USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 934 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 68 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 91 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -166:sc= -2.67 (180deg=-2.37) USER MOD Set 2.2: A 48 GLN : amide:sc= -0.395 K(o=-3.1,f=-4.4) USER MOD Set 3.1: A 20 MET CE :methyl -132:sc= -0.367 (180deg=-2.28) USER MOD Set 3.2: A 29 THR OG1 : rot 59:sc= 0.769 USER MOD Set 3.3: A 31 HIS : no HD1:sc= 0.463 K(o=0.87,f=-5.3!) USER MOD Set 4.1: A 15 GLN : amide:sc= -0.556 K(o=0.11,f=1.4) USER MOD Set 4.2: A 32 TYR OH : rot -155:sc= 0.665 USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= -0.042 (180deg=-0.286) USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= -0.0146 (180deg=-0.208) USER MOD Single : A 12 HIS : no HD1:sc= -0.0137 X(o=-0.014,f=-0.021) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -2.93! K(o=-2.9!,f=-1.7) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.714 K(o=-0.71,f=-1.4!) USER MOD Single : A 33 CYS SG : rot -170:sc= -1.4 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.92 USER MOD Single : A 43 SER OG : rot 163:sc= -1.47 USER MOD Single : A 49 THR OG1 : rot 16:sc= 1.45 USER MOD Single : A 50 MET CE :methyl -160:sc= -0.202 (180deg=-0.833) USER MOD Single : A 54 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.29) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc=0.000576 USER MOD Single : A 67 ASN : amide:sc= -4.36! K(o=-4.4!,f=-0.17) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc=-0.000958 K(o=-0.00096,f=-1) USER MOD Single : A 78 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.461) USER MOD Single : A 79 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.024) USER MOD Single : A 80 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 101 THR OG1 : rot 123:sc= 0.155 USER MOD Single : A 112 GLN : amide:sc= -5.21! C(o=-5.2!,f=-6.2!) USER MOD Single : A 113 SER OG : rot 82:sc= 0.699 USER MOD Single : A 118 THR OG1 : rot -77:sc= 0.4 USER MOD Single : A 120 LYS NZ :NH3+ 143:sc= -1.94! (180deg=-3.98!) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 8 -4.733 26.340 -7.854 1.00 0.00 N ATOM 2 CA LYS A 8 -4.949 25.105 -8.651 1.00 0.00 C ATOM 3 C LYS A 8 -4.231 23.917 -8.018 1.00 0.00 C ATOM 4 O LYS A 8 -3.580 24.054 -6.983 1.00 0.00 O ATOM 5 CB LYS A 8 -4.453 25.307 -10.085 1.00 0.00 C ATOM 6 CG LYS A 8 -5.149 26.443 -10.818 1.00 0.00 C ATOM 7 CD LYS A 8 -6.632 26.165 -11.004 1.00 0.00 C ATOM 8 CE LYS A 8 -7.322 27.293 -11.754 1.00 0.00 C ATOM 9 NZ LYS A 8 -6.741 27.495 -13.111 1.00 0.00 N ATOM 0 HA LYS A 8 -6.018 24.895 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.381 25.502 -10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.598 24.383 -10.644 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.019 27.370 -10.260 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.681 26.589 -11.791 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.762 25.231 -11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.103 26.033 -10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.386 27.072 -11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.236 28.216 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.376 28.096 -13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.813 27.956 -13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.629 26.574 -13.581 1.00 0.00 H new ATOM 23 N LYS A 9 -4.355 22.752 -8.650 1.00 0.00 N ATOM 24 CA LYS A 9 -3.720 21.533 -8.154 1.00 0.00 C ATOM 25 C LYS A 9 -4.188 21.209 -6.738 1.00 0.00 C ATOM 26 O LYS A 9 -5.088 21.859 -6.207 1.00 0.00 O ATOM 27 CB LYS A 9 -2.194 21.672 -8.181 1.00 0.00 C ATOM 28 CG LYS A 9 -1.594 21.620 -9.579 1.00 0.00 C ATOM 29 CD LYS A 9 -1.926 22.866 -10.383 1.00 0.00 C ATOM 30 CE LYS A 9 -1.304 22.818 -11.769 1.00 0.00 C ATOM 31 NZ LYS A 9 -1.793 21.655 -12.558 1.00 0.00 N ATOM 0 H LYS A 9 -4.891 22.626 -9.509 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.013 20.713 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.917 22.616 -7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.756 20.876 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.512 21.512 -9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.967 20.740 -10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.008 22.965 -10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.568 23.748 -9.853 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.534 23.741 -12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.219 22.764 -11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.525 21.775 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.368 20.781 -12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.829 21.595 -12.483 1.00 0.00 H new ATOM 45 N ASP A 10 -3.572 20.198 -6.135 1.00 0.00 N ATOM 46 CA ASP A 10 -3.924 19.786 -4.780 1.00 0.00 C ATOM 47 C ASP A 10 -3.019 20.460 -3.755 1.00 0.00 C ATOM 48 O ASP A 10 -2.125 21.229 -4.111 1.00 0.00 O ATOM 49 CB ASP A 10 -3.825 18.266 -4.645 1.00 0.00 C ATOM 50 CG ASP A 10 -4.752 17.538 -5.599 1.00 0.00 C ATOM 51 OD1 ASP A 10 -4.329 17.256 -6.739 1.00 0.00 O ATOM 52 OD2 ASP A 10 -5.902 17.249 -5.203 1.00 0.00 O ATOM 0 H ASP A 10 -2.827 19.648 -6.563 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.952 20.094 -4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.798 17.954 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.064 17.979 -3.621 1.00 0.00 H new ATOM 57 N GLU A 11 -3.257 20.166 -2.480 1.00 0.00 N ATOM 58 CA GLU A 11 -2.464 20.745 -1.402 1.00 0.00 C ATOM 59 C GLU A 11 -1.210 19.917 -1.144 1.00 0.00 C ATOM 60 O GLU A 11 -0.092 20.372 -1.388 1.00 0.00 O ATOM 61 CB GLU A 11 -3.297 20.842 -0.122 1.00 0.00 C ATOM 62 CG GLU A 11 -4.539 21.706 -0.268 1.00 0.00 C ATOM 63 CD GLU A 11 -4.212 23.138 -0.646 1.00 0.00 C ATOM 64 OE1 GLU A 11 -3.988 23.958 0.270 1.00 0.00 O ATOM 65 OE2 GLU A 11 -4.180 23.440 -1.858 1.00 0.00 O ATOM 0 H GLU A 11 -3.992 19.531 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.160 21.747 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.596 19.839 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.675 21.247 0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.191 21.274 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.094 21.699 0.670 1.00 0.00 H new ATOM 72 N HIS A 12 -1.405 18.700 -0.650 1.00 0.00 N ATOM 73 CA HIS A 12 -0.291 17.804 -0.357 1.00 0.00 C ATOM 74 C HIS A 12 -0.585 16.390 -0.850 1.00 0.00 C ATOM 75 O HIS A 12 -1.743 15.987 -0.953 1.00 0.00 O ATOM 76 CB HIS A 12 -0.006 17.783 1.146 1.00 0.00 C ATOM 77 CG HIS A 12 0.373 19.120 1.703 1.00 0.00 C ATOM 78 ND1 HIS A 12 -0.507 19.925 2.396 1.00 0.00 N ATOM 79 CD2 HIS A 12 1.548 19.793 1.670 1.00 0.00 C ATOM 80 CE1 HIS A 12 0.110 21.034 2.764 1.00 0.00 C ATOM 81 NE2 HIS A 12 1.357 20.978 2.336 1.00 0.00 N ATOM 0 H HIS A 12 -2.325 18.310 -0.444 1.00 0.00 H new ATOM 0 HA HIS A 12 0.589 18.177 -0.881 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.889 17.418 1.670 1.00 0.00 H new ATOM 0 HB3 HIS A 12 0.798 17.075 1.345 1.00 0.00 H new ATOM 0 HD2 HIS A 12 2.464 19.459 1.206 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.331 21.848 3.320 1.00 0.00 H new ATOM 0 HE2 HIS A 12 2.065 21.699 2.477 1.00 0.00 H new ATOM 90 N LYS A 13 0.473 15.644 -1.151 1.00 0.00 N ATOM 91 CA LYS A 13 0.331 14.274 -1.632 1.00 0.00 C ATOM 92 C LYS A 13 1.089 13.302 -0.733 1.00 0.00 C ATOM 93 O LYS A 13 2.166 13.621 -0.229 1.00 0.00 O ATOM 94 CB LYS A 13 0.841 14.161 -3.070 1.00 0.00 C ATOM 95 CG LYS A 13 0.096 15.051 -4.055 1.00 0.00 C ATOM 96 CD LYS A 13 -1.365 14.647 -4.190 1.00 0.00 C ATOM 97 CE LYS A 13 -1.510 13.268 -4.817 1.00 0.00 C ATOM 98 NZ LYS A 13 -2.937 12.872 -4.962 1.00 0.00 N ATOM 0 H LYS A 13 1.438 15.965 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.727 14.014 -1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.900 14.417 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.757 13.124 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.157 16.088 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.579 14.997 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.837 14.652 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.891 15.382 -4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.030 13.262 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.990 12.533 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.993 11.927 -5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.389 12.853 -4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.428 13.559 -5.569 1.00 0.00 H new ATOM 112 N GLN A 14 0.521 12.116 -0.537 1.00 0.00 N ATOM 113 CA GLN A 14 1.143 11.100 0.300 1.00 0.00 C ATOM 114 C GLN A 14 2.336 10.463 -0.402 1.00 0.00 C ATOM 115 O GLN A 14 2.289 10.180 -1.598 1.00 0.00 O ATOM 116 CB GLN A 14 0.126 10.020 0.673 1.00 0.00 C ATOM 117 CG GLN A 14 -0.858 10.450 1.749 1.00 0.00 C ATOM 118 CD GLN A 14 -0.168 10.921 3.014 1.00 0.00 C ATOM 119 OE1 GLN A 14 0.126 12.106 3.171 1.00 0.00 O ATOM 120 NE2 GLN A 14 0.096 9.991 3.924 1.00 0.00 N ATOM 0 H GLN A 14 -0.370 11.836 -0.948 1.00 0.00 H new ATOM 0 HA GLN A 14 1.497 11.589 1.208 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.429 9.733 -0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.660 9.134 1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.487 11.252 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.517 9.615 1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.166 9.020 3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.560 10.247 4.795 1.00 0.00 H new ATOM 129 N GLN A 15 3.407 10.244 0.355 1.00 0.00 N ATOM 130 CA GLN A 15 4.618 9.633 -0.183 1.00 0.00 C ATOM 131 C GLN A 15 5.573 9.256 0.942 1.00 0.00 C ATOM 132 O GLN A 15 5.776 10.021 1.885 1.00 0.00 O ATOM 133 CB GLN A 15 5.311 10.579 -1.163 1.00 0.00 C ATOM 134 CG GLN A 15 6.618 10.035 -1.718 1.00 0.00 C ATOM 135 CD GLN A 15 7.244 10.953 -2.751 1.00 0.00 C ATOM 136 OE1 GLN A 15 8.466 11.009 -2.890 1.00 0.00 O ATOM 137 NE2 GLN A 15 6.408 11.679 -3.486 1.00 0.00 N ATOM 0 H GLN A 15 3.461 10.481 1.346 1.00 0.00 H new ATOM 0 HA GLN A 15 4.331 8.727 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.634 10.789 -1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.506 11.527 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.321 9.884 -0.899 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.438 9.058 -2.167 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.402 11.603 -3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.773 12.312 -4.197 1.00 0.00 H new ATOM 146 N GLY A 16 6.154 8.070 0.831 1.00 0.00 N ATOM 147 CA GLY A 16 7.080 7.597 1.845 1.00 0.00 C ATOM 148 C GLY A 16 7.452 6.140 1.656 1.00 0.00 C ATOM 149 O GLY A 16 7.728 5.701 0.538 1.00 0.00 O ATOM 0 H GLY A 16 6.002 7.424 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.984 8.206 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.634 7.730 2.831 1.00 0.00 H new ATOM 153 N GLU A 17 7.458 5.387 2.752 1.00 0.00 N ATOM 154 CA GLU A 17 7.802 3.971 2.704 1.00 0.00 C ATOM 155 C GLU A 17 6.736 3.125 3.396 1.00 0.00 C ATOM 156 O GLU A 17 6.303 3.439 4.504 1.00 0.00 O ATOM 157 CB GLU A 17 9.163 3.735 3.362 1.00 0.00 C ATOM 158 CG GLU A 17 10.292 4.525 2.721 1.00 0.00 C ATOM 159 CD GLU A 17 11.631 4.272 3.385 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.929 4.943 4.396 1.00 0.00 O ATOM 161 OE2 GLU A 17 12.383 3.404 2.894 1.00 0.00 O ATOM 0 H GLU A 17 7.229 5.734 3.683 1.00 0.00 H new ATOM 0 HA GLU A 17 7.853 3.671 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.098 4.000 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.401 2.672 3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.359 4.264 1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.061 5.589 2.772 1.00 0.00 H new ATOM 168 N LEU A 18 6.320 2.052 2.731 1.00 0.00 N ATOM 169 CA LEU A 18 5.306 1.156 3.279 1.00 0.00 C ATOM 170 C LEU A 18 5.768 -0.296 3.211 1.00 0.00 C ATOM 171 O LEU A 18 6.799 -0.603 2.612 1.00 0.00 O ATOM 172 CB LEU A 18 3.984 1.319 2.525 1.00 0.00 C ATOM 173 CG LEU A 18 2.907 2.122 3.258 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.655 2.235 2.403 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.578 1.481 4.599 1.00 0.00 C ATOM 0 H LEU A 18 6.669 1.781 1.812 1.00 0.00 H new ATOM 0 HA LEU A 18 5.153 1.422 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.187 1.803 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.587 0.328 2.303 1.00 0.00 H new ATOM 0 HG LEU A 18 3.293 3.124 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.899 2.809 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.898 2.739 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.270 1.238 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.810 2.067 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.213 0.467 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.475 1.449 5.217 1.00 0.00 H new ATOM 187 N TYR A 19 4.997 -1.187 3.830 1.00 0.00 N ATOM 188 CA TYR A 19 5.325 -2.606 3.842 1.00 0.00 C ATOM 189 C TYR A 19 4.193 -3.429 3.239 1.00 0.00 C ATOM 190 O TYR A 19 3.019 -3.188 3.518 1.00 0.00 O ATOM 191 CB TYR A 19 5.604 -3.073 5.271 1.00 0.00 C ATOM 192 CG TYR A 19 6.735 -2.326 5.942 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.547 -1.043 6.438 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.990 -2.904 6.079 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.578 -0.356 7.051 1.00 0.00 C ATOM 196 CE2 TYR A 19 9.026 -2.224 6.690 1.00 0.00 C ATOM 197 CZ TYR A 19 8.814 -0.951 7.175 1.00 0.00 C ATOM 198 OH TYR A 19 9.843 -0.271 7.786 1.00 0.00 O ATOM 0 H TYR A 19 4.140 -0.949 4.330 1.00 0.00 H new ATOM 0 HA TYR A 19 6.220 -2.753 3.237 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.698 -2.955 5.866 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.840 -4.137 5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.579 -0.574 6.343 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.159 -3.902 5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.415 0.642 7.431 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.997 -2.687 6.787 1.00 0.00 H new ATOM 0 HH TYR A 19 10.647 -0.831 7.793 1.00 0.00 H new ATOM 208 N MET A 20 4.556 -4.400 2.410 1.00 0.00 N ATOM 209 CA MET A 20 3.576 -5.262 1.763 1.00 0.00 C ATOM 210 C MET A 20 3.989 -6.728 1.869 1.00 0.00 C ATOM 211 O MET A 20 5.168 -7.060 1.754 1.00 0.00 O ATOM 212 CB MET A 20 3.408 -4.863 0.297 1.00 0.00 C ATOM 213 CG MET A 20 2.611 -3.582 0.101 1.00 0.00 C ATOM 214 SD MET A 20 2.727 -2.940 -1.580 1.00 0.00 S ATOM 215 CE MET A 20 4.478 -2.581 -1.686 1.00 0.00 C ATOM 0 H MET A 20 5.525 -4.610 2.170 1.00 0.00 H new ATOM 0 HA MET A 20 2.621 -5.139 2.274 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.393 -4.740 -0.152 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.913 -5.674 -0.237 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.565 -3.769 0.342 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.969 -2.826 0.800 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.620 -1.579 -2.092 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.922 -2.636 -0.692 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.960 -3.309 -2.339 1.00 0.00 H new ATOM 225 N TRP A 21 3.008 -7.597 2.092 1.00 0.00 N ATOM 226 CA TRP A 21 3.260 -9.029 2.223 1.00 0.00 C ATOM 227 C TRP A 21 3.957 -9.590 0.987 1.00 0.00 C ATOM 228 O TRP A 21 3.535 -9.348 -0.143 1.00 0.00 O ATOM 229 CB TRP A 21 1.945 -9.774 2.467 1.00 0.00 C ATOM 230 CG TRP A 21 2.070 -11.265 2.369 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.416 -12.085 1.495 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.901 -12.114 3.171 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.786 -13.391 1.707 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.695 -13.436 2.729 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.797 -11.889 4.220 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.352 -14.521 3.299 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.448 -12.970 4.783 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.223 -14.271 4.322 1.00 0.00 C ATOM 0 H TRP A 21 2.027 -7.334 2.186 1.00 0.00 H new ATOM 0 HA TRP A 21 3.922 -9.175 3.076 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.569 -9.514 3.456 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.204 -9.432 1.744 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.711 -11.755 0.746 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.439 -14.197 1.187 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.977 -10.888 4.