4.913 1.00 0.00 C ATOM 1029 CG PHE A 67 2.228 7.470 -4.402 1.00 0.00 C ATOM 1030 CD1 PHE A 67 1.258 6.510 -4.182 1.00 0.00 C ATOM 1031 CD2 PHE A 67 3.552 7.154 -4.124 1.00 0.00 C ATOM 1032 CE1 PHE A 67 1.596 5.264 -3.700 1.00 0.00 C ATOM 1033 CE2 PHE A 67 3.892 5.905 -3.637 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.907 4.961 -3.425 1.00 0.00 C ATOM 0 H PHE A 67 0.302 10.719 -5.486 1.00 0.00 H new ATOM 0 HA PHE A 67 0.563 9.028 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.187 8.712 -5.778 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.733 9.350 -5.256 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.223 6.739 -4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.324 7.891 -4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.827 4.523 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.924 5.669 -3.423 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.167 3.985 -3.043 1.00 0.00 H new ATOM 1044 N GLU A 68 2.820 11.408 -3.651 1.00 0.00 N ATOM 1045 CA GLU A 68 3.841 12.205 -2.977 1.00 0.00 C ATOM 1046 C GLU A 68 3.415 12.600 -1.564 1.00 0.00 C ATOM 1047 O GLU A 68 4.162 12.402 -0.612 1.00 0.00 O ATOM 1048 CB GLU A 68 4.148 13.457 -3.797 1.00 0.00 C ATOM 1049 CG GLU A 68 5.162 13.218 -4.906 1.00 0.00 C ATOM 1050 CD GLU A 68 6.336 14.177 -4.850 1.00 0.00 C ATOM 1051 OE1 GLU A 68 6.848 14.427 -3.740 1.00 0.00 O ATOM 1052 OE2 GLU A 68 6.749 14.672 -5.921 1.00 0.00 O ATOM 0 H GLU A 68 2.664 11.665 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 68 4.738 11.591 -2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.223 13.832 -4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.524 14.235 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.532 12.195 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.666 13.315 -5.872 1.00 0.00 H new ATOM 1059 N GLN A 69 2.215 13.155 -1.436 1.00 0.00 N ATOM 1060 CA GLN A 69 1.702 13.577 -0.136 1.00 0.00 C ATOM 1061 C GLN A 69 1.648 12.413 0.853 1.00 0.00 C ATOM 1062 O GLN A 69 2.281 12.452 1.909 1.00 0.00 O ATOM 1063 CB GLN A 69 0.310 14.189 -0.291 1.00 0.00 C ATOM 1064 CG GLN A 69 -0.059 15.140 0.833 1.00 0.00 C ATOM 1065 CD GLN A 69 -1.389 14.800 1.473 1.00 0.00 C ATOM 1066 OE1 GLN A 69 -1.590 13.688 1.962 1.00 0.00 O ATOM 1067 NE2 GLN A 69 -2.308 15.757 1.469 1.00 0.00 N ATOM 0 H GLN A 69 1.579 13.323 -2.215 1.00 0.00 H new ATOM 0 HA GLN A 69 2.387 14.326 0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.260 14.723 -1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.428 13.388 -0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.722 15.118 1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.097 16.158 0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.098 16.664 1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.225 15.586 1.882 1.00 0.00 H new ATOM 1076 N HIS A 70 0.879 11.386 0.508 1.00 0.00 N ATOM 1077 CA HIS A 70 0.731 10.220 1.376 1.00 0.00 C ATOM 1078 C HIS A 70 2.072 9.517 1.554 1.00 0.00 C ATOM 1079 O HIS A 70 2.518 9.276 2.675 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.295 9.248 0.791 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.603 9.246 1.518 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -1.769 8.676 2.762 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -2.813 9.743 1.168 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.023 8.819 3.147 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -3.679 9.463 2.199 1.00 0.00 