USER MOD reduce.3.24.130724 H: found=0, std=0, add=1069, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1069 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 111 CYS SG : rot 48:sc= -2.6! USER MOD Set 1.2: A 115 ASN : amide:sc= -1.15 X(o=-3.7,f=-4!) USER MOD Set 2.1: A 76 LYS NZ :NH3+ 147:sc= -1.6 (180deg=0.754) USER MOD Set 2.2: A 129 ASN : amide:sc= -2.14 K(o=-3.7,f=2.8) USER MOD Set 3.1: A 44 ASN : amide:sc= -6.63! C(o=-12!,f=-9.1!) USER MOD Set 3.2: A 101 GLN : amide:sc= -5.41! K(o=-12!,f=-9.1) USER MOD Set 4.1: A 12 GLN : amide:sc= -4.88! C(o=-7.5!,f=-17!) USER MOD Set 4.2: A 15 GLN : amide:sc= -2.6! C(o=-7.5!,f=-11!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -4.73! C(o=-4.7!,f=-5.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -44:sc= 0.121 USER MOD Single : A 20 ASN : amide:sc= -3.31 K(o=-3.3,f=-7.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.0217 (180deg=-0.407) USER MOD Single : A 34 SER OG : rot 102:sc= 0.915 USER MOD Single : A 36 MET CE :methyl -153:sc= -3.26 (180deg=-5.35!) USER MOD Single : A 37 GLN : amide:sc= -0.0369 K(o=-0.037,f=-2.3!) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -0.113 (180deg=-0.698) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 49 MET CE :methyl 174:sc= -0.0118 (180deg=-0.0561) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 23:sc= 0.722 USER MOD Single : A 61 ASN : amide:sc= -0.27 K(o=-0.27,f=-3.7!) USER MOD Single : A 74 ASN : amide:sc= -2.25! C(o=-2.2!,f=-5.2!) USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.104) USER MOD Single : A 79 GLN : amide:sc= -6.32! C(o=-6.3!,f=-1.5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -2.12 X(o=-2.1,f=-2.4!) USER MOD Single : A 89 SER OG : rot 46:sc= 0.974 USER MOD Single : A 90 SER OG : rot -15:sc= 0.937 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00616 USER MOD Single : A 93 SER OG : rot 180:sc= -0.133 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 162:sc= 0.117 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 30:sc= -0.152 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -135:sc= -0.119 (180deg=-0.857) USER MOD Single : A 117 SER OG : rot -115:sc= 0.655 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 123 GLN : amide:sc= -0.0946 X(o=-0.095,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 3 101.244 -12.004 16.231 1.00 0.00 N ATOM 2 CA GLY A 3 101.323 -12.547 14.845 1.00 0.00 C ATOM 3 C GLY A 3 102.689 -12.211 14.244 1.00 0.00 C ATOM 4 O GLY A 3 103.130 -12.829 13.294 1.00 0.00 O ATOM 0 HA2 GLY A 3 101.174 -13.627 14.857 1.00 0.00 H new ATOM 0 HA3 GLY A 3 100.529 -12.123 14.231 1.00 0.00 H new ATOM 8 N TRP A 4 103.364 -11.236 14.795 1.00 0.00 N ATOM 9 CA TRP A 4 104.711 -10.845 14.274 1.00 0.00 C ATOM 10 C TRP A 4 105.644 -10.583 15.460 1.00 0.00 C ATOM 11 O TRP A 4 105.259 -9.973 16.437 1.00 0.00 O ATOM 12 CB TRP