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.180 -15.527 2.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.143 -12.807 5.594 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.748 -15.094 4.784 1.00 0.00 H new ATOM 249 N ASP A 22 5.027 -10.344 1.219 1.00 0.00 N ATOM 250 CA ASP A 22 5.788 -10.958 0.137 1.00 0.00 C ATOM 251 C ASP A 22 5.687 -12.478 0.213 1.00 0.00 C ATOM 252 O ASP A 22 6.376 -13.111 1.010 1.00 0.00 O ATOM 253 CB ASP A 22 7.255 -10.527 0.207 1.00 0.00 C ATOM 254 CG ASP A 22 7.439 -9.052 -0.089 1.00 0.00 C ATOM 255 OD1 ASP A 22 7.579 -8.697 -1.279 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.444 -8.250 0.869 1.00 0.00 O ATOM 0 H ASP A 22 5.388 -10.545 2.152 1.00 0.00 H new ATOM 0 HA ASP A 22 5.368 -10.625 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.649 -10.747 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.837 -11.113 -0.504 1.00 0.00 H new ATOM 261 N SER A 23 4.823 -13.056 -0.617 1.00 0.00 N ATOM 262 CA SER A 23 4.630 -14.502 -0.634 1.00 0.00 C ATOM 263 C SER A 23 5.824 -15.215 -1.259 1.00 0.00 C ATOM 264 O SER A 23 5.909 -16.443 -1.229 1.00 0.00 O ATOM 265 CB SER A 23 3.352 -14.861 -1.394 1.00 0.00 C ATOM 266 OG SER A 23 3.344 -14.278 -2.686 1.00 0.00 O ATOM 0 H SER A 23 4.246 -12.545 -1.286 1.00 0.00 H new ATOM 0 HA SER A 23 4.538 -14.835 0.400 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.269 -15.944 -1.480 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.483 -14.519 -0.832 1.00 0.00 H new ATOM 0 HG SER A 23 2.517 -14.524 -3.151 1.00 0.00 H new ATOM 272 N ILE A 24 6.747 -14.444 -1.825 1.00 0.00 N ATOM 273 CA ILE A 24 7.934 -15.014 -2.449 1.00 0.00 C ATOM 274 C ILE A 24 8.850 -15.624 -1.395 1.00 0.00 C ATOM 275 O ILE A 24 9.203 -16.801 -1.468 1.00 0.00 O ATOM 276 CB ILE A 24 8.717 -13.954 -3.249 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.807 -13.296 -4.289 1.00 0.00 C ATOM 278 CG2 ILE A 24 9.930 -14.585 -3.921 1.00 0.00 C ATOM 279 CD1 ILE A 24 8.454 -12.142 -5.023 1.00 0.00 C ATOM 0 H ILE A 24 6.696 -13.426 -1.864 1.00 0.00 H new ATOM 0 HA ILE A 24 7.597 -15.790 -3.136 1.00 0.00 H new ATOM 0 HB ILE A 24 9.067 -13.185 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.497 -14.048 -5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.904 -12.939 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.472 -13.824 -4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.585 -15.012 -3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.601 -15.371 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.748 -11.727 -5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.739 -11.370 -4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.341 -12.496 -5.548 1.00 0.00 H new ATOM 291 N ASP A 25 9.228 -14.811 -0.416 1.00 0.00 N ATOM 292 CA ASP A 25 10.089 -15.261 0.670 1.00 0.00 C ATOM 293 C ASP A 25 9.293 -15.372 1.961 1.00 0.00 C ATOM 294 O ASP A 25 9.829 -15.740 3.007 1.00 0.00 O ATOM 295 CB ASP A 25 11.255 -14.291 0.862 1.00 0.00 C ATOM 296 CG ASP A 25 12.263 -14.363 -0.269 1.00 0.00 C ATOM 297 OD1 ASP A 25 12.101 -13.618 -1.257 1.00 0.00 O ATOM 298 OD2 ASP A 25 13.215 -15.166 -0.164 1.00 0.00 O ATOM 0 H ASP A 25 8.950 -13.832 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 25 10.486 -16.243 0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.869 -13.274 0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.755 -14.512 1.805 1.00 0.00 H new ATOM 303 N GLN A 26 8.005 -15.052 1.875 1.00 0.00 N ATOM 304 CA GLN A 26 7.120 -15.099 3.029 1.00 0.00 C ATOM 305 C GLN A 26 7.669 -14.241 4.159 1.00 0.00 C ATOM 306 O GLN A 26 8.094 -14.750 5.197 1.00 0.00 O ATOM 307 CB GLN A 26 6.910 -16.540 3.487 1.00 0.00 C ATOM 308 CG GLN A 26 5.984 -17.320 2.571 1.00 0.00 C ATOM 309 CD GLN A 26 4.662 -17.665 3.227 1.00 0.00 C ATOM 310 OE1 GLN A 26 4.589 -17.859 4.441 1.00 0.00 O ATOM 311 NE2 GLN A 26 3.608 -17.741 2.423 1.00 0.00 N ATOM 0 H GLN A 26 7.551 -14.756 1.011 1.00 0.00 H new ATOM 0 HA GLN A 26 6.151 -14.694 2.738 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.875 -17.045 3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.499 -16.539 4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.796 -16.736 1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.480 -18.239 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.716 -17.572 1.423 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.690 -17.968 2.806 1.00 0.00 H new ATOM 320 N LYS A 27 7.657 -12.930 3.938 1.00 0.00 N ATOM 321 CA LYS A 27 8.156 -11.978 4.922 1.00 0.00 C ATOM 322 C LYS A 27 7.804 -10.549 4.516 1.00 0.00 C ATOM 323 O LYS A 27 7.231 -10.322 3.450 1.00 0.00 O ATOM 324 CB LYS A 27 9.673 -12.124 5.073 1.00 0.00 C ATOM 325 CG LYS A 27 10.455 -11.755 3.823 1.00 0.00 C ATOM 326 CD LYS A 27 11.933 -12.075 3.982 1.00 0.00 C ATOM 327 CE LYS A 27 12.732 -11.657 2.759 1.00 0.00 C ATOM 328 NZ LYS A 27 12.677 -10.187 2.535 1.00 0.00 N ATOM 0 H LYS A 27 7.305 -12.502 3.082 1.00 0.00 H new ATOM 0 HA LYS A 27 7.681 -12.191 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.008 -11.496 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.904 -13.154 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.053 -12.297 2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.331 -10.692 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.323 -11.566 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.058 -13.145 4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.770 -11.967 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.346 -12.173 1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.025 -9.968 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.695 -9.858 2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.273 -9.706 3.239 1.00 0.00 H new ATOM 342 N TRP A 28 8.147 -9.592 5.372 1.00 0.00 N ATOM 343 CA TRP A 28 7.866 -8.186 5.099 1.00 0.00 C ATOM 344 C TRP A 28 9.127 -7.453 4.657 1.00 0.00 C ATOM 345 O TRP A 28 10.189 -7.602 5.261 1.00 0.00 O ATOM 346 CB TRP A 28 7.274 -7.508 6.336 1.00 0.00 C ATOM 347 CG TRP A 28 5.905 -8.004 6.685 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.595 -9.025 7.536 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.658 -7.501 6.187 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.231 -9.188 7.600 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.635 -8.266 6.779 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.306 -6.479 5.299 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.288 -8.041 6.512 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.967 -6.258 5.036 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.973 -7.036 5.641 1.00 0.00 C ATOM 0 H TRP A 28 8.619 -9.763 6.260 1.00 0.00 H new ATOM 0 HA TRP A 28 7.139 -8.141 4.288 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.939 -7.671 7.184 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.231 -6.432 6.166 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.315 -9.618 8.080 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.742 -9.882 8.166 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.066 -5.874 4.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.518 -8.640 6.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.683 -5.472 4.352 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.936 -6.838 5.415 1.00 0.00 H new ATOM 366 N THR A 29 9.000 -6.659 3.598 1.00 0.00 N ATOM 367 CA THR A 29 10.126 -5.899 3.072 1.00 0.00 C ATOM 368 C THR A 29 9.830 -4.404 3.078 1.00 0.00 C ATOM 369 O THR A 29 8.692 -3.987 3.297 1.00 0.00 O ATOM 370 CB THR A 29 10.479 -6.333 1.637 1.00 0.00 C ATOM 371 OG1 THR A 29 9.327 -6.224 0.796 1.00 0.00 O ATOM 372 CG2 THR A 29 10.992 -7.763 1.614 1.00 0.00 C ATOM 0 H THR A 29 8.127 -6.526 3.088 1.00 0.00 H new ATOM 0 HA THR A 29 10.975 -6.103 3.724 1.00 0.00 H new ATOM 0 HB THR A 29 11.265 -5.675 1.266 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.011 -5.296 0.793 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.234 -8.046 0.590 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.886 -7.839 2.233 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.224 -8.431 2.003 1.00 0.00 H new ATOM 380 N ARG A 30 10.861 -3.601 2.835 1.00 0.00 N ATOM 381 CA ARG A 30 10.716 -2.151 2.815 1.00 0.00 C ATOM 382 C ARG A 30 10.564 -1.636 1.386 1.00 0.00 C ATOM 383 O ARG A 30 11.428 -1.865 0.539 1.00 0.00 O ATOM 384 CB ARG A 30 11.925 -1.494 3.484 1.00 0.00 C ATOM 385 CG ARG A 30 11.844 0.022 3.545 1.00 0.00 C ATOM 386 CD ARG A 30 13.028 0.610 4.294 1.00 0.00 C ATOM 387 NE ARG A 30 13.078 0.154 5.681 1.00 0.00 N ATOM 388 CZ ARG A 30 13.943 0.618 6.580 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.826 1.546 6.238 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.924 0.151 7.821 1.00 0.00 N ATOM 0 H ARG A 30 11.808 -3.932 2.649 1.00 0.00 H new ATOM 0 HA ARG A 30 9.814 -1.891 3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.024 -1.884 4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.827 -1.779 2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.813 0.427 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.917 0.319 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.952 0.332 3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.967 1.698 4.272 1.00 0.00 H new ATOM 0 HE ARG A 30 12.413 -0.560 5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.844 1.906 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.488 1.900 6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.247 -0.564 8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.587 0.507 8.510 1.00 0.00 H new ATOM 404 N HIS A 31 9.461 -0.940 1.127 1.00 0.00 N ATOM 405 CA HIS A 31 9.194 -0.393 -0.199 1.00 0.00 C ATOM 406 C HIS A 31 9.050 1.124 -0.144 1.00 0.00 C ATOM 407 O HIS A 31 8.804 1.696 0.918 1.00 0.00 O ATOM 408 CB HIS A 31 7.914 -0.995 -0.782 1.00 0.00 C ATOM 409 CG HIS A 31 7.837 -2.485 -0.681 1.00 0.00 C ATOM 410 ND1 HIS A 31 8.148 -3.329 -1.727 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.460 -3.285 0.344 1.00 0.00 C ATOM 412 CE1 HIS A 31 7.965 -4.580 -1.350 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.547 -4.581 -0.099 1.00 0.00 N ATOM 0 H HIS A 31 8.738 -0.741 1.818 1.00 0.00 H new ATOM 0 HA HIS A 31 10.040 -0.649 -0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.055 -0.562 -0.268 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.836 -0.708 -1.831 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.149 -2.963 1.327 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.130 -5.455 -1.962 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.324 -5.411 0.450 1.00 0.00 H new ATOM 422 N TYR A 32 9.205 1.769 -1.296 1.00 0.00 N ATOM 423 CA TYR A 32 9.069 3.218 -1.387 1.00 0.00 C ATOM 424 C TYR A 32 7.798 3.569 -2.152 1.00 0.00 C ATOM 425 O TYR A 32 7.788 3.594 -3.383 1.00 0.00 O ATOM 426 CB TYR A 32 10.289 3.831 -2.077 1.00 0.00 C ATOM 427 CG TYR A 32 10.366 5.337 -1.948 1.00 0.00 C ATOM 428 CD1 TYR A 32 11.026 5.927 -0.879 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.779 6.166 -2.896 1.00 0.00 C ATOM 430 CE1 TYR A 32 11.099 7.302 -0.756 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.848 7.542 -2.780 1.00 0.00 C ATOM 432 CZ TYR A 32 10.508 8.104 -1.708 1.00 0.00 C ATOM 433 OH TYR A 32 10.579 9.472 -1.589 1.00 0.00 O ATOM 0 H TYR A 32 9.425 1.310 -2.180 1.00 0.00 H new ATOM 0 HA TYR A 32 9.004 3.628 -0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.193 3.392 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.269 3.566 -3.134 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.490 5.302 -0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.261 5.729 -3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.617 7.745 0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.387 8.173 -3.525 1.00 0.00 H new ATOM 0 HH TYR A 32 9.826 9.881 -2.064 1.00 0.00 H new ATOM 443 N CYS A 33 6.725 3.832 -1.413 1.00 0.00 N ATOM 444 CA CYS A 33 5.440 4.160 -2.018 1.00 0.00 C ATOM 445 C CYS A 33 5.294 5.658 -2.264 1.00 0.00 C ATOM 446 O CYS A 33 6.029 6.468 -1.700 1.00 0.00 O ATOM 447 CB CYS A 33 4.300 3.668 -1.125 1.00 0.00 C ATOM 448 SG CYS A 33 4.178 1.867 -1.011 1.00 0.00 S ATOM 0 H CYS A 33 6.720 3.824 -0.393 1.00 0.00 H new ATOM 0 HA CYS A 33 5.393 3.658 -2.984 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.435 4.077 -0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.358 4.062 -1.506 1.00 0.00 H new ATOM 0 HG CYS A 33 3.070 1.544 -0.412 1.00 0.00 H new ATOM 454 N ALA A 34 4.335 6.010 -3.116 1.00 0.00 N ATOM 455 CA ALA A 34 4.068 7.403 -3.451 1.00 0.00 C ATOM 456 C ALA A 34 2.769 7.525 -4.244 1.00 0.00 C ATOM 457 O ALA A 34 2.659 7.009 -5.356 1.00 0.00 O ATOM 458 CB ALA A 34 5.228 7.994 -4.239 1.00 0.00 C ATOM 0 H ALA A 34 3.726 5.343 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 34 3.959 7.964 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.011 9.035 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.138 7.942 -3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.367 7.429 -5.161 1.00 0.00 H new ATOM 464 N ILE A 35 1.789 8.208 -3.662 1.00 0.00 N ATOM 465 CA ILE A 35 0.495 8.392 -4.310 1.00 0.00 C ATOM 466 C ILE A 35 0.486 9.641 -5.186 1.00 0.00 C ATOM 467 O ILE A 35 0.987 10.694 -4.793 1.00 0.00 O ATOM 468 CB ILE A 35 -0.641 8.490 -3.273 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.703 7.211 -2.433 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.975 8.741 -3.965 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.660 7.296 -1.265 1.00 0.00 C ATOM 0 H ILE A 35 1.866 8.643 -2.743 1.00 0.00 H new ATOM 0 HA ILE A 35 0.328 7.517 -4.938 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.436 9.331 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.999 6.380 -3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.295 6.985 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.766 8.807 -3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.925 9.675 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.190 7.920 -4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.650 6.354 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.354 8.105 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.667 7.491 -1.633 1.00 0.00 H new ATOM 483 N ALA A 36 -0.091 9.510 -6.378 1.00 0.00 N ATOM 484 CA ALA A 36 -0.173 10.619 -7.321 1.00 0.00 C ATOM 485 C ALA A 36 -1.162 10.310 -8.442 1.00 0.00 C ATOM 486 O ALA A 36 -1.150 9.215 -9.005 1.00 0.00 O ATOM 487 CB ALA A 36 1.200 10.923 -7.898 1.00 0.00 C ATOM 0 H ALA A 36 -0.510 8.643 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.532 11.497 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.124 11.753 -8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.882 11.192 -7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.580 10.043 -8.416 1.00 0.00 H new ATOM 493 N ASP A 37 -2.014 11.280 -8.760 1.00 0.00 N ATOM 494 CA ASP A 37 -3.009 11.116 -9.816 1.00 0.00 C ATOM 495 C ASP A 37 -3.926 9.931 -9.527 1.00 0.00 C ATOM 496 O ASP A 37 -4.269 9.165 -10.428 1.00 0.00 O ATOM 497 CB ASP A 37 -2.318 10.928 -11.170 1.00 0.00 C ATOM 498 CG ASP A 37 -1.447 12.110 -11.544 1.00 0.00 C ATOM 499 OD1 ASP A 37 -1.963 13.048 -12.188 1.00 0.00 O ATOM 500 OD2 ASP A 37 -0.248 12.098 -11.193 1.00 0.00 O ATOM 0 H ASP A 37 -2.036 12.190 -8.300 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.619 12.019 -9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.708 10.025 -11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.073 10.778 -11.942 1.00 0.00 H new ATOM 505 N ALA A 38 -4.324 9.791 -8.265 1.00 0.00 N ATOM 506 CA ALA A 38 -5.205 8.703 -7.849 1.00 0.00 C ATOM 507 C ALA A 38 -4.572 7.341 -8.114 1.00 0.00 C ATOM 508 O ALA A 38 -5.269 6.333 -8.224 1.00 0.00 O ATOM 509 CB ALA A 38 -6.549 8.808 -8.556 1.00 0.00 C ATOM 0 H ALA A 38 -4.049 10.420 -7.510 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.363 8.795 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.194 7.990 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.018 9.760 -8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.399 8.750 -9.634 1.00 0.00 H new ATOM 515 N LYS A 39 -3.247 7.317 -8.212 1.00 0.00 N ATOM 516 CA LYS A 39 -2.521 6.076 -8.459 1.00 0.00 C ATOM 517 C LYS A 39 -1.357 5.918 -7.491 1.00 0.00 C ATOM 518 O LYS A 39 -0.608 6.862 -7.244 1.00 0.00 O ATOM 519 CB LYS A 39 -2.008 6.031 -9.899 1.00 0.00 C ATOM 520 CG LYS A 39 -2.903 5.239 -10.837 1.00 0.00 C ATOM 521 CD LYS A 39 -2.272 5.081 -12.207 1.00 0.00 C ATOM 522 CE LYS A 39 -2.463 6.332 -13.041 1.00 0.00 C ATOM 523 NZ LYS A 39 -1.891 6.186 -14.408 1.00 0.00 N ATOM 0 H LYS A 39 -2.654 8.142 -8.124 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.215 5.250 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.913 7.050 -10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.010 5.594 -9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.099 4.255 -10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.865 5.742 -10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.208 4.871 -12.099 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.715 4.227 -12.719 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.527 6.559 -13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.992 7.177 -12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.044 7.064 -14.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.871 5.995 -14.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.358 5.396 -14.897 1.00 0.00 H new ATOM 537 N LEU A 40 -1.206 4.715 -6.949 1.00 0.00 N ATOM 538 CA LEU A 40 -0.129 4.428 -6.010 1.00 0.00 C ATOM 539 C LEU A 40 0.932 3.554 -6.668 1.00 0.00 C ATOM 540 O LEU A 40 0.661 2.417 -7.051 1.00 0.00 O ATOM 541 CB LEU A 40 -0.688 3.730 -4.768 1.00 0.00 C ATOM 542 CG LEU A 40 0.358 3.097 -3.849 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.293 4.157 -3.290 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.317 2.331 -2.721 1.00 0.00 C ATOM 0 H LEU A 40 -1.817 3.922 -7.144 1.00 0.00 H new ATOM 0 HA LEU A 40 0.332 5.369 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.263 4.455 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.383 2.954 -5.089 1.00 0.00 H new ATOM 0 HG LEU A 40 0.950 2.395 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.029 3.686 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.804 4.661 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.717 4.885 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.442 1.887 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.935 3.013 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.943 1.543 -3.140 1.00 0.00 H new ATOM 556 N SER A 41 2.143 4.086 -6.788 1.00 0.00 N ATOM 557 CA SER A 41 3.239 3.351 -7.410 1.00 0.00 C ATOM 558 C SER A 41 4.306 2.987 -6.384 1.00 0.00 C ATOM 559 O SER A 41 4.944 3.863 -5.799 1.00 0.00 O ATOM 560 CB SER A 41 3.859 4.180 -8.536 1.00 0.00 C ATOM 561 OG SER A 41 2.873 4.603 -9.461 1.00 0.00 O ATOM 0 H SER A 41 2.391 5.021 -6.464 1.00 0.00 H new ATOM 0 HA SER A 41 2.834 2.428 -7.825 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.364 5.049 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.616 3.590 -9.052 1.00 0.00 H new ATOM 0 HG SER A 41 3.295 5.132 -10.170 1.00 0.00 H new ATOM 567 N PHE A 42 4.497 1.689 -6.171 1.00 0.00 N ATOM 568 CA PHE A 42 5.493 1.211 -5.219 1.00 0.00 C ATOM 569 C PHE A 42 6.726 0.684 -5.947 1.00 0.00 C ATOM 570 O PHE A 42 6.614 -0.077 -6.908 1.00 0.00 O ATOM 571 CB PHE A 42 4.901 0.121 -4.321 1.00 0.00 C ATOM 572 CG PHE A 42 4.355 -1.061 -5.072 1.00 0.00 C ATOM 573 CD1 PHE A 42 3.061 -1.049 -5.566 1.00 0.00 C ATOM 574 CD2 PHE A 42 5.137 -2.187 -5.278 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.556 -2.136 -6.253 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.637 -3.278 -5.964 1.00 0.00 C ATOM 577 CZ PHE A 42 3.345 -3.253 -6.452 1.00 0.00 C ATOM 0 H PHE A 42 3.976 0.951 -6.644 1.00 0.00 H new ATOM 0 HA PHE A 42 5.794 2.051 -4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.671 -0.224 -3.631 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.104 0.555 -3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.439 -0.179 -5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.148 -2.212 -4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.546 -2.113 -6.634 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.256 -4.149 -6.118 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.952 -4.104 -6.988 1.00 0.00 H new ATOM 587 N SER A 43 7.903 1.098 -5.486 1.00 0.00 N ATOM 588 CA SER A 43 9.155 0.670 -6.098 1.00 0.00 C ATOM 589 C SER A 43 9.665 -0.618 -5.461 1.00 0.00 C ATOM 590 O SER A 43 9.254 -0.985 -4.359 1.00 0.00 O ATOM 591 CB SER A 43 10.213 1.766 -5.967 1.00 0.00 C ATOM 592 OG SER A 43 10.524 2.017 -4.609 1.00 0.00 O ATOM 0 H SER A 43 8.015 1.728 -4.692 1.00 0.00 H new ATOM 0 HA SER A 43 8.963 0.480 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.116 1.469 -6.501 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.852 2.682 -6.435 1.00 0.00 H new ATOM 0 HG SER A 43 11.372 2.505 -4.552 1.00 0.00 H new ATOM 598 N ASP A 44 10.565 -1.300 -6.163 1.00 0.00 N ATOM 599 CA ASP A 44 11.139 -2.546 -5.669 1.00 0.00 C ATOM 600 C ASP A 44 11.942 -2.303 -4.396 1.00 0.00 C ATOM 601 O ASP A 44 12.254 -1.161 -4.061 1.00 0.00 O ATOM 602 CB ASP A 44 12.034 -3.178 -6.737 1.00 0.00 C ATOM 603 CG ASP A 44 13.242 -2.321 -7.060 1.00 0.00 C ATOM 604 OD1 ASP A 44 13.106 -1.389 -7.880 1.00 0.00 O ATOM 605 OD2 ASP A 44 14.324 -2.580 -6.493 1.00 0.00 O ATOM 0 H ASP A 44 10.913 -1.010 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 44 10.322 -3.230 -5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.368 -4.157 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.453 -3.339 -7.645 1.00 0.00 H new ATOM 610 N ASP A 45 12.264 -3.384 -3.689 1.00 0.00 N ATOM 611 CA ASP A 45 13.033 -3.292 -2.452 1.00 0.00 C ATOM 612 C ASP A 45 14.231 -2.361 -2.622 1.00 0.00 C ATOM 613 O ASP A 45 14.864 -2.337 -3.678 1.00 0.00 O ATOM 614 CB ASP A 45 13.509 -4.680 -2.025 1.00 0.00 C ATOM 615 CG ASP A 45 12.388 -5.701 -2.027 1.00 0.00 C ATOM 616 OD1 ASP A 45 11.594 -5.711 -1.063 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.303 -6.488 -2.992 1.00 0.00 O ATOM 0 H ASP A 45 12.004 -4.334 -3.953 1.00 0.00 H new ATOM 0 HA ASP A 45 12.385 -2.880 -1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.301 -5.012 -2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.942 -4.621 -1.026 1.00 0.00 H new ATOM 622 N ILE A 46 14.535 -1.597 -1.577 1.00 0.00 N ATOM 623 CA ILE A 46 15.651 -0.659 -1.618 1.00 0.00 C ATOM 624 C ILE A 46 16.862 -1.190 -0.856 1.00 0.00 C ATOM 625 O ILE A 46 18.002 -0.849 -1.174 1.00 0.00 O ATOM 626 CB ILE A 46 15.252 0.710 -1.032 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.787 0.554 0.418 1.00 0.00 C ATOM 628 CG2 ILE A 46 14.161 1.348 -1.880 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.508 1.869 1.113 1.00 0.00 C ATOM 0 H ILE A 46 14.025 -1.609 -0.694 1.00 0.00 H new ATOM 0 HA ILE A 46 15.918 -0.540 -2.668 1.00 0.00 H new ATOM 0 HB ILE A 46 16.124 1.364 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.883 -0.055 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.549 0.012 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.888 2.314 -1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.526 1.489 -2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.286 0.699 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 46 14.183 1.678 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.415 2.473 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.724 2.404 0.577 1.00 0.00 H new ATOM 641 N GLU A 47 16.611 -2.024 0.147 1.00 0.00 N ATOM 642 CA GLU A 47 17.688 -2.592 0.952 1.00 0.00 C ATOM 643 C GLU A 47 17.677 -4.118 0.898 1.00 0.00 C ATOM 644 O GLU A 47 18.729 -4.755 0.962 1.00 0.00 O ATOM 645 CB GLU A 47 17.573 -2.119 2.402 1.00 0.00 C ATOM 646 CG GLU A 47 16.193 -2.328 3.004 1.00 0.00 C ATOM 647 CD GLU A 47 16.115 -1.887 4.452 1.00 0.00 C ATOM 648 OE1 GLU A 47 15.873 -0.687 4.695 1.00 0.00 O ATOM 649 OE2 GLU A 47 16.299 -2.743 5.343 1.00 0.00 O ATOM 0 H GLU A 47 15.675 -2.321 0.422 1.00 0.00 H new ATOM 0 HA GLU A 47 18.634 -2.245 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.308 -2.649 3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.824 -1.060 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.458 -1.774 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.926 -3.383 2.935 1.00 0.00 H new ATOM 656 N GLN A 48 16.487 -4.697 0.780 1.00 0.00 N ATOM 657 CA GLN A 48 16.350 -6.148 0.720 1.00 0.00 C ATOM 658 C GLN A 48 16.913 -6.695 -0.588 1.00 0.00 C ATOM 659 O GLN A 48 17.846 -7.497 -0.580 1.00 0.00 O ATOM 660 CB GLN A 48 14.880 -6.548 0.864 1.00 0.00 C ATOM 661 CG GLN A 48 14.656 -8.053 0.866 1.00 0.00 C ATOM 662 CD GLN A 48 15.373 -8.748 2.007 1.00 0.00 C ATOM 663 OE1 GLN A 48 15.570 -8.170 3.076 1.00 0.00 O ATOM 664 NE2 GLN A 48 15.767 -9.996 1.784 1.00 0.00 N ATOM 0 H GLN A 48 15.606 -4.186 0.724 1.00 0.00 H new ATOM 0 HA GLN A 48 16.919 -6.576 1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.487 -6.129 1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.310 -6.105 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.588 -8.257 0.935 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.000 -8.469 -0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.582 -10.436 0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.254 -10.515 2.514 1.00 0.00 H new ATOM 673 N THR A 49 16.336 -6.250 -1.703 1.00 0.00 N ATOM 674 CA THR A 49 16.759 -6.681 -3.036 1.00 0.00 C ATOM 675 C THR A 49 16.768 -8.201 -3.167 1.00 0.00 C ATOM 676 O THR A 49 17.588 -8.888 -2.557 1.00 0.00 O ATOM 677 CB THR A 49 18.151 -6.134 -3.404 1.00 0.00 C ATOM 678 OG1 THR A 49 19.147 -6.665 -2.521 1.00 0.00 O ATOM 679 CG2 THR A 49 18.170 -4.614 -3.340 1.00 0.00 C ATOM 0 H THR A 49 15.565 -5.583 -1.709 1.00 0.00 H new ATOM 0 HA THR A 49 16.025 -6.271 -3.729 1.00 0.00 H new ATOM 0 HB THR A 49 18.374 -6.445 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 49 18.783 -7.441 -2.046 1.00 0.00 H new ATOM 0 HG21 THR A 49 19.163 -4.251 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.439 -4.211 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.922 -4.289 -2.330 1.00 0.00 H new ATOM 687 N MET A 50 15.854 -8.720 -3.980 1.00 0.00 N ATOM 688 CA MET A 50 15.748 -10.157 -4.197 1.00 0.00 C ATOM 689 C MET A 50 16.539 -10.581 -5.430 1.00 0.00 C ATOM 690 O MET A 50 16.555 -11.756 -5.796 1.00 0.00 O ATOM 691 CB MET A 50 14.282 -10.563 -4.355 1.00 0.00 C ATOM 692 CG MET A 50 13.423 -10.229 -3.145 1.00 0.00 C ATOM 693 SD MET A 50 11.695 -10.693 -3.368 1.00 0.00 S ATOM 694 CE MET A 50 11.244 -9.670 -4.766 1.00 0.00 C ATOM 0 H MET A 50 15.175 -8.165 -4.500 1.00 0.00 H new ATOM 0 HA MET A 50 16.167 -10.662 -3.327 1.00 0.00 H new ATOM 0 HB2 MET A 50 13.868 -10.065 -5.232 1.00 0.00 H new ATOM 0 HB3 MET A 50 14.229 -11.635 -4.543 1.00 0.00 H new ATOM 0 HG2 MET A 50 13.822 -10.741 -2.269 1.00 0.00 H new ATOM 0 HG3 MET A 50 13.485 -9.159 -2.945 1.00 0.00 H new ATOM 0 HE1 MET A 50 10.160 -9.566 -4.806 1.00 0.00 H new ATOM 0 HE2 MET A 50 11.700 -8.686 -4.659 1.00 0.00 H new ATOM 0 HE3 MET A 50 11.598 -10.135 -5.686 1.00 0.00 H new ATOM 704 N GLU A 51 17.194 -9.615 -6.066 1.00 0.00 N ATOM 705 CA GLU A 51 17.988 -9.886 -7.260 1.00 0.00 C ATOM 706 C GLU A 51 19.367 -10.419 -6.888 1.00 0.00 C ATOM 707 O GLU A 51 20.001 -9.931 -5.953 1.00 0.00 O ATOM 708 CB GLU A 51 18.130 -8.617 -8.101 1.00 0.00 C ATOM 709 CG GLU A 51 16.806 -8.078 -8.616 1.00 0.00 C ATOM 710 CD GLU A 51 16.961 -6.775 -9.375 1.00 0.00 C ATOM 711 OE1 GLU A 51 17.162 -6.826 -10.607 1.00 0.00 O ATOM 712 OE2 GLU A 51 16.882 -5.703 -8.739 1.00 0.00 O ATOM 0 H GLU A 51 17.191 -8.637 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 51 17.470 -10.646 -7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.618 -7.847 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.783 -8.824 -8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.345 -8.820 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.129 -7.926 -7.776 1.00 0.00 H new ATOM 719 N GLU A 52 19.825 -11.426 -7.626 1.00 0.00 N ATOM 720 CA GLU A 52 21.130 -12.025 -7.377 1.00 0.00 C ATOM 721 C GLU A 52 22.244 -11.016 -7.630 1.00 0.00 C ATOM 722 O GLU A 52 22.939 -10.595 -6.704 1.00 0.00 O ATOM 723 CB GLU A 52 21.329 -13.256 -8.263 1.00 0.00 C ATOM 724 CG GLU A 52 22.617 -14.012 -7.979 1.00 0.00 C ATOM 725 CD GLU A 52 22.777 -15.241 -8.851 1.00 0.00 C ATOM 726 OE1 GLU A 52 23.352 -15.116 -9.953 1.00 0.00 O ATOM 727 OE2 GLU A 52 22.328 -16.329 -8.433 1.00 0.00 O ATOM 0 H GLU A 52 19.311 -11.844 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 52 21.169 -12.331 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 52 20.484 -13.931 -8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.323 -12.945 -9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 52 23.466 -13.347 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.635 -14.310 -6.931 1.00 0.00 H new ATOM 734 N ASP A 53 22.405 -10.632 -8.890 1.00 0.00 N ATOM 735 CA ASP A 53 23.430 -9.667 -9.273 1.00 0.00 C ATOM 736 C ASP A 53 22.790 -8.381 -9.785 1.00 0.00 C ATOM 737 O ASP A 53 23.457 -7.545 -10.397 1.00 0.00 O ATOM 738 CB ASP A 53 24.344 -10.260 -10.346 1.00 0.00 C ATOM 739 CG ASP A 53 25.052 -11.515 -9.875 1.00 0.00 C ATOM 740 OD1 ASP A 53 26.136 -11.391 -9.267 1.00 0.00 O ATOM 741 OD2 ASP A 53 24.524 -12.621 -10.115 1.00 0.00 O ATOM 0 H ASP A 53 21.838 -10.974 -9.666 1.00 0.00 H new ATOM 0 HA ASP A 53 24.027 -9.433 -8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 53 23.755 -10.490 -11.234 1.00 0.00 H new ATOM 0 HB3 ASP A 53 25.085 -9.517 -10.639 1.00 0.00 H new ATOM 746 N ASN A 54 21.494 -8.232 -9.527 1.00 0.00 N ATOM 747 CA ASN A 54 20.752 -7.053 -9.961 1.00 0.00 C ATOM 748 C ASN A 54 20.869 -6.866 -11.472 1.00 0.00 C ATOM 749 O ASN A 54 21.503 -5.922 -11.943 1.00 0.00 O ATOM 750 CB ASN A 54 21.256 -5.804 -9.231 1.00 0.00 C ATOM 751 CG ASN A 54 20.396 -4.585 -9.502 1.00 0.00 C ATOM 752 OD1 ASN A 54 19.406 -4.345 -8.811 1.00 0.00 O ATOM 753 ND2 ASN A 54 20.771 -3.805 -10.509 1.00 0.00 N ATOM 0 H ASN A 54 20.934 -8.916 -9.018 1.00 0.00 H new ATOM 0 HA ASN A 54 19.701 -7.202 -9.713 1.00 0.00 H new ATOM 0 HB2 ASN A 54 21.278 -5.998 -8.159 1.00 0.00 H new ATOM 0 HB3 ASN A 54 22.281 -5.597 -9.538 1.00 0.00 H new ATOM 0 HD21 ASN A 54 20.231 -2.970 -10.735 1.00 0.00 H new ATOM 0 HD22 ASN A 54 21.599 -4.041 -11.056 1.00 0.00 H new ATOM 760 N PRO A 55 20.263 -7.778 -12.255 1.00 0.00 N ATOM 761 CA PRO A 55 20.296 -7.715 -13.719 1.00 0.00 C ATOM 762 C PRO A 55 19.471 -6.553 -14.260 1.00 0.00 C ATOM 763 O PRO A 55 19.863 -5.893 -15.223 1.00 0.00 O ATOM 764 CB PRO A 55 19.689 -9.055 -14.162 1.00 0.00 C ATOM 765 CG PRO A 55 19.635 -9.899 -12.931 1.00 0.00 C ATOM 766 CD PRO A 55 19.507 -8.945 -11.782 1.00 0.00 C ATOM 0 HA PRO A 55 21.307 -7.554 -14.094 1.00 0.00 H new ATOM 0 HB2 PRO A 55 18.694 -8.914 -14.584 1.00 0.00 H new ATOM 0 HB3 PRO A 55 20.299 -9.526 -14.933 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.789 -10.585 -12.965 1.00 0.00 H new ATOM 0 HG3 PRO A 55 20.534 -10.507 -12.835 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.466 -8.697 -11.574 1.00 0.00 H new ATOM 0 HD3 PRO A 55 19.927 -9.356 -10.864 1.00 0.00 H new ATOM 774 N LEU A 56 18.325 -6.312 -13.632 1.00 0.00 N ATOM 775 CA LEU A 56 17.437 -5.231 -14.043 1.00 0.00 C ATOM 776 C LEU A 56 16.404 -4.948 -12.957 1.00 0.00 C ATOM 777 O LEU A 56 15.441 -5.697 -12.794 1.00 0.00 O ATOM 778 CB LEU A 56 16.738 -5.590 -15.360 1.00 0.00 C ATOM 779 CG LEU A 56 16.110 -4.412 -16.114 1.00 0.00 C ATOM 780 CD1 LEU A 56 15.870 -4.782 -17.569 1.00 0.00 C ATOM 781 CD2 LEU A 56 14.810 -3.975 -15.454 1.00 0.00 C ATOM 0 H LEU A 56 17.989 -6.852 -12.835 1.00 0.00 H new ATOM 0 HA LEU A 56 18.034 -4.332 -14.197 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.462 -6.074 -16.015 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.958 -6.322 -15.150 1.00 0.00 H new ATOM 0 HG LEU A 56 16.806 -3.574 -16.077 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.424 -3.935 -18.091 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.819 -5.040 -18.040 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.195 -5.637 -17.621 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.384 -3.138 -16.008 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.105 -4.806 -15.454 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.009 -3.667 -14.427 1.00 0.00 H new ATOM 793 N GLY A 57 16.613 -3.865 -12.216 1.00 0.00 N ATOM 794 CA GLY A 57 15.694 -3.505 -11.152 1.00 0.00 C ATOM 795 C GLY A 57 14.999 -2.183 -11.405 1.00 0.00 C ATOM 796 O GLY A 57 15.413 -1.147 -10.885 1.00 0.00 O ATOM 0 H GLY A 57 17.403 -3.230 -12.333 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.945 -4.290 -11.043 1.00 0.00 H new ATOM 0 HA3 GLY A 57 16.239 -3.450 -10.209 1.00 0.00 H new ATOM 800 N SER A 58 13.938 -2.217 -12.206 1.00 0.00 N ATOM 801 CA SER A 58 13.180 -1.011 -12.526 1.00 0.00 C ATOM 802 C SER A 58 12.556 -0.418 -11.268 1.00 0.00 C ATOM 803 O SER A 58 12.141 -1.148 -10.367 1.00 0.00 O ATOM 804 CB SER A 58 12.091 -1.325 -13.552 1.00 0.00 C ATOM 805 OG SER A 58 11.190 -2.300 -13.060 1.00 0.00 O ATOM 0 H SER A 58 13.583 -3.066 -12.646 1.00 0.00 H new ATOM 0 HA SER A 58 13.866 -0.279 -12.951 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.546 -0.414 -13.798 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.549 -1.682 -14.475 1.00 0.00 H new ATOM 0 HG SER A 58 10.503 -2.481 -13.735 1.00 0.00 H new ATOM 811 N LEU A 59 12.493 0.909 -11.212 1.00 0.00 N ATOM 812 CA LEU A 59 11.922 1.597 -10.059 1.00 0.00 C ATOM 813 C LEU A 59 10.469 1.185 -9.846 1.00 0.00 C ATOM 814 O LEU A 59 10.167 0.382 -8.965 1.00 0.00 O ATOM 815 CB LEU A 59 12.021 3.115 -10.244 1.00 0.00 C ATOM 816 CG LEU A 59 11.760 3.948 -8.983 1.00 0.00 C ATOM 817 CD1 LEU A 59 12.423 5.311 -9.099 1.00 0.00 C ATOM 818 CD2 LEU A 59 10.267 4.100 -8.733 1.00 0.00 C ATOM 0 H LEU A 59 12.829 1.528 -11.950 1.00 0.00 H new ATOM 0 HA LEU A 59 12.492 1.312 -9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.016 3.355 -10.618 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.310 3.418 -11.013 1.00 0.00 H new ATOM 0 HG LEU A 59 12.194 3.423 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.228 5.889 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.498 5.183 -9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.019 5.840 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.107 4.694 -7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.804 4.599 -9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.818 3.115 -8.602 1.00 0.00 H new ATOM 830 N CYS A 60 9.574 1.738 -10.660 1.00 0.00 N ATOM 831 CA CYS A 60 8.152 1.430 -10.555 1.00 0.00 C ATOM 832 C CYS A 60 7.905 -0.071 -10.681 1.00 0.00 C ATOM 833 O CYS A 60 7.930 -0.624 -11.780 1.00 0.00 O ATOM 834 CB CYS A 60 7.363 2.181 -11.629 1.00 0.00 C ATOM 835 SG CYS A 60 7.531 3.979 -11.547 1.00 0.00 S ATOM 0 H CYS A 60 9.809 2.401 -11.399 1.00 0.00 H new ATOM 0 HA CYS A 60 7.811 1.753 -9.571 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.692 1.841 -12.611 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.308 1.921 -11.538 1.00 0.00 H new ATOM 0 HG CYS A 60 6.830 4.524 -12.496 1.00 0.00 H new ATOM 841 N ARG A 61 7.670 -0.721 -9.546 1.00 0.00 N ATOM 842 CA ARG A 61 7.417 -2.156 -9.523 1.00 0.00 C ATOM 843 C ARG A 61 5.957 -2.451 -9.855 1.00 0.00 C ATOM 844 O ARG A 61 5.647 -3.435 -10.527 1.00 0.00 O ATOM 845 CB ARG A 61 7.766 -2.732 -8.149 1.00 0.00 C ATOM 846 CG ARG A 61 7.627 -4.243 -8.063 1.00 0.00 C ATOM 847 CD ARG A 61 8.676 -4.949 -8.906 1.00 0.00 C ATOM 848 NE ARG A 61 8.538 -6.402 -8.848 1.00 0.00 N ATOM 849 CZ ARG A 61 9.431 -7.249 -9.350 1.00 0.00 C ATOM 850 NH1 ARG A 61 10.524 -6.791 -9.945 1.00 0.00 N ATOM 851 NH2 ARG A 61 9.232 -8.557 -9.255 1.00 0.00 N ATOM 0 H ARG A 61 7.650 -0.275 -8.629 1.00 0.00 H new ATOM 0 HA ARG A 61 8.047 -2.627 -10.277 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.791 -2.456 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.121 -2.274 -7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.721 -4.559 -7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.632 -4.537 -8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.592 -4.618 -9.941 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.670 -4.665 -8.560 1.00 0.00 H new ATOM 0 HE ARG A 61 7.709 -6.789 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.682 -5.786 -10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.207 -7.444 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.393 -8.913 -8.797 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.918 -9.206 -9.640 1.00 0.00 H new ATOM 865 N GLY A 62 5.066 -1.588 -9.377 1.00 0.00 N ATOM 866 CA GLY A 62 3.647 -1.763 -9.630 1.00 0.00 C ATOM 867 C GLY A 62 2.857 -0.495 -9.374 1.00 0.00 C ATOM 868 O GLY A 62 3.366 0.447 -8.767 1.00 0.00 O ATOM 0 H GLY A 62 5.302 -0.768 -8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.500 -2.078 -10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.263 -2.562 -8.996 1.00 0.00 H new ATOM 872 N ILE A 63 1.611 -0.468 -9.836 1.00 0.00 N ATOM 873 CA ILE A 63 0.753 0.698 -9.654 1.00 0.00 C ATOM 874 C ILE A 63 -0.687 0.292 -9.358 1.00 0.00 C ATOM 875 O ILE A 63 -1.215 -0.646 -9.957 1.00 0.00 O ATOM 876 CB ILE A 63 0.753 1.604 -10.902 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.179 2.030 -11.262 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.125 2.826 -10.665 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.260 2.869 -12.521 1.00 0.00 C ATOM 0 H ILE A 63 1.173 -1.240 -10.339 1.00 0.00 H new ATOM 0 HA ILE A 63 1.162 1.246 -8.805 1.00 0.00 H new ATOM 0 HB ILE A 63 0.346 1.038 -11.740 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.602 2.595 -10.431 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.795 1.139 -11.388 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.117 3.458 -11.553 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.146 2.506 -10.457 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.259 3.390 -9.815 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.299 3.135 -12.715 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.868 2.300 -13.364 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.672 3.777 -12.391 1.00 0.00 H new ATOM 891 N LEU A 64 -1.315 1.005 -8.429 1.00 0.00 N ATOM 892 CA LEU A 64 -2.701 0.742 -8.065 1.00 0.00 C ATOM 893 C LEU A 64 -3.597 1.853 -8.601 1.00 0.00 C ATOM 894 O LEU A 64 -3.569 2.976 -8.099 1.00 0.00 O ATOM 895 CB LEU A 64 -2.862 0.639 -6.542 1.00 0.00 C ATOM 896 CG LEU A 64 -2.230 -0.595 -5.884 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.738 -1.873 -6.536 1.00 0.00 C ATOM 898 CD2 LEU A 64 -0.712 -0.526 -5.951 1.00 0.00 C ATOM 0 H LEU A 64 -0.884 1.772 -7.913 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.994 -0.210 -8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.429 1.531 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.926 0.647 -6.307 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.524 -0.606 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.277 -2.735 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.821 -1.932 -6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.480 -1.868 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.286 -1.411 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.395 -0.483 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.365 0.366 -5.430 1.00 0.00 H new ATOM 910 N ASP A 65 -4.381 1.539 -9.626 1.00 0.00 N ATOM 911 CA ASP A 65 -5.279 2.520 -10.225 1.00 0.00 C ATOM 912 C ASP A 65 -6.210 3.113 -9.170 1.00 0.00 C ATOM 913 O ASP A 65 -6.750 4.205 -9.345 1.00 0.00 O ATOM 914 CB ASP A 65 -6.100 1.877 -11.345 1.00 0.00 C ATOM 915 CG ASP A 65 -6.677 2.903 -12.302 1.00 0.00 C ATOM 916 OD1 ASP A 65 -7.587 3.652 -11.892 1.00 0.00 O ATOM 917 OD2 ASP A 65 -6.214 2.958 -13.460 1.00 0.00 O ATOM 0 H ASP A 65 -4.413 0.616 -10.059 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.674 3.323 -10.646 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.471 1.181 -11.899 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.911 1.295 -10.908 1.00 0.00 H new ATOM 922 N LEU A 66 -6.391 2.377 -8.074 1.00 0.00 N ATOM 923 CA LEU A 66 -7.250 2.814 -6.975 1.00 0.00 C ATOM 924 C LEU A 66 -8.694 2.994 -7.435 1.00 0.00 C ATOM 925 O LEU A 66 -9.526 3.530 -6.703 1.00 0.00 O ATOM 926 CB LEU A 66 -6.720 4.114 -6.366 1.00 0.00 C ATOM 927 CG LEU A 66 -5.364 3.993 -5.664 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.885 5.356 -5.190 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.449 3.022 -4.496 1.00 0.00 C ATOM 0 H LEU A 66 -5.951 1.469 -7.924 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.236 2.036 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.638 4.861 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.452 4.487 -5.649 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.641 3.604 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.920 5.250 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.782 6.023 -6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.609 5.773 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.476 2.950 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.187 3.380 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.746 2.039 -4.861 1.00 0.00 H new ATOM 941 N ASN A 67 -8.985 2.546 -8.652 1.00 0.00 N ATOM 942 CA ASN A 67 -10.332 2.645 -9.202 1.00 0.00 C ATOM 943 C ASN A 67 -10.978 1.266 -9.279 1.00 0.00 C ATOM 944 O ASN A 67 -12.161 1.140 -9.598 1.00 0.00 O ATOM 945 CB ASN A 67 -10.303 3.285 -10.592 1.00 0.00 C ATOM 946 CG ASN A 67 -10.047 4.780 -10.549 1.00 0.00 C ATOM 947 OD1 ASN A 67 -10.536 5.527 -11.397 1.00 0.00 O ATOM 948 ND2 ASN A 67 -9.275 5.227 -9.564 1.00 0.00 N ATOM 0 H ASN A 67 -8.306 2.111 -9.276 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.923 3.277 -8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.528 2.806 -11.191 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.253 3.099 -11.092 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.068 6.223 -9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.890 4.574 -8.882 1.00 0.00 H new ATOM 955 N THR A 68 -10.192 0.233 -8.985 1.00 0.00 N ATOM 956 CA THR A 68 -10.684 -1.139 -9.024 1.00 0.00 C ATOM 957 C THR A 68 -10.146 -1.958 -7.853 1.00 0.00 C ATOM 958 O THR A 68 -9.569 -3.028 -8.047 1.00 0.00 O ATOM 959 CB THR A 68 -10.300 -1.837 -10.342 1.00 0.00 C ATOM 960 OG1 THR A 68 -8.888 -1.732 -10.560 1.00 0.00 O ATOM 961 CG2 THR A 68 -11.048 -1.226 -11.517 1.00 0.00 C ATOM 0 H THR A 68 -9.212 0.322 -8.717 1.00 0.00 H new ATOM 0 HA THR A 68 -11.770 -1.083 -8.952 1.00 0.00 H new ATOM 0 HB THR A 68 -10.577 -2.888 -10.264 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.652 -2.180 -11.399 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.760 -1.736 -12.436 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.121 -1.336 -11.362 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.800 -0.168 -11.596 1.00 0.00 H new ATOM 969 N TYR A 69 -10.336 -1.448 -6.640 1.00 0.00 N ATOM 970 CA TYR A 69 -9.881 -2.140 -5.439 1.00 0.00 C ATOM 971 C TYR A 69 -10.760 -1.790 -4.241 1.00 0.00 C ATOM 972 O TYR A 69 -11.579 -0.874 -4.304 1.00 0.00 O ATOM 973 CB TYR A 69 -8.424 -1.788 -5.120 1.00 0.00 C ATOM 974 CG TYR A 69 -7.410 -2.655 -5.829 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.019 -3.875 -5.290 1.00 0.00 C ATOM 