N ATOM 0 H HIS A 70 0.350 11.336 -0.363 1.00 0.00 H new ATOM 0 HA HIS A 70 0.379 10.558 2.351 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.470 9.504 -0.254 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.121 8.241 0.807 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.053 10.262 0.252 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.442 8.469 4.079 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.668 9.712 2.227 1.00 0.00 H new ATOM 1093 N TYR A 71 2.712 9.203 0.439 1.00 0.00 N ATOM 1094 CA TYR A 71 4.007 8.541 0.451 1.00 0.00 C ATOM 1095 C TYR A 71 5.072 9.429 1.113 1.00 0.00 C ATOM 1096 O TYR A 71 6.159 8.957 1.442 1.00 0.00 O ATOM 1097 CB TYR A 71 4.397 8.175 -0.991 1.00 0.00 C ATOM 1098 CG TYR A 71 5.882 8.090 -1.257 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.683 7.189 -0.574 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.480 8.911 -2.206 1.00 0.00 C ATOM 1101 CE1 TYR A 71 8.037 7.106 -0.823 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.833 8.834 -2.463 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.610 7.930 -1.769 1.00 0.00 C ATOM 1104 OH TYR A 71 9.962 7.845 -2.020 1.00 0.00 O ATOM 0 H TYR A 71 2.351 9.398 -0.495 1.00 0.00 H new ATOM 0 HA TYR A 71 3.942 7.628 1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.945 7.215 -1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.966 8.915 -1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.239 6.540 0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.875 9.621 -2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.646 6.399 -0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.282 9.479 -3.204 1.00 0.00 H new ATOM 0 HH TYR A 71 10.207 8.492 -2.714 1.00 0.00 H new ATOM 1114 N LYS A 72 4.750 10.714 1.313 1.00 0.00 N ATOM 1115 CA LYS A 72 5.683 11.655 1.939 1.00 0.00 C ATOM 1116 C LYS A 72 5.983 11.270 3.387 1.00 0.00 C ATOM 1117 O LYS A 72 7.125 10.977 3.738 1.00 0.00 O ATOM 1118 CB LYS A 72 5.120 13.079 1.914 1.00 0.00 C ATOM 1119 CG LYS A 72 6.165 14.145 2.195 1.00 0.00 C ATOM 1120 CD LYS A 72 6.330 14.391 3.688 1.00 0.00 C ATOM 1121 CE LYS A 72 7.798 14.494 4.076 1.00 0.00 C ATOM 1122 NZ LYS A 72 8.019 15.473 5.177 1.00 0.00 N ATOM 0 H LYS A 72 3.853 11.123 1.051 1.00 0.00 H new ATOM 0 HA LYS A 72 6.607 11.614 1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.672 13.268 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.322 13.159 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.120 13.839 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.879 15.074 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.814 15.310 3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.861 13.580 4.246 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.161 13.514 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.383 14.790 3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.032 15.511 5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.697 16.414 4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.482 15.178 6.017 1.00 0.00 H new ATOM 1136 N GLU A 73 4.948 11.297 4.226 1.00 0.00 N ATOM 1137 CA GLU A 73 5.100 10.973 5.644 1.00 0.00 C ATOM 1138 C GLU A 73 5.807 9.635 5.820 1.00 0.00 C ATOM 1139 O GLU A 73 6.657 9.482 6.697 1.00 0.00 O ATOM 1140 CB GLU A 73 3.732 10.940 6.333 1.00 0.00 C ATOM 1141 CG GLU A 73 3.624 11.883 7.522 1.00 0.00 C ATOM 1142 CD GLU A 73 2.291 12.604 7.574 1.00 0.00 C ATOM 1143 OE1 GLU A 73 2.091 13.541 