A 4 104.587 -9.576 13.425 1.00 0.00 C ATOM 13 CG TRP A 4 105.942 -9.172 12.941 1.00 0.00 C ATOM 14 CD1 TRP A 4 106.521 -9.598 11.794 1.00 0.00 C ATOM 15 CD2 TRP A 4 106.897 -8.272 13.571 1.00 0.00 C ATOM 16 NE1 TRP A 4 107.774 -9.019 11.682 1.00 0.00 N ATOM 17 CE2 TRP A 4 108.049 -8.193 12.754 1.00 0.00 C ATOM 18 CE3 TRP A 4 106.875 -7.524 14.761 1.00 0.00 C ATOM 19 CZ2 TRP A 4 109.140 -7.400 13.106 1.00 0.00 C ATOM 20 CZ3 TRP A 4 107.972 -6.725 15.119 1.00 0.00 C ATOM 21 CH2 TRP A 4 109.103 -6.663 14.293 1.00 0.00 C ATOM 0 H TRP A 4 103.038 -10.688 15.591 1.00 0.00 H new ATOM 0 HA TRP A 4 105.115 -11.647 13.656 1.00 0.00 H new ATOM 0 HB2 TRP A 4 103.924 -9.754 12.578 1.00 0.00 H new ATOM 0 HB3 TRP A 4 104.144 -8.773 14.013 1.00 0.00 H new ATOM 0 HD1 TRP A 4 106.078 -10.279 11.082 1.00 0.00 H new ATOM 0 HE1 TRP A 4 108.414 -9.182 10.905 1.00 0.00 H new ATOM 0 HE3 TRP A 4 106.008 -7.564 15.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 110.008 -7.355 12.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 107.945 -6.155 16.036 1.00 0.00 H new ATOM 0 HH2 TRP A 4 109.944 -6.047 14.573 1.00 0.00 H new ATOM 32 N SER A 5 106.867 -11.050 15.386 1.00 0.00 N ATOM 33 CA SER A 5 107.830 -10.841 16.516 1.00 0.00 C ATOM 34 C SER A 5 109.215 -10.500 15.963 1.00 0.00 C ATOM 35 O SER A 5 109.522 -10.757 14.816 1.00 0.00 O ATOM 36 CB SER A 5 107.918 -12.118 17.351 1.00 0.00 C ATOM 37 OG SER A 5 108.499 -13.152 16.567 1.00 0.00 O ATOM 0 H SER A 5 107.242 -11.568 14.591 1.00 0.00 H new ATOM 0 HA SER A 5 107.479 -10.018 17.139 1.00 0.00 H new ATOM 0 HB2 SER A 5 108.518 -11.942 18.244 1.00 0.00 H new ATOM 0 HB3 SER A 5 106.925 -12.415 17.688 1.00 0.00 H new ATOM 0 HG SER A 5 108.559 -13.972 17.100 1.00 0.00 H new ATOM 43 N PHE A 6 110.049 -9.909 16.777 1.00 0.00 N ATOM 44 CA PHE A 6 111.416 -9.527 16.318 1.00 0.00 C ATOM 45 C PHE A 6 112.226 -10.772 15.929 1.00 0.00 C ATOM 46 O PHE A 6 112.919 -10.776 14.932 1.00 0.00 O ATOM 47 CB PHE A 6 112.133 -8.765 17.461 1.00 0.00 C ATOM 48 CG PHE A 6 112.184 -7.284 17.153 1.00 0.00 C ATOM 49 CD1 PHE A 6 112.985 -6.834 16.101 1.00 0.00 C ATOM 50 CD2 PHE A 6 111.438 -6.372 17.910 1.00 0.00 C ATOM 51 CE1 PHE A 6 113.045 -5.469 15.801 1.00 0.00 C ATOM 52 CE2 PHE A 6 111.497 -5.006 17.611 1.00 0.00 C ATOM 53 CZ PHE A 6 112.301 -4.554 16.557 1.00 0.00 C ATOM 0 H PHE A 6 109.840 -9.673 17.747 1.00 0.00 H new ATOM 0 HA PHE A 6 111.334 -8.888 15.439 1.00 0.00 H new ATOM 0 HB2 PHE A 6 111.609 -8.930 18.402 1.00 0.00 H new ATOM 0 HB3 PHE A 6 113.144 -9.152 17.587 1.00 0.00 H new ATOM 0 HD1 PHE A 6 113.558 -7.540 15.519 1.00 0.00 H new ATOM 0 HD2 PHE A 6 110.819 -6.722 18.723 1.00 0.00 H new ATOM 0 HE1 PHE A 6 113.664 -5.121 14.987 1.00 0.00 H new ATOM 0 HE2 PHE A 6 110.923 -4.300 18.193 1.00 0.00 H new ATOM 0 HZ PHE A 6 112.347 -3.500 16.327 1.00 0.00 H new ATOM 63 N GLU