976 CD2 TYR A 69 -6.835 -2.254 -7.029 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.088 -4.672 -5.927 1.00 0.00 C ATOM 978 CE2 TYR A 69 -5.904 -3.047 -7.673 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.534 -4.254 -7.117 1.00 0.00 C ATOM 980 OH TYR A 69 -4.605 -5.045 -7.755 1.00 0.00 O ATOM 0 H TYR A 69 -10.802 -0.558 -6.463 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.953 -3.210 -5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.246 -0.747 -5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.269 -1.871 -4.044 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.451 -4.206 -4.357 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.120 -1.308 -7.465 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.796 -5.618 -5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.468 -2.723 -8.607 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.314 -4.606 -8.582 1.00 0.00 H new ATOM 990 N ASN A 70 -10.575 -2.528 -3.152 1.00 0.00 N ATOM 991 CA ASN A 70 -11.336 -2.306 -1.928 1.00 0.00 C ATOM 992 C ASN A 70 -10.423 -2.404 -0.710 1.00 0.00 C ATOM 993 O ASN A 70 -9.651 -3.352 -0.580 1.00 0.00 O ATOM 994 CB ASN A 70 -12.470 -3.328 -1.815 1.00 0.00 C ATOM 995 CG ASN A 70 -13.491 -3.188 -2.925 1.00 0.00 C ATOM 996 OD1 ASN A 70 -13.750 -2.088 -3.413 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.078 -4.307 -3.332 1.00 0.00 N ATOM 0 H ASN A 70 -9.900 -3.290 -3.092 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.766 -1.305 -1.965 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.051 -4.334 -1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.967 -3.210 -0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.774 -4.276 -4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.833 -5.198 -2.900 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.517 -1.427 0.183 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.684 -1.414 1.379 1.00 0.00 C ATOM 1006 C VAL A 71 -10.426 -2.008 2.571 1.00 0.00 C ATOM 1007 O VAL A 71 -11.587 -1.680 2.820 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.227 0.014 1.733 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.227 -0.016 2.878 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.631 0.707 0.518 1.00 0.00 C ATOM 0 H VAL A 71 -11.158 -0.637 0.103 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.807 -2.023 1.159 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.100 0.583 2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.915 1.001 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.692 -0.467 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.357 -0.604 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.315 1.714 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.770 0.141 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.380 0.764 -0.272 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.746 -2.884 3.305 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.334 -3.528 4.473 1.00 0.00 C ATOM 1022 C VAL A 72 -9.344 -3.562 5.632 1.00 0.00 C ATOM 1023 O VAL A 72 -8.257 -4.127 5.517 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.797 -4.965 4.156 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.212 -4.958 3.596 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -9.836 -5.642 3.190 1.00 0.00 C ATOM 0 H VAL A 72 -8.785 -3.164 3.110 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.204 -2.936 4.758 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.799 -5.537 5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.522 -5.980 3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.891 -4.521 4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.238 -4.368 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.183 -6.654 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.794 -5.074 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.842 -5.684 3.635 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.731 -2.952 6.748 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.875 -2.900 7.928 1.00 0.00 C ATOM 1038 C LYS A 73 -8.825 -4.247 8.639 1.00 0.00 C ATOM 1039 O LYS A 73 -9.774 -4.637 9.320 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.373 -1.825 8.895 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.557 -1.728 10.177 1.00 0.00 C ATOM 1042 CD LYS A 73 -9.223 -0.820 11.200 1.00 0.00 C ATOM 1043 CE LYS A 73 -9.289 0.621 10.717 1.00 0.00 C ATOM 1044 NZ LYS A 73 -9.941 1.512 11.715 1.00 0.00 N ATOM 0 H LYS A 73 -10.632 -2.487 6.860 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.867 -2.652 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.356 -0.859 8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.412 -2.033 9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.428 -2.723 10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.561 -1.349 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.231 -1.181 11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.671 -0.864 12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.281 0.982 10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.840 0.664 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.966 2.485 11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.912 1.183 11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.401 1.491 12.604 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.713 -4.956 8.476 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.534 -6.250 9.122 1.00 0.00 C ATOM 1060 C ALA A 74 -7.164 -6.062 10.595 1.00 0.00 C ATOM 1061 O ALA A 74 -6.146 -5.439 10.908 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.459 -7.056 8.403 1.00 0.00 C ATOM 0 H ALA A 74 -6.924 -4.657 7.903 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.474 -6.799 9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.336 -8.020 8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.755 -7.214 7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.516 -6.511 8.431 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.982 -6.604 11.520 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.740 -6.485 12.962 1.00 0.00 C ATOM 1070 C PRO A 75 -6.666 -7.442 13.468 1.00 0.00 C ATOM 1071 O PRO A 75 -5.712 -7.026 14.127 1.00 0.00 O ATOM 1072 CB PRO A 75 -9.095 -6.832 13.565 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.671 -7.806 12.606 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.215 -7.367 11.240 1.00 0.00 C ATOM 0 HA PRO A 75 -7.370 -5.496 13.232 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.991 -7.264 14.560 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.726 -5.949 13.666 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.328 -8.817 12.825 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.759 -7.818 12.669 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.021 -8.219 10.588 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.965 -6.751 10.745 1.00 0.00 H new ATOM 1082 N GLN A 76 -6.826 -8.726 13.162 1.00 0.00 N ATOM 1083 CA GLN A 76 -5.869 -9.739 13.590 1.00 0.00 C ATOM 1084 C GLN A 76 -4.649 -9.747 12.679 1.00 0.00 C ATOM 1085 O GLN A 76 -3.816 -10.651 12.744 1.00 0.00 O ATOM 1086 CB GLN A 76 -6.525 -11.119 13.598 1.00 0.00 C ATOM 1087 CG GLN A 76 -7.776 -11.187 14.456 1.00 0.00 C ATOM 1088 CD GLN A 76 -8.296 -12.602 14.621 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -7.528 -13.564 14.605 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -9.607 -12.736 14.784 1.00 0.00 N ATOM 0 H GLN A 76 -7.610 -9.089 12.619 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.544 -9.495 14.602 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.779 -11.398 12.575 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.805 -11.853 13.959 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.561 -10.766 15.438 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.553 -10.569 14.007 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.207 -11.911 14.791 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.014 -13.664 14.902 1.00 0.00 H new ATOM 1099 N GLY A 77 -4.550 -8.729 11.834 1.00 0.00 N ATOM 1100 CA GLY A 77 -3.432 -8.630 10.916 1.00 0.00 C ATOM 1101 C GLY A 77 -3.510 -9.654 9.803 1.00 0.00 C ATOM 1102 O GLY A 77 -4.589 -9.924 9.274 1.00 0.00 O ATOM 0 H GLY A 77 -5.226 -7.968 11.768 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.406 -7.629 10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.500 -8.764 11.466 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.366 -10.225 9.446 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.309 -11.225 8.391 1.00 0.00 C ATOM 1108 C LYS A 78 -1.177 -12.215 8.641 1.00 0.00 C ATOM 1109 O LYS A 78 -1.407 -13.418 8.767 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.124 -10.548 7.036 1.00 0.00 C ATOM 1111 CG LYS A 78 -2.393 -11.467 5.861 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.824 -11.339 5.364 1.00 0.00 C ATOM 1113 CE LYS A 78 -4.822 -11.828 6.398 1.00 0.00 C ATOM 1114 NZ LYS A 78 -6.133 -12.183 5.787 1.00 0.00 N ATOM 0 H LYS A 78 -1.465 -10.011 9.873 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.250 -11.775 8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.790 -9.687 6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.105 -10.168 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.704 -11.232 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.200 -12.499 6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.033 -10.297 5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.943 -11.912 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.414 -12.699 6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.971 -11.055 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.898 -11.971 6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.272 -11.629 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.146 -13.197 5.557 1.00 0.00 H new ATOM 1128 N ASN A 79 0.045 -11.700 8.711 1.00 0.00 N ATOM 1129 CA ASN A 79 1.215 -12.536 8.950 1.00 0.00 C ATOM 1130 C ASN A 79 2.157 -11.884 9.958 1.00 0.00 C ATOM 1131 O ASN A 79 2.896 -10.958 9.621 1.00 0.00 O ATOM 1132 CB ASN A 79 1.958 -12.801 7.639 1.00 0.00 C ATOM 1133 CG ASN A 79 1.119 -13.576 6.643 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.125 -14.807 6.633 1.00 0.00 O ATOM 1135 ND2 ASN A 79 0.392 -12.857 5.796 1.00 0.00 N ATOM 0 H ASN A 79 0.251 -10.707 8.606 1.00 0.00 H new ATOM 0 HA ASN A 79 0.871 -13.484 9.363 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.257 -11.851 7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.872 -13.356 7.849 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.192 -13.323 5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.417 -11.838 5.840 1.00 0.00 H new ATOM 1142 N GLN A 80 2.120 -12.372 11.196 1.00 0.00 N ATOM 1143 CA GLN A 80 2.973 -11.843 12.258 1.00 0.00 C ATOM 1144 C GLN A 80 2.729 -10.353 12.478 1.00 0.00 C ATOM 1145 O GLN A 80 3.523 -9.675 13.130 1.00 0.00 O ATOM 1146 CB GLN A 80 4.447 -12.084 11.922 1.00 0.00 C ATOM 1147 CG GLN A 80 4.821 -13.555 11.848 1.00 0.00 C ATOM 1148 CD GLN A 80 6.284 -13.772 11.505 1.00 0.00 C ATOM 1149 OE1 GLN A 80 6.644 -14.766 10.874 1.00 0.00 O ATOM 1150 NE2 GLN A 80 7.136 -12.843 11.922 1.00 0.00 N ATOM 0 H GLN A 80 1.508 -13.134 11.489 1.00 0.00 H new ATOM 0 HA GLN A 80 2.721 -12.368 13.179 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.675 -11.611 10.967 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.067 -11.597 12.675 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.602 -14.030 12.805 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.200 -14.046 11.099 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.795 -12.035 12.442 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.132 -12.938 11.722 1.00 0.00 H new ATOM 1159 N LYS A 81 1.625 -9.849 11.934 1.00 0.00 N ATOM 1160 CA LYS A 81 1.281 -8.440 12.069 1.00 0.00 C ATOM 1161 C LYS A 81 -0.012 -8.254 12.856 1.00 0.00 C ATOM 1162 O LYS A 81 -0.780 -9.199 13.043 1.00 0.00 O ATOM 1163 CB LYS A 81 1.140 -7.802 10.689 1.00 0.00 C ATOM 1164 CG LYS A 81 2.455 -7.682 9.943 1.00 0.00 C ATOM 1165 CD LYS A 81 3.416 -6.757 10.665 1.00 0.00 C ATOM 1166 CE LYS A 81 4.741 -6.656 9.934 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.644 -5.646 10.552 1.00 0.00 N ATOM 0 H LYS A 81 0.954 -10.397 11.396 1.00 0.00 H new ATOM 0 HA LYS A 81 2.086 -7.951 12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.445 -8.394 10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.701 -6.810 10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.907 -8.668 9.837 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.272 -7.306 8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.971 -5.766 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.584 -7.123 11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.231 -7.630 9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.561 -6.392 8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.538 -5.609 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.188 -4.712 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.838 -5.911 11.539 1.00 0.00 H new ATOM 1181 N SER A 82 -0.243 -7.028 13.313 1.00 0.00 N ATOM 1182 CA SER A 82 -1.446 -6.702 14.071 1.00 0.00 C ATOM 1183 C SER A 82 -2.317 -5.729 13.284 1.00 0.00 C ATOM 1184 O SER A 82 -3.511 -5.960 13.094 1.00 0.00 O ATOM 1185 CB SER A 82 -1.075 -6.097 15.425 1.00 0.00 C ATOM 1186 OG SER A 82 -0.296 -6.999 16.192 1.00 0.00 O ATOM 0 H SER A 82 0.390 -6.241 13.171 1.00 0.00 H new ATOM 0 HA SER A 82 -2.008 -7.620 14.241 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.520 -5.171 15.273 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.982 -5.839 15.972 1.00 0.00 H new ATOM 0 HG SER A 82 -0.071 -6.587 17.052 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.707 -4.641 12.827 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.414 -3.632 12.047 1.00 0.00 C ATOM 1194 C PHE A 83 -2.157 -3.849 10.559 1.00 0.00 C ATOM 1195 O PHE A 83 -1.082 -3.523 10.054 1.00 0.00 O ATOM 1196 CB PHE A 83 -1.956 -2.229 12.452 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.785 -2.044 13.932 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.850 -2.231 14.799 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.556 -1.676 14.456 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.691 -2.056 16.161 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.391 -1.500 15.816 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.460 -1.689 16.670 1.00 0.00 C ATOM 0 H PHE A 83 -0.720 -4.435 12.984 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.482 -3.725 12.244 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.010 -2.010 11.958 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.682 -1.502 12.087 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.815 -2.517 14.406 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.283 -1.525 13.793 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.528 -2.206 16.827 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.573 -1.215 