6.772 1.00 0.00 O ATOM 1144 OE2 GLU A 73 1.447 12.232 8.415 1.00 0.00 O ATOM 0 H GLU A 73 3.997 11.539 3.949 1.00 0.00 H new ATOM 0 HA GLU A 73 5.710 11.749 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.962 11.197 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.528 9.923 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.763 11.318 8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.428 12.617 7.473 1.00 0.00 H new ATOM 1151 N ALA A 74 5.464 8.677 4.971 1.00 0.00 N ATOM 1152 CA ALA A 74 6.088 7.367 5.034 1.00 0.00 C ATOM 1153 C ALA A 74 7.496 7.425 4.465 1.00 0.00 C ATOM 1154 O ALA A 74 8.370 6.660 4.874 1.00 0.00 O ATOM 1155 CB ALA A 74 5.260 6.330 4.300 1.00 0.00 C ATOM 0 H ALA A 74 4.763 8.782 4.237 1.00 0.00 H new ATOM 0 HA ALA A 74 6.145 7.069 6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.752 5.360 4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.271 6.266 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.161 6.618 3.253 1.00 0.00 H new ATOM 1161 N SER A 75 7.719 8.344 3.523 1.00 0.00 N ATOM 1162 CA SER A 75 9.036 8.493 2.920 1.00 0.00 C ATOM 1163 C SER A 75 10.071 8.739 4.009 1.00 0.00 C ATOM 1164 O SER A 75 11.047 8.003 4.133 1.00 0.00 O ATOM 1165 CB SER A 75 9.055 9.647 1.915 1.00 0.00 C ATOM 1166 OG SER A 75 10.045 9.445 0.923 1.00 0.00 O ATOM 0 H SER A 75 7.011 8.987 3.168 1.00 0.00 H new ATOM 0 HA SER A 75 9.276 7.574 2.386 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.077 9.738 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.246 10.585 2.437 1.00 0.00 H new ATOM 0 HG SER A 75 9.654 8.965 0.163 1.00 0.00 H new ATOM 1172 N ALA A 76 9.844 9.780 4.806 1.00 0.00 N ATOM 1173 CA ALA A 76 10.752 10.109 5.898 1.00 0.00 C ATOM 1174 C ALA A 76 11.041 8.860 6.728 1.00 0.00 C ATOM 1175 O ALA A 76 12.157 8.656 7.205 1.00 0.00 O ATOM 1176 CB ALA A 76 10.164 11.209 6.768 1.00 0.00 C ATOM 0 H ALA A 76 9.044 10.406 4.716 1.00 0.00 H new ATOM 0 HA ALA A 76 11.689 10.475 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.856 11.441 7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.999 12.101 6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.215 10.874 7.186 1.00 0.00 H new ATOM 1182 N ALA A 77 10.021 8.015 6.866 1.00 0.00 N ATOM 1183 CA ALA A 77 10.150 6.764 7.606 1.00 0.00 C ATOM 1184 C ALA A 77 10.864 5.714 6.760 1.00 0.00 C ATOM 1185 O ALA A 77 11.445 4.764 7.285 1.00 0.00 O ATOM 1186 CB ALA A 77 8.784 6.256 8.027 1.00 0.00 C ATOM 0 H ALA A 77 9.094 8.176 6.473 1.00 0.00 H new ATOM 0 HA ALA A 77 10.744 6.953 8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.897 5.322 8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.301 6.997 8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.171 6.083 7.142 1.00 0.00 H new ATOM 1192 N TYR A 78 10.832 5.913 5.446 1.00 0.00 N ATOM 1193 CA TYR A 78 11.490 5.012 4.509 1.00 0.00 C ATOM 1194 C TYR A 78 12.952 4.845 4.902 1.00 0.00 C ATOM 1195 O TYR A 78 13.433 3.730 5.096 1.00 0.00 O ATOM 1196 CB TYR A 78 11.390 5.575 3.080 1.00 0.00 C ATOM 1197 CG TYR A 78 11.648 4.568 1.973 1.00 0.00 C ATOM 1198 CD1 TYR A 78 12.541 3.516 2.138 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.988 4.675 0.754 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.766 2.604 1.126 1.00 0.00 C ATOM 1201 CE2 TYR A 78 11.205 3.765 -0.265 1.00 0.00 C ATOM 1202 CZ TYR A 78 12.095 2.733 -0.074 1.00 0.00 C ATOM 1203 OH TYR A 78 12.315 1.822 -1.087 1.00 0.00 O ATOM 0 H TYR A 78 10.353 6.698 