A 7 112.167 -11.814 16.706 1.00 0.00 N ATOM 64 CA GLU A 7 112.965 -13.018 16.355 1.00 0.00 C ATOM 65 C GLU A 7 112.527 -13.537 14.987 1.00 0.00 C ATOM 66 O GLU A 7 113.321 -14.045 14.220 1.00 0.00 O ATOM 67 CB GLU A 7 112.766 -14.118 17.395 1.00 0.00 C ATOM 68 CG GLU A 7 113.337 -13.666 18.739 1.00 0.00 C ATOM 69 CD GLU A 7 113.135 -14.773 19.776 1.00 0.00 C ATOM 70 OE1 GLU A 7 112.425 -15.717 19.475 1.00 0.00 O ATOM 71 OE2 GLU A 7 113.694 -14.657 20.854 1.00 0.00 O ATOM 0 H GLU A 7 111.609 -11.885 17.557 1.00 0.00 H new ATOM 0 HA GLU A 7 114.019 -12.741 16.331 1.00 0.00 H new ATOM 0 HB2 GLU A 7 111.705 -14.347 17.498 1.00 0.00 H new ATOM 0 HB3 GLU A 7 113.259 -15.034 17.069 1.00 0.00 H new ATOM 0 HG2 GLU A 7 114.398 -13.437 18.637 1.00 0.00 H new ATOM 0 HG3 GLU A 7 112.844 -12.751 19.067 1.00 0.00 H new ATOM 78 N GLU A 8 111.263 -13.429 14.680 1.00 0.00 N ATOM 79 CA GLU A 8 110.779 -13.930 13.367 1.00 0.00 C ATOM 80 C GLU A 8 111.505 -13.182 12.248 1.00 0.00 C ATOM 81 O GLU A 8 111.933 -13.766 11.280 1.00 0.00 O ATOM 82 CB GLU A 8 109.271 -13.691 13.258 1.00 0.00 C ATOM 83 CG GLU A 8 108.740 -14.317 11.967 1.00 0.00 C ATOM 84 CD GLU A 8 107.231 -14.081 11.868 1.00 0.00 C ATOM 85 OE1 GLU A 8 106.663 -13.595 12.832 1.00 0.00 O ATOM 86 OE2 GLU A 8 106.668 -14.399 10.833 1.00 0.00 O ATOM 0 H GLU A 8 110.549 -13.017 15.280 1.00 0.00 H new ATOM 0 HA GLU A 8 110.980 -14.998 13.280 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.762 -14.123 14.119 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.061 -12.621 13.268 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.244 -13.881 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 8 108.953 -15.386 11.954 1.00 0.00 H new ATOM 93 N GLN A 9 111.666 -11.895 12.378 1.00 0.00 N ATOM 94 CA GLN A 9 112.388 -11.133 11.322 1.00 0.00 C ATOM 95 C GLN A 9 113.863 -11.549 11.333 1.00 0.00 C ATOM 96 O GLN A 9 114.501 -11.655 10.304 1.00 0.00 O ATOM 97 CB GLN A 9 112.276 -9.627 11.597 1.00 0.00 C ATOM 98 CG GLN A 9 113.020 -8.848 10.505 1.00 0.00 C ATOM 99 CD GLN A 9 112.911 -7.346 10.773 1.00 0.00 C ATOM 100 OE1 GLN A 9 112.138 -6.919 11.605 1.00 0.00 O ATOM 101 NE2 GLN A 9 113.672 -6.523 10.105 1.00 0.00 N ATOM 0 H GLN A 9 111.331 -11.340 13.166 1.00 0.00 H new ATOM 0 HA GLN A 9 111.948 -11.348 10.348 1.00 0.00 H new ATOM 0 HB2 GLN A 9 111.228 -9.328 11.621 1.00 0.00 H new ATOM 0 HB3 GLN A 9 112.696 -9.393 12.575 1.00 0.00 H new ATOM 0 HG2 GLN A 9 114.068 -9.147 10.482 1.00 0.00 H new ATOM 0 HG3 GLN A 9 112.600 -9.084 9.527 1.00 0.00 H new ATOM 0 HE21 GLN A 9 114.322 -6.883 9.406 1.00 0.00 H new ATOM 0 HE22 GLN A 9 113.617 -5.520 10.282 1.00 0.00 H new ATOM 110 N PHE A 10 114.410 -11.755 12.500 1.00 0.00 N ATOM 111 CA PHE A 10 115.850 -12.131 12.614 1.00 0.00 C ATOM 112 C PHE A 10 116.136 -13.450 11.876 1.00 0.00 C ATOM 113 O PHE A 10 117.045 -