16.211 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.334 -1.550 17.734 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.143 -4.401 9.857 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.998 -4.673 8.430 1.00 0.00 C ATOM 1214 C VAL A 84 -4.208 -4.188 7.636 1.00 0.00 C ATOM 1215 O VAL A 84 -5.312 -4.095 8.164 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.798 -6.185 8.176 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.904 -6.519 6.695 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.463 -6.649 8.734 1.00 0.00 C ATOM 0 H VAL A 84 -4.046 -4.667 10.250 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.118 -4.126 8.092 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.596 -6.717 8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.758 -7.590 6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.890 -6.235 6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.140 -5.972 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.341 -7.716 8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.656 -6.100 8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.434 -6.465 9.808 1.00 0.00 H new ATOM 1228 N PHE A 85 -3.974 -3.862 6.368 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.030 -3.414 5.465 1.00 0.00 C ATOM 1230 C PHE A 85 -4.900 -4.151 4.138 1.00 0.00 C ATOM 1231 O PHE A 85 -3.855 -4.093 3.488 1.00 0.00 O ATOM 1232 CB PHE A 85 -4.955 -1.904 5.235 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.564 -1.084 6.335 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -4.967 -1.019 7.584 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.731 -0.372 6.115 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.526 -0.258 8.593 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.293 0.391 7.119 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.689 0.449 8.359 1.00 0.00 C ATOM 0 H PHE A 85 -3.050 -3.901 5.938 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.996 -3.636 5.919 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.910 -1.617 5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.458 -1.665 4.298 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.056 -1.568 7.771 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.207 -0.414 5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.054 -0.216 9.563 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.204 0.942 6.935 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.126 1.047 9.145 1.00 0.00 H new ATOM 1248 N ILE A 86 -5.959 -4.842 3.736 1.00 0.00 N ATOM 1249 CA ILE A 86 -5.935 -5.614 2.500 1.00 0.00 C ATOM 1250 C ILE A 86 -6.682 -4.924 1.362 1.00 0.00 C ATOM 1251 O ILE A 86 -7.745 -4.338 1.562 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.552 -7.008 2.713 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -5.851 -7.732 3.863 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.469 -7.828 1.432 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.532 -9.023 4.267 1.00 0.00 C ATOM 0 H ILE A 86 -6.842 -4.884 4.245 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.885 -5.702 2.221 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.603 -6.886 2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.823 -7.948 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.806 -7.068 4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.910 -8.811 1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.013 -7.317 0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.425 -7.943 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.982 -9.483 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.552 -8.811 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.553 -9.705 3.417 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.102 -4.997 0.167 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.719 -4.429 -1.023 1.00 0.00 C ATOM 1269 C LEU A 87 -7.379 -5.543 -1.824 1.00 0.00 C ATOM 1270 O LEU A 87 -6.762 -6.577 -2.086 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.683 -3.703 -1.889 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.258 -2.320 -1.387 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.252 -1.696 -2.341 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.468 -1.413 -1.224 1.00 0.00 C ATOM 0 H LEU A 87 -5.202 -5.446 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.468 -3.700 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.795 -4.331 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.087 -3.597 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.785 -2.439 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.960 -0.714 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.371 -2.334 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.703 -1.592 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.144 -0.435 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.970 -1.300 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.158 -1.853 -0.504 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.629 -5.335 -2.212 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.366 -6.343 -2.962 1.00 0.00 C ATOM 1288 C GLU A 88 -9.744 -5.827 -4.348 1.00 0.00 C ATOM 1289 O GLU A 88 -10.586 -4.939 -4.476 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.621 -6.755 -2.191 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.328 -7.333 -0.815 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.586 -7.719 -0.064 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.137 -6.859 0.655 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.022 -8.883 -0.195 1.00 0.00 O ATOM 0 H GLU A 88 -9.153 -4.481 -2.021 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.723 -7.214 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.271 -5.887 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.171 -7.492 -2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.690 -8.210 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.770 -6.602 -0.230 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.134 -6.387 -5.408 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.406 -5.968 -6.788 1.00 0.00 C ATOM 1303 C PRO A 89 -10.860 -6.182 -7.181 1.00 0.00 C ATOM 1304 O PRO A 89 -11.427 -7.250 -6.948 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.490 -6.867 -7.625 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.211 -8.037 -6.748 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.152 -7.485 -5.356 1.00 0.00 C ATOM 0 HA PRO A 89 -9.224 -4.903 -6.931 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.974 -7.173 -8.552 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.571 -6.350 -7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.992 -8.791 -6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.271 -8.517 -7.021 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.419 -8.234 -4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.154 -7.126 -5.103 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.458 -5.160 -7.781 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.847 -5.237 -8.210 1.00 0.00 C ATOM 1317 C LYS A 90 -12.946 -5.833 -9.609 1.00 0.00 C ATOM 1318 O LYS A 90 -14.029 -5.893 -10.192 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.487 -3.848 -8.186 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.418 -3.168 -6.828 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.056 -1.787 -6.856 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.553 -1.865 -7.108 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.186 -0.516 -7.127 1.00 0.00 N ATOM 0 H LYS A 90 -11.003 -4.269 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.383 -5.886 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.993 -3.217 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.531 -3.933 -8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.922 -3.787 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.377 -3.081 -6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.872 -1.282 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.587 -1.185 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.735 -2.365 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.020 -2.474 -6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.207 -0.614 -7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.035 -0.049 -6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.759 0.057 -7.882 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.810 -6.275 -10.142 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.777 -6.869 -11.475 1.00 0.00 C ATOM 1339 C GLN A 91 -12.010 -8.370 -11.399 1.00 0.00 C ATOM 1340 O GLN A 91 -12.155 -9.040 -12.422 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.439 -6.585 -12.163 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.627 -5.486 -11.496 1.00 0.00 C ATOM 1343 CD GLN A 91 -8.345 -5.172 -12.243 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -8.273 -5.315 -13.464 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -7.325 -4.742 -11.511 1.00 0.00 N ATOM 0 H GLN A 91 -10.905 -6.233 -9.674 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.576 -6.417 -12.063 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.848 -7.501 -12.180 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.626 -6.307 -13.200 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -10.233 -4.583 -11.427 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -9.385 -5.786 -10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.430 -4.638 -10.502 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.437 -4.515 -11.958 1.00 0.00 H new ATOM 1354 N GLN A 92 -12.046 -8.888 -10.175 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.260 -10.310 -9.940 1.00 0.00 C ATOM 1356 C GLN A 92 -11.133 -11.151 -10.524 1.00 0.00 C ATOM 1357 O GLN A 92 -10.480 -10.757 -11.491 1.00 0.00 O ATOM 1358 CB GLN A 92 -13.592 -10.764 -10.530 1.00 0.00 C ATOM 1359 CG GLN A 92 -14.716 -10.828 -9.511 1.00 0.00 C ATOM 1360 CD GLN A 92 -16.041 -11.235 -10.127 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -16.308 -10.956 -11.295 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -16.879 -11.900 -9.340 1.00 0.00 N ATOM 0 H GLN A 92 -11.928 -8.338 -9.324 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.276 -10.456 -8.860 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.877 -10.082 -11.331 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.464 -11.748 -10.980 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.451 -11.538 -8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.825 -9.854 -9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.616 -12.110 -8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.785 -12.201 -9.699 1.00 0.00 H new ATOM 1371 N GLY A 93 -10.911 -12.315 -9.926 1.00 0.00 N ATOM 1372 CA GLY A 93 -9.866 -13.204 -10.393 1.00 0.00 C ATOM 1373 C GLY A 93 -8.478 -12.700 -10.052 1.00 0.00 C ATOM 1374 O GLY A 93 -7.531 -13.483 -9.971 1.00 0.00 O ATOM 0 H GLY A 93 -11.438 -12.659 -9.124 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.009 -14.190 -9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.950 -13.323 -11.473 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.354 -11.391 -9.853 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.067 -10.791 -9.522 1.00 0.00 C ATOM 1380 C ASP A 94 -6.704 -11.064 -8.061 1.00 0.00 C ATOM 1381 O ASP A 94 -7.581 -11.310 -7.234 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.094 -9.285 -9.784 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.250 -8.872 -10.672 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.354 -8.641 -10.139 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -8.051 -8.779 -11.901 1.00 0.00 O ATOM 0 H ASP A 94 -9.127 -10.728 -9.915 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.307 -11.244 -10.159 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.162 -8.755 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.156 -8.984 -10.250 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.401 -11.024 -7.727 1.00 0.00 N ATOM 1391 CA PRO A 95 -4.922 -11.277 -6.368 1.00 0.00 C ATOM 1392 C PRO A 95 -4.967 -10.036 -5.476 1.00 0.00 C ATOM 1393 O PRO A 95 -4.876 -8.909 -5.963 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.479 -11.706 -6.605 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.055 -10.930 -7.805 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.287 -10.735 -8.652 1.00 0.00 C ATOM 0 HA PRO A 95 -5.537 -12.010 -5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.851 -11.481 -5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.407 -12.779 -6.780 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.629 -9.970 -7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.285 -11.465 -8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.346 -9.720 -9.044 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.294 -11.409 -9.509 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.111 -10.232 -4.149 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.157 -9.134 -3.184 1.00 0.00 C ATOM 1406 C PRO A 96 -3.763 -8.683 -2.756 1.00 0.00 C ATOM 1407 O PRO A 96 -2.771 -9.357 -3.040 1.00 0.00 O ATOM 1408 CB PRO A 96 -5.901 -9.755 -2.009 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.514 -11.195 -2.040 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.247 -11.543 -3.486 1.00 0.00 C ATOM 0 HA PRO A 96 -5.630 -8.240 -3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.615 -9.288 -1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.979 -9.632 -2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.628 -11.371 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.310 -11.818 -1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.341 -12.140 -3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.064 -12.124 -3.914 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.689 -7.544 -2.073 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.410 -7.014 -1.608 1.00 0.00 C ATOM 1420 C VAL A 97 -2.486 -6.594 -0.142 1.00 0.00 C ATOM 1421 O VAL A 97 -3.291 -5.739 0.228 1.00 0.00 O ATOM 1422 CB VAL A 97 -1.961 -5.806 -2.455 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.561 -5.365 -2.057 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.021 -6.140 -3.938 1.00 0.00 C ATOM 0 H VAL A 97 -4.497 -6.971 -1.830 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.679 -7.815 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.645 -4.979 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.262 -4.512 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.555 -5.080 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.138 -6.186 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.701 -5.275 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.362 -6.983 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.043 -6.402 -4.211 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.641 -7.200 0.690 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.614 -6.892 2.116 1.00 0.00 C ATOM 1436 C GLU A 98 -0.616 -5.779 2.425 