5.004 1.00 0.00 H new ATOM 0 HA TYR A 78 10.997 4.040 4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.395 5.998 2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 78 12.101 6.394 2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 78 13.068 3.410 3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.291 5.486 0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.464 1.793 1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.680 3.864 -1.204 1.00 0.00 H new ATOM 0 HH TYR A 78 11.764 2.056 -1.863 1.00 0.00 H new ATOM 1213 N GLU A 79 13.649 5.969 5.020 1.00 0.00 N ATOM 1214 CA GLU A 79 15.063 5.970 5.385 1.00 0.00 C ATOM 1215 C GLU A 79 15.287 5.403 6.783 1.00 0.00 C ATOM 1216 O GLU A 79 16.137 4.535 6.979 1.00 0.00 O ATOM 1217 CB GLU A 79 15.626 7.389 5.302 1.00 0.00 C ATOM 1218 CG GLU A 79 16.315 7.688 3.982 1.00 0.00 C ATOM 1219 CD GLU A 79 17.211 8.908 4.055 1.00 0.00 C ATOM 1220 OE1 GLU A 79 17.991 9.011 5.026 1.00 0.00 O ATOM 1221 OE2 GLU A 79 17.136 9.759 3.145 1.00 0.00 O ATOM 0 H GLU A 79 13.256 6.898 4.867 1.00 0.00 H new ATOM 0 HA GLU A 79 15.587 5.328 4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.816 8.103 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.335 7.539 6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.908 6.824 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.561 7.841 3.210 1.00 0.00 H new ATOM 1228 N SER A 80 14.537 5.903 7.755 1.00 0.00 N ATOM 1229 CA SER A 80 14.681 5.451 9.128 1.00 0.00 C ATOM 1230 C SER A 80 14.470 3.946 9.240 1.00 0.00 C ATOM 1231 O SER A 80 15.288 3.245 9.831 1.00 0.00 O ATOM 1232 CB SER A 80 13.690 6.183 10.036 1.00 0.00 C ATOM 1233 OG SER A 80 14.251 6.429 11.313 1.00 0.00 O ATOM 0 H SER A 80 13.825 6.620 7.617 1.00 0.00 H new ATOM 0 HA SER A 80 15.698 5.679 9.448 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.400 7.127 9.575 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.783 5.588 10.143 1.00 0.00 H new ATOM 0 HG SER A 80 13.598 6.899 11.872 1.00 0.00 H new ATOM 1239 N PHE A 81 13.374 3.451 8.674 1.00 0.00 N ATOM 1240 CA PHE A 81 13.071 2.026 8.730 1.00 0.00 C ATOM 1241 C PHE A 81 14.055 1.210 7.899 1.00 0.00 C ATOM 1242 O PHE A 81 14.469 0.125 8.307 1.00 0.00 O ATOM 1243 CB PHE A 81 11.637 1.759 8.270 1.00 0.00 C ATOM 1244 CG PHE A 81 10.703 1.471 9.408 1.00 0.00 C ATOM 1245 CD1 PHE A 81 10.586 0.189 9.916 1.00 0.00 C ATOM 1246 CD2 PHE A 81 9.949 2.486 9.974 1.00 0.00 C ATOM 1247 CE1 PHE A 81 9.730 -0.078 10.970 1.00 0.00 C ATOM 1248 CE2 PHE A 81 9.094 2.227 11.027 1.00 0.00 C ATOM 1249 CZ PHE A 81 8.984 0.943 11.526 1.00 0.00 C ATOM 0 H PHE A 81 12.684 4.012 8.174 1.00 0.00 H new ATOM 0 HA PHE A 81 13.170 1.712 9.769 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.271 2.624 7.716 1.00 0.00 H new ATOM 0 HB3 PHE A 81 11.633 0.915 7.581 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.169 -0.612 9.485 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.031 3.491 9.587 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.645 -1.083 11.357 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.512 3.027 11.460 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.316 0.738 12.349 1.00 0.00 H new ATOM 1259 N LYS A 82 14.432 1.730 6.736 1.00 0.00 N ATOM 1260 CA LYS A 82 15.373 1.026 5.874 1.00 0.00 C ATOM 1261 C LYS A 82 16.768 1.050 6.474 1.00 0.00 C ATOM 1262 O LYS A 82 17.544 0.109 6.311 1.00 0.00 O ATOM 1263 CB LYS A 82 15.394 1.635 4.480 1.00 0.00 C ATOM 1264 CG LYS A 82 14.412 0.965 3.544 1.00 0.00 C ATOM 1265 CD LYS A 82 14.769 -0.497 3.326 1.00 0.00 C ATOM 1266 CE LYS A 82 13.847 -1.422 4.104 1.00 0.00 C ATOM 1267 NZ LYS A 82 14.585 -2.217 5.125 1.00 0.00 N ATOM 0 H LYS A 82 14.105 2.625 6.372 1.00 0.00 H new ATOM 0 HA LYS A 82 15.043 -0.010 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.161 2.698 4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.399 1.555 4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.405 1.039 3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.404 1.487 2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.708 -0.732 2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.801 -0.669 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.072 -0.833 4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.344 -2.098 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.599 -3.218 4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.561 -1.865 5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.111 -2.124 6.046 1.00 0.00 H new ATOM 1281 N LYS A 83 17.078 2.130 7.179 1.00 0.00 N ATOM 1282 CA LYS A 83 18.376 2.273 7.816 1.00 0.00 C ATOM 1283 C LYS A 83 18.364 1.635 9.204 1.00 0.00 C ATOM 1284 O LYS A 83 19.417 1.342 9.769 1.00 0.00 O ATOM 1285 CB LYS A 83 18.764 3.751 7.910 1.00 0.00 C ATOM 1286 CG LYS A 83 18.988 4.415 6.557 1.00 0.00 C ATOM 1287 CD LYS A 83 20.168 5.372 6.595 1.00 0.00 C ATOM 1288 CE LYS A 83 20.750 5.599 5.209 1.00 0.00 C ATOM 1289 NZ LYS A 83 19.751 6.195 4.277 1.00 0.00 N ATOM 0 H LYS A 83 16.447 2.918 7.323 1.00 0.00 H new ATOM 0 HA LYS A 83 19.119 1.758 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 83 17.981 4.289 8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.674 3.841 8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.162 3.651 5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.089 4.956 6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 83 19.850 6.325 7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 83 20.940 4.973 7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.616 6.257 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 83 21.104 4.651 4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.213 6.428 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 18.985 5.513 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.357 7.061 4.698 1.00 0.00 H new ATOM 1303 N GLU A 84 17.164 1.406 9.741 1.00 0.00 N ATOM 1304 CA GLU A 84 17.021 0.786 11.054 1.00 0.00 C ATOM 1305 C GLU A 84 17.482 -0.664 11.007 1.00 0.00 C ATOM 1306 O GLU A 84 17.936 -1.213 12.011 1.00 0.00 O ATOM 1307 CB GLU A 84 15.570 0.849 11.536 1.00 0.00 C ATOM 1308 CG GLU A 84 15.432 0.708 13.043 1.00 0.00 C ATOM 1309 CD GLU A 84 14.016 0.953 13.524 1.00 0.00 C ATOM 1310 OE1 GLU A 84 13.445 2.007 13.173 1.00 0.00 O ATOM 1311 OE2 GLU A 84 13.479 0.092 14.252 1.00 0.00 O ATOM 0 H GLU A 84 16.282 1.641 9.286 1.00 0.00 H new ATOM 0 HA GLU A 84 17.645 1.340 11.756 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.132 1.797 11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.998 0.059 11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.745 -0.293 13.341 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.105 1.411 13.533 1.00 0.00 H new ATOM 1318 N GLN A 85 17.371 -1.282 9.833 1.00 0.00 N ATOM 1319 CA GLN A 85 17.787 -2.668 9.655 1.00 0.00 C ATOM 1320 C GLN A 85 19.311 -2.774 9.646 1.00 0.00 C ATOM 1321 O GLN A 85 19.896 -3.420 8.775 1.00 0.00 O ATOM 1322 CB GLN A 85 17.206 -3.232 8.353 1.00 0.00 C ATOM 1323 CG GLN A 85 16.216 -4.368 8.569 1.00 0.00 C ATOM 1324 CD GLN A 85 16.776 -5.712 8.149 1.00 0.00 C ATOM 1325 OE1 GLN A 85 17.111 -5.923 6.983 1.00 0.00 O ATOM 1326 NE2 GLN A 85 16.881 -6.632 9.101 1.00 0.00 N ATOM 0 H GLN A 85 16.996 -0.843 8.992 1.00 0.00 H new ATOM 0 HA GLN A 85 17.407 -3.254 10.492 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.711 -2.428 7.808 1.00 0.00 H new ATOM 0 HB3 GLN A 85 18.023 -3.587 7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.937 -4.407 9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 85 15.306 -4.165 8.005 1.00 0.00 H new ATOM 0 HE21 GLN A 85 16.591 -6.415 10.055 1.00 0.00 H new ATOM 0 HE22 GLN A 85 17.251 -7.556 8.879 1.00 0.00 H new ATOM 1335 N GLU A 86 19.948 -2.137 10.626 1.00 0.00 N ATOM 1336 CA GLU A 86 21.397 -2.160 10.736 1.00 0.00 C ATOM 1337 C GLU A 86 21.857 -3.283 11.662 1.00 0.00 C ATOM 1338 O GLU A 86 22.975 -3.260 12.176 1.00 0.00 O ATOM 1339 CB GLU A 86 21.917 -0.809 11.238 1.00 0.00 C ATOM 1340 CG GLU A 86 21.461 -0.459 12.645 1.00 0.00 C ATOM 1341 CD GLU A 86 21.978 0.890 13.106 1.00 0.00 C ATOM 1342 OE1 GLU A 86 23.096 0.940 13.660 1.00 0.00 O ATOM 1343 OE2 GLU A 86 21.265 1.898 12.912 1.00 0.00 O ATOM 0 H GLU A 86 19.479 -1.599 11.354 1.00 0.00 H new ATOM 0 HA GLU A 86 21.809 -2.347 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 86 23.007 -0.817 11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 86 21.587 -0.027 10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.372 -0.458 12.680 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.802 -1.230 13.336 1.00 0.00 H new ATOM 1350 N GLN A 87 20.985 -4.267 11.873 1.00 0.00 N ATOM 1351 CA GLN A 87 21.300 -5.397 12.738 1.00 0.00 C ATOM 1352 C GLN A 87 21.866 -6.562 11.928 1.00 0.00 C ATOM 1353 O GLN A 87 22.874 -7.161 12.306 1.00 0.00 O ATOM 1354 CB GLN A 87 20.049 -5.842 13.502 1.00 0.00 C ATOM 1355 CG GLN A 87 18.913 -6.303 12.602 1.00 0.00 C ATOM 1356 CD GLN A 87 17.556 -6.200 13.274 1.00 0.00 C ATOM 1357 OE1 GLN A 87 17.348 -6.737 14.363 1.00 0.00 O ATOM 1358 NE2 GLN A 87 16.625 -5.508 12.628 1.00 0.00 N ATOM 0 H GLN A 87 20.055 -4.303 11.456 1.00 0.00 H new ATOM 0 HA GLN A 87 22.058 -5.079 13.454 1.00 0.00 H new ATOM 0 HB2 GLN A 87 20.317 -6.654 14.178 1.00 0.00 H new ATOM 0 HB3 GLN A 87 19.698 -5.015 14.120 1.00 0.00 H new ATOM 0 HG2 GLN A 87 18.910 -5.703 11.692 1.00 0.00 H new ATOM 0 HG3 GLN A 87 19.088 -7.336 12.303 1.00 0.00 H new ATOM 0 HE21 GLN A 87 16.841 -5.080 11.728 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.694 -5.405 13.032 1.00 0.00 H new ATOM 1367 N GLN A 88 21.210 -6.879 10.815 1.00 0.00 N ATOM 1368 CA GLN A 88 21.644 -7.974 9.951 1.00 0.00 C ATOM 1369 C GLN A 88 22.475 -7.462 8.777 1.00 0.00 C ATOM 1370 O GLN A 88 22.437 -8.028 7.685 1.00 0.00 O ATOM 1371 CB GLN A 88 20.434 -8.751 9.429 1.00 0.00 C ATOM 1372 CG GLN A 88 20.799 -10.064 8.755 1.00 0.00 C ATOM 1373 CD GLN A 88 20.592 -11.267 9.655 1.00 0.00 C ATOM 1374 OE1 GLN A 88 20.068 -12.296 9.226 1.00 0.00 O ATOM 1375 NE2 GLN A 88 21.005 -11.147 10.912 1.00 0.00 N ATOM 0 H GLN A 88 20.375 -6.393 10.489 1.00 0.00 H new ATOM 0 HA GLN A 88 22.270 -8.638 10.548 1.00 0.00 H new ATOM 0 HB2 GLN A 88 19.757 -8.954 10.259 1.00 0.00 H new ATOM 0 HB3 GLN A 88 19.890 -8.127 8.720 1.00 0.00 H new ATOM 0 HG2 GLN A 88 20.198 -10.183 7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 88 