1.00 0.00 C ATOM 1437 O GLU A 98 0.448 -5.694 1.809 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.250 -8.139 2.925 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.352 -9.187 2.970 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.689 -9.744 1.601 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.044 -10.728 1.185 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.599 -9.195 0.945 1.00 0.00 O ATOM 0 H GLU A 98 -0.966 -7.907 0.400 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.611 -6.553 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.353 -8.588 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.004 -7.840 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.044 -10.003 3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.248 -8.747 3.409 1.00 0.00 H new ATOM 1449 N PHE A 99 -0.971 -4.926 3.382 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.109 -3.819 3.789 1.00 0.00 C ATOM 1451 C PHE A 99 0.049 -3.790 5.308 1.00 0.00 C ATOM 1452 O PHE A 99 -0.785 -4.328 6.035 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.691 -2.487 3.317 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.809 -2.354 1.826 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.808 -3.017 1.134 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.074 -1.554 1.119 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.923 -2.889 -0.236 1.00 0.00 C ATOM 1458 CE2 PHE A 99 -0.036 -1.420 -0.252 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.036 -2.090 -0.930 1.00 0.00 C ATOM 0 H PHE A 99 -1.853 -4.980 3.892 1.00 0.00 H new ATOM 0 HA PHE A 99 0.868 -3.969 3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.679 -2.359 3.760 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.065 -1.678 3.693 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.506 -3.642 1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.857 -1.029 1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.706 -3.413 -0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.658 -0.793 -0.792 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.124 -1.989 -2.002 1.00 0.00 H new ATOM 1469 N ALA A 100 1.120 -3.159 5.784 1.00 0.00 N ATOM 1470 CA ALA A 100 1.367 -3.063 7.220 1.00 0.00 C ATOM 1471 C ALA A 100 2.294 -1.897 7.559 1.00 0.00 C ATOM 1472 O ALA A 100 3.096 -1.464 6.731 1.00 0.00 O ATOM 1473 CB ALA A 100 1.952 -4.366 7.742 1.00 0.00 C ATOM 0 H ALA A 100 1.826 -2.710 5.201 1.00 0.00 H new ATOM 0 HA ALA A 100 0.410 -2.877 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.131 -4.281 8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.252 -5.180 7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.893 -4.572 7.232 1.00 0.00 H new ATOM 1479 N THR A 101 2.170 -1.395 8.786 1.00 0.00 N ATOM 1480 CA THR A 101 2.994 -0.286 9.256 1.00 0.00 C ATOM 1481 C THR A 101 3.666 -0.636 10.579 1.00 0.00 C ATOM 1482 O THR A 101 3.600 -1.777 11.036 1.00 0.00 O ATOM 1483 CB THR A 101 2.163 0.998 9.441 1.00 0.00 C ATOM 1484 OG1 THR A 101 0.997 0.721 10.225 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.752 1.580 8.096 1.00 0.00 C ATOM 0 H THR A 101 1.503 -1.742 9.475 1.00 0.00 H new ATOM 0 HA THR A 101 3.753 -0.107 8.494 1.00 0.00 H new ATOM 0 HB THR A 101 2.782 1.730 9.959 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.985 1.306 11.011 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.167 2.486 8.255 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.643 1.821 7.516 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.152 0.851 7.552 1.00 0.00 H new ATOM 1493 N ASP A 102 4.316 0.351 11.189 1.00 0.00 N ATOM 1494 CA ASP A 102 4.998 0.144 12.462 1.00 0.00 C ATOM 1495 C ASP A 102 4.465 1.097 13.526 1.00 0.00 C ATOM 1496 O ASP A 102 4.952 1.116 14.657 1.00 0.00 O ATOM 1497 CB ASP A 102 6.505 0.342 12.294 1.00 0.00 C ATOM 1498 CG ASP A 102 7.114 -0.648 11.321 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.165 -0.338 10.112 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.541 -1.733 11.767 1.00 0.00 O ATOM 0 H ASP A 102 4.385 1.301 10.823 1.00 0.00 H new ATOM 0 HA ASP A 102 4.806 -0.879 12.787 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.699 1.356 11.945 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.992 0.240 13.264 1.00 0.00 H new ATOM 1505 N ARG A 103 3.459 1.884 13.157 1.00 0.00 N ATOM 1506 CA ARG A 103 2.858 2.845 14.076 1.00 0.00 C ATOM 1507 C ARG A 103 1.366 2.995 13.800 1.00 0.00 C ATOM 1508 O ARG A 103 0.893 2.679 12.708 1.00 0.00 O ATOM 1509 CB ARG A 103 3.545 4.207 13.950 1.00 0.00 C ATOM 1510 CG ARG A 103 5.027 4.180 14.284 1.00 0.00 C ATOM 1511 CD ARG A 103 5.659 5.553 14.132 1.00 0.00 C ATOM 1512 NE ARG A 103 7.083 5.540 14.456 1.00 0.00 N ATOM 1513 CZ ARG A 103 7.820 6.640 14.584 1.00 0.00 C ATOM 1514 NH1 ARG A 103 7.270 7.835 14.415 1.00 0.00 N ATOM 1515 NH2 ARG A 103 9.108 6.544 14.881 1.00 0.00 N ATOM 0 H ARG A 103 3.042 1.875 12.226 1.00 0.00 H new ATOM 0 HA ARG A 103 2.992 2.470 15.091 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.418 4.574 12.932 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.046 4.917 14.610 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.164 3.827 15.306 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.535 3.471 13.631 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.523 5.903 13.109 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.146 6.262 14.782 1.00 0.00 H new ATOM 0 HE ARG A 103 7.538 4.637 14.592 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.279 7.913 14.186 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.838 8.676 14.514 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.534 5.627 15.011 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.673 7.388 14.979 1.00 0.00 H new ATOM 1529 N VAL A 104 0.629 3.479 14.794 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.808 3.673 14.651 1.00 0.00 C ATOM 1531 C VAL A 104 -1.107 4.937 13.851 1.00 0.00 C ATOM 1532 O VAL A 104 -2.120 5.020 13.155 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.506 3.757 16.025 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -1.027 4.976 16.800 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -3.018 3.780 15.857 1.00 0.00 C ATOM 0 H VAL A 104 1.003 3.743 15.705 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.198 2.807 14.115 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.241 2.868 16.598 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.532 5.015 17.765 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.050 4.908 16.956 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.255 5.879 16.234 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.492 3.839 16.837 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.305 4.647 15.262 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.342 2.870 15.352 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.216 5.920 13.954 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.378 7.179 13.235 1.00 0.00 C ATOM 1547 C GLU A 105 -0.150 6.977 11.741 1.00 0.00 C ATOM 1548 O GLU A 105 -0.979 7.367 10.919 1.00 0.00 O ATOM 1549 CB GLU A 105 0.594 8.230 13.776 1.00 0.00 C ATOM 1550 CG GLU A 105 0.407 8.526 15.255 1.00 0.00 C ATOM 1551 CD GLU A 105 1.385 9.563 15.771 1.00 0.00 C ATOM 1552 OE1 GLU A 105 2.485 9.172 16.215 1.00 0.00 O ATOM 1553 OE2 GLU A 105 1.053 10.766 15.729 1.00 0.00 O ATOM 0 H GLU A 105 0.625 5.868 14.529 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.398 7.531 13.387 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.616 7.889 13.608 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.470 9.153 13.210 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.611 8.876 15.426 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.527 7.604 15.824 1.00 0.00 H new ATOM 1560 N GLU A 106 0.982 6.368 11.397 1.00 0.00 N ATOM 1561 CA GLU A 106 1.315 6.106 10.001 1.00 0.00 C ATOM 1562 C GLU A 106 0.244 5.232 9.360 1.00 0.00 C ATOM 1563 O GLU A 106 0.018 5.288 8.151 1.00 0.00 O ATOM 1564 CB GLU A 106 2.673 5.407 9.897 1.00 0.00 C ATOM 1565 CG GLU A 106 3.781 6.098 10.674 1.00 0.00 C ATOM 1566 CD GLU A 106 4.073 7.493 10.160 1.00 0.00 C ATOM 1567 OE1 GLU A 106 3.402 8.445 10.610 1.00 0.00 O ATOM 1568 OE2 GLU A 106 4.975 7.635 9.308 1.00 0.00 O ATOM 0 H GLU A 106 1.683 6.047 12.065 1.00 0.00 H new ATOM 0 HA GLU A 106 1.364 7.060 9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.573 4.384 10.258 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.961 5.348 8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.501 6.154 11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.688 5.497 10.617 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.410 4.424 10.187 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.458 3.528 9.718 1.00 0.00 C ATOM 1577 C LEU A 107 -2.666 4.312 9.223 1.00 0.00 C ATOM 1578 O LEU A 107 -3.087 4.168 8.077 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.891 2.590 10.846 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.881 1.501 10.432 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.148 0.197 10.178 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.950 1.310 11.496 1.00 0.00 C ATOM 0 H LEU A 107 -0.231 4.372 11.190 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.056 2.945 8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.004 2.114 11.264 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.339 3.185 11.642 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.372 1.814 9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.863 -0.571 9.884 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.419 0.339 9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.634 -0.115 11.087 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.643 0.530 11.180 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.480 1.019 12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.494 2.244 11.637 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.212 5.149 10.096 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.382 5.947 9.760 1.00 0.00 C ATOM 1596 C PHE A 108 -4.064 6.984 8.690 1.00 0.00 C ATOM 1597 O PHE A 108 -4.938 7.385 7.937 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.928 6.641 11.007 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.426 6.594 11.111 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -7.067 5.433 11.513 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.191 7.708 10.807 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.445 5.385 11.609 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.569 7.666 10.901 1.00 0.00 C ATOM 1604 CZ PHE A 108 -9.197 6.503 11.303 1.00 0.00 C ATOM 0 H PHE A 108 -2.862 5.292 11.043 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.138 5.270 9.362 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.495 6.174 11.892 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.604 7.682 11.005 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.484 4.557 11.754 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.705 8.620 10.493 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.934 4.474 11.923 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.154 8.541 10.661 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.274 6.468 11.378 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.816 7.417 8.621 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.422 8.424 7.639 1.00 0.00 C ATOM 1616 C GLU A 109 -2.376 7.849 6.222 1.00 0.00 C ATOM 1617 O GLU A 109 -3.078 8.322 5.324 1.00 0.00 O ATOM 1618 CB GLU A 109 -1.055 9.003 8.013 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.555 10.065 7.049 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.440 11.296 7.026 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -2.393 11.326 6.220 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -1.178 12.230 7.812 1.00 0.00 O ATOM 0 H GLU A 109 -2.061 7.093 9.226 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.173 9.214 7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.114 9.432 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.327 8.193 8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.458 10.356 7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.500 9.643 6.046 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.563 6.818 6.035 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.400 6.189 4.727 1.00 0.00 C ATOM 1631 C TRP A 110 -2.657 5.450 4.271 1.00 0.00 C ATOM 1632 O TRP A 110 -3.117 5.632 3.143 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.230 5.206 4.766 1.00 0.00 C ATOM 1634 CG TRP A 110 1.070 5.791 4.310 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.040 6.351 5.092 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.547 5.868 2.962 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.092 6.769 4.312 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.811 6.483 3.002 1.00 0.00 C ATOM 1639 CE3 TRP A 110 1.027 5.475 1.725 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.561 6.713 1.855 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.776 5.705 0.586 1.00 0.00 C ATOM 1642 CH2 TRP A 110 3.031 6.318 0.658 1.00 0.00 C ATOM 0 H TRP A 110 -1.003 6.396 6.775 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.206 6.988 4.012 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.113 4.836 5.785 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.470 4.346 4.140 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.988 6.451 6.166 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.942 7.218 4.653 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.059 5.001 1.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.530 7.188 1.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.385 5.406 -0.376 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.593 6.483 -0.250 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.207 4.621 5.148 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.384 3.825 4.816 1.00 0.00 C ATOM 1655 C PHE A 111 -5.635 4.675 4.608 1.00 0.00 C ATOM 1656 O PHE A 111 -6.460 4.356 3.752 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.595 2.751 5.880 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.522 1.705 5.822 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.257 1.048 4.631 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.764 1.392 6.936 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.258 0.103 4.553 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.763 0.440 6.864 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.510 -0.203 5.671 1.00 0.00 C ATOM 0 H PHE A 111 -2.858 4.481 6.096 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.200 3.340 3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.603 3.212 6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.569 2.283 5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.841 1.280 3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.956 1.896 7.872 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.060 -0.398 3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.180 0.201 7.741 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.728 -0.945 5.612 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.790 5.748 5.377 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.950 6.617 5.207 1.00 0.00 C ATOM 1675 C GLN A 112 -6.880 7.283 3.839 1.00 0.00 C ATOM 1676 O GLN A 112 -7.902 7.530 3.203 1.00 0.00 O ATOM 1677 CB GLN A 112 -7.013 7.667 6.317 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.345 8.394 6.420 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.551 9.423 5.326 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -9.681 9.688 4.916 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -7.461 10.015 4.852 1.00 0.00 N ATOM 0 H GLN A 112 -5.141 6.033 6.110 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.858 6.017 5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.803 7.183 7.271 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.224 8.401 6.151 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.154 7.664 6.380 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.408 8.887 7.390 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.543 9.765 5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -7.541 10.720 4.119 1.00 0.00 H new ATOM 1690 N SER A 113 -5.656 7.569 3.393 1.00 0.00 N ATOM 1691 CA SER A 113 -5.444 8.178 2.085 1.00 0.00 C ATOM 1692 C SER A 113 -5.802 7.186 0.984 1.00 0.00 C ATOM 1693 O SER A 113 -6.480 7.538 0.018 1.00 0.00 O ATOM 1694 CB SER A 113 -3.991 8.633 1.933 1.00 0.00 C ATOM 1695 OG SER A 113 -3.650 9.587 2.923 1.00 0.00 O ATOM 0 H SER A 113 -4.801 7.388 3.918 1.00 0.00 H new ATOM 0 HA SER A 113 -6.090 9.052 1.999 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.327 7.772 2.009 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.843 9.063 0.942 1.00 0.00 H new ATOM 0 HG SER A 113 -3.421 9.126 3.757 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.338 5.944 1.129 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.643 4.905 0.151 1.00 0.00 C ATOM 1703 C ILE A 114 -7.153 4.750 0.035 1.00 0.00 C ATOM 1704 O ILE A 114 -7.688 4.494 -1.045 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.014 3.543 0.532 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.482 3.625 0.493 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.516 2.448 -0.402 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.785 2.319 0.832 1.00 0.00 C ATOM 0 H ILE A 114 -4.755 5.637 1.908 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.215 5.211 -0.804 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.316 3.296 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.171 3.944 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.152 4.393 1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.065 1.496 -0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.601 2.373 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.242 2.691 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.705 2.459 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.065 2.008 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.084 1.551 0.119 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.833 4.914 1.167 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.285 4.817 1.221 1.00 0.00 C ATOM 1722 C ARG A 115 -9.924 6.080 0.652 1.00 0.00 C ATOM 1723 O ARG A 115 -11.027 6.045 0.110 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.747 4.608 2.666 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.439 3.226 3.215 1.00 0.00 C ATOM 1726 CD ARG A 115 -10.035 3.034 4.600 1.00 0.00 C ATOM 1727 NE ARG A 115 -9.808 1.687 5.114 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.635 1.069 5.952 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.738 1.676 6.369 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.360 -0.158 6.373 1.00 0.00 N ATOM 0 H ARG A 115 -7.395 5.116 2.066 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.597 3.963 0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.271 5.355 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.822 4.780 2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.834 2.468 2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.359 3.082 3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.600 3.761 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.106 3.232 4.564 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.968 1.192 4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.954 2.619 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.370 1.199 7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.513 -0.629 6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -10.995 -0.631 7.016 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.213 7.195 0.779 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.696 8.479 0.288 1.00 0.00 C ATOM 1746 C GLU A 116 -9.879 8.466 -1.227 1.00 0.00 C ATOM 1747 O GLU A 116 -10.587 9.306 -1.782 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.726 9.591 0.689 1.00 0.00 C ATOM 1749 CG GLU A 116 -9.046 10.211 2.038 1.00 0.00 C ATOM 1750 CD GLU A 116 -10.421 10.846 2.079 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -10.535 12.040 1.729 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -11.385 10.150 2.463 1.00 0.00 O ATOM 0 H GLU A 116 -8.295 7.234 1.221 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.670 8.666 0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.713 9.189 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.742 10.370 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.981 9.444 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.295 10.965 2.274 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.236 7.509 -1.889 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.326 7.396 -3.340 1.00 0.00 C ATOM 1761 C ILE A 117 -10.163 6.187 -3.756 1.00 0.00 C ATOM 1762 O ILE A 117 -10.827 6.210 -4.793 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.924 7.296 -3.975 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.105 8.544 -3.634 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.030 7.116 -5.483 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.640 8.431 -3.994 1.00 0.00 C ATOM 0 H ILE A 117 -8.649 6.803 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.817 8.300 -3.701 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.415 6.423 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.532 9.401 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.193 8.744 -2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.030 7.048 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.583 6.202 -5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.553 7.969 -5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.126 9.353 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.196 7.595 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.541 8.263 -5.066 1.00 0.00 H new ATOM 1778 N THR A 118 -10.132 5.138 -2.941 1.00 0.00 N ATOM 1779 CA THR A 118 -10.889 3.924 -3.231 1.00 0.00 C ATOM 1780 C THR A 118 -12.188 3.881 -2.435 1.00 0.00 C ATOM 1781 O THR A 118 -13.279 3.857 -3.005 1.00 0.00 O ATOM 1782 CB THR A 118 -10.068 2.660 -2.915 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.667 2.668 -1.539 1.00 0.00 O ATOM 1784 CG2 THR A 118 -8.837 2.576 -3.804 1.00 0.00 C ATOM 0 H THR A 118 -9.592 5.103 -2.076 1.00 0.00 H new ATOM 0 HA THR A 118 -11.118 3.944 -4.296 1.00 0.00 H new ATOM 0 HB THR A 118 -10.696 1.790 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 118 -8.916 3.286 -1.421 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.274 1.675 -3.561 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.145 2.541 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.209 3.452 -3.639 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.061 3.869 -1.113 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.216 3.827 -0.224 1.00 0.00 C ATOM 1794 C TRP A 119 -14.133 5.027 -0.454 1.00 0.00 C ATOM 1795 O TRP A 119 -15.334 4.961 -0.194 1.00 0.00 O ATOM 1796 CB TRP A 119 -12.746 3.792 1.232 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.856 3.878 2.232 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -14.045 4.864 3.156 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.928 2.946 2.412 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -15.166 4.601 3.902 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.728 3.431 3.464 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.290 1.750 1.786 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.867 2.760 3.903 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.421 1.086 2.223 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -17.199 1.592 3.272 1.00 0.00 C ATOM 0 H TRP A 119 -11.163 3.888 -0.630 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.786 2.924 -0.442 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.189 2.871 1.401 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.055 4.618 1.400 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.406 5.725 3.282 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.523 5.183 4.660 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.697 1.352 0.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.467 3.148 4.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.710 0.161 1.747 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -18.078 1.050 3.589 1.00 0.00 H new ATOM 1816 N LYS A 120 -13.559 6.120 -0.947 1.00 0.00 N ATOM 1817 CA LYS A 120 -14.325 7.333 -1.211 1.00 0.00 C ATOM 1818 C LYS A 120 -14.333 7.658 -2.701 1.00 0.00 C ATOM 1819 O LYS A 120 -13.329 7.482 -3.390 1.00 0.00 O ATOM 1820 CB LYS A 120 -13.744 8.510 -0.423 1.00 0.00 C ATOM 1821 CG LYS A 120 -13.754 8.302 1.085 1.00 0.00 C ATOM 1822 CD LYS A 120 -15.169 8.202 1.637 1.00 0.00 C ATOM 1823 CE LYS A 120 -15.814 9.571 1.799 1.00 0.00 C ATOM 1824 NZ LYS A 120 -16.061 10.237 0.491 1.00 0.00 N ATOM 0 H LYS A 120 -12.567 6.191 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 120 -15.352 7.161 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -12.719 8.684 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -14.311 9.410 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -13.204 7.393 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -13.234 9.129 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -15.777 7.591 0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -15.147 7.695 2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -16.758 9.465 2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -15.170 10.203 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -16.958 10.761 0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -15.284 10.897 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -16.114 9.519 -0.260 1.00 0.00 H new ATOM 1838 N ILE A 121 -15.474 8.134 -3.190 1.00 0.00 N ATOM 1839 CA ILE A 121 -15.616 8.485 -4.598 1.00 0.00 C ATOM 1840 C ILE A 121 -15.868 9.980 -4.763 1.00 0.00 C ATOM 1841 O ILE A 121 -16.991 10.453 -4.593 1.00 0.00 O ATOM 1842 CB ILE A 121 -16.766 7.702 -5.268 1.00 0.00 C ATOM 1843 CG1 ILE A 121 -16.505 6.194 -5.202 1.00 0.00 C ATOM 1844 CG2 ILE A 121 -16.941 8.147 -6.713 1.00 0.00 C ATOM 1845 CD1 ILE A 121 -16.827 5.575 -3.858 1.00 0.00 C ATOM 0 H ILE A 121 -16.314 8.285 -2.631 1.00 0.00 H new ATOM 0 HA ILE A 121 -14.679 8.217 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 121 -17.687 7.915 -4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -17.098 5.698 -5.971 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -15.457 6.006 -5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -17.755 7.585 -7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -17.174 9.211 -6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -16.019 7.963 -7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -16.616 4.506 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -16.215 6.042 -3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -17.881 5.730 -3.629 1.00 0.00 H new ATOM 1857 N ASP A 122 -14.813 10.719 -5.089 1.00 0.00 N ATOM 1858 CA ASP A 122 -14.919 12.161 -5.279 1.00 0.00 C ATOM 1859 C ASP A 122 -15.336 12.491 -6.708 1.00 0.00 C ATOM 1860 O ASP A 122 -14.546 12.350 -7.643 1.00 0.00 O ATOM 1861 CB ASP A 122 -13.587 12.838 -4.953 1.00 0.00 C ATOM 1862 CG ASP A 122 -13.140 12.581 -3.528 1.00 0.00 C ATOM 1863 OD1 ASP A 122 -13.516 13.370 -2.636 1.00 0.00 O ATOM 1864 OD2 ASP A 122 -12.413 11.590 -3.302 1.00 0.00 O ATOM 0 H ASP A 122 -13.875 10.343 -5.227 1.00 0.00 H new ATOM 0 HA ASP A 122 -15.685 12.538 -4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -12.822 12.478 -5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -13.680 13.912 -5.113 1.00 0.00 H new ATOM 1869 N THR A 123 -16.580 12.927 -6.870 1.00 0.00 N ATOM 1870 CA THR A 123 -17.103 13.277 -8.186 1.00 0.00 C ATOM 1871 C THR A 123 -18.321 14.188 -8.068 1.00 0.00 C ATOM 1872 O THR A 123 -18.965 14.247 -7.021 1.00 0.00 O ATOM 1873 CB THR A 123 -17.491 12.020 -8.988 1.00 0.00 C ATOM 1874 OG1 THR A 123 -18.024 12.397 -10.263 1.00 0.00 O ATOM 1875 CG2 THR A 123 -18.515 11.188 -8.231 1.00 0.00 C ATOM 0 H THR A 123 -17.246 13.047 -6.106 1.00 0.00 H new ATOM 0 HA THR A 123 -16.308 13.804 -8.714 1.00 0.00 H new ATOM 0 HB THR A 123 -16.594 11.418 -9.133 1.00 0.00 H new ATOM 0 HG1 THR A 123 -18.266 11.592 -10.767 1.00 0.00 H new ATOM 0 HG21 THR A 123 -18.773 10.306 -8.818 1.00 0.00 H new ATOM 0 HG22 THR A 123 -18.096 10.877 -7.274 1.00 0.00 H new ATOM 0 HG23 THR A 123 -19.411 11.783 -8.058 1.00 0.00 H new ATOM 1883 N LYS A 124 -18.630 14.895 -9.151 1.00 0.00 N ATOM 1884 CA LYS A 124 -19.771 15.804 -9.170 1.00 0.00 C ATOM 1885 C LYS A 124 -20.500 15.740 -10.510 1.00 0.00 C ATOM 1886 O LYS A 124 -21.457 14.946 -10.623 1.00 0.00 O ATOM 1887 CB LYS A 124 -19.315 17.237 -8.879 1.00 0.00 C ATOM 1888 CG LYS A 124 -18.086 17.662 -9.669 1.00 0.00 C ATOM 1889 CD LYS A 124 -17.678 19.089 -9.339 1.00 0.00 C ATOM 1890 CE LYS A 124 -16.452 19.516 -10.129 1.00 0.00 C ATOM 1891 NZ LYS A 124 -16.043 20.912 -9.811 1.00 0.00 N ATOM 1892 OXT LYS A 124 -20.110 16.484 -11.435 1.00 0.00 O ATOM 0 H LYS A 124 -18.107 14.856 -10.026 1.00 0.00 H new ATOM 0 HA LYS A 124 -20.466 15.492 -8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -20.134 17.921 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -19.102 17.332 -7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -17.259 16.986 -9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -18.291 17.579 -10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -18.505 19.764 -9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -17.471 19.172 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -15.627 18.838 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -16.661 19.433 -11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -15.203 21.164 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -16.821 21.563 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -15.819 20.986 -8.798 1.00 0.00 H new TER 1906 LYS A 124