21.842 -10.027 8.440 1.00 0.00 H new ATOM 0 HE21 GLN A 88 21.434 -10.277 11.227 1.00 0.00 H new ATOM 0 HE22 GLN A 88 20.893 -11.925 11.562 1.00 0.00 H new ATOM 1384 N THR A 89 23.228 -6.395 9.011 1.00 0.00 N ATOM 1385 CA THR A 89 24.073 -5.818 7.971 1.00 0.00 C ATOM 1386 C THR A 89 25.544 -6.021 8.306 1.00 0.00 C ATOM 1387 O THR A 89 26.124 -5.270 9.091 1.00 0.00 O ATOM 1388 CB THR A 89 23.776 -4.329 7.804 1.00 0.00 C ATOM 1389 OG1 THR A 89 23.117 -3.821 8.946 1.00 0.00 O ATOM 1390 CG2 THR A 89 22.911 -4.023 6.599 1.00 0.00 C ATOM 0 H THR A 89 23.272 -5.912 9.908 1.00 0.00 H new ATOM 0 HA THR A 89 23.853 -6.326 7.032 1.00 0.00 H new ATOM 0 HB THR A 89 24.747 -3.853 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 89 23.722 -3.225 9.435 1.00 0.00 H new ATOM 0 HG21 THR A 89 22.738 -2.949 6.539 1.00 0.00 H new ATOM 0 HG22 THR A 89 23.416 -4.361 5.694 1.00 0.00 H new ATOM 0 HG23 THR A 89 21.956 -4.539 6.696 1.00 0.00 H new ATOM 1398 N GLU A 90 26.140 -7.041 7.707 1.00 0.00 N ATOM 1399 CA GLU A 90 27.545 -7.350 7.940 1.00 0.00 C ATOM 1400 C GLU A 90 28.445 -6.264 7.359 1.00 0.00 C ATOM 1401 O GLU A 90 28.560 -6.124 6.140 1.00 0.00 O ATOM 1402 CB GLU A 90 27.894 -8.702 7.319 1.00 0.00 C ATOM 1403 CG GLU A 90 27.380 -8.866 5.897 1.00 0.00 C ATOM 1404 CD GLU A 90 28.468 -9.269 4.922 1.00 0.00 C ATOM 1405 OE1 GLU A 90 29.478 -8.542 4.823 1.00 0.00 O ATOM 1406 OE2 GLU A 90 28.308 -10.313 4.254 1.00 0.00 O ATOM 0 H GLU A 90 25.673 -7.671 7.055 1.00 0.00 H new ATOM 0 HA GLU A 90 27.711 -7.395 9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 90 28.977 -8.826 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 90 27.480 -9.496 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 90 26.591 -9.618 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 90 26.932 -7.929 5.567 1.00 0.00 H new ATOM 1413 N GLN A 91 29.086 -5.499 8.237 1.00 0.00 N ATOM 1414 CA GLN A 91 29.979 -4.429 7.808 1.00 0.00 C ATOM 1415 C GLN A 91 31.329 -4.995 7.385 1.00 0.00 C ATOM 1416 O GLN A 91 31.635 -6.158 7.643 1.00 0.00 O ATOM 1417 CB GLN A 91 30.161 -3.406 8.934 1.00 0.00 C ATOM 1418 CG GLN A 91 29.688 -2.007 8.571 1.00 0.00 C ATOM 1419 CD GLN A 91 30.827 -1.088 8.175 1.00 0.00 C ATOM 1420 OE1 GLN A 91 31.228 -1.042 7.012 1.00 0.00 O ATOM 1421 NE2 GLN A 91 31.355 -0.347 9.144 1.00 0.00 N ATOM 0 H GLN A 91 29.004 -5.600 9.249 1.00 0.00 H new ATOM 0 HA GLN A 91 29.531 -3.929 6.949 1.00 0.00 H new ATOM 0 HB2 GLN A 91 29.616 -3.747 9.814 1.00 0.00 H new ATOM 0 HB3 GLN A 91 31.215 -3.364 9.208 1.00 0.00 H new ATOM 0 HG2 GLN A 91 28.976 -2.071 7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 91 29.157 -1.576 9.420 1.00 0.00 H new ATOM 0 HE21 GLN A 91 30.992 -0.417 10.095 1.00 0.00 H new ATOM 0 HE22 GLN A 91 32.123 0.291 8.937 1.00 0.00 H new ATOM 1430 N ALA A 92 32.133 -4.165 6.731 1.00 0.00 N ATOM 1431 CA ALA A 92 33.450 -4.585 6.271 1.00 0.00 C ATOM 1432 C ALA A 92 34.415 -4.740 7.441 1.00 0.00 C ATOM 1433 O ALA A 92 35.631 -4.871 7.190 1.00 0.00 O ATOM 1434 CB ALA A 92 33.995 -3.590 5.257 1.00 0.00 C ATOM 1435 OXT ALA A 92 33.946 -4.727 8.598 1.00 0.00 O ATOM 0 H ALA A 92 31.896 -3.198 6.508 1.00 0.00 H new ATOM 0 HA ALA A 92 33.349 -5.557 5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 92 34.980 -3.915 4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 92 33.320 -3.534 4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 92 34.076 -2.606 5.720 1.00 0.00 H new TER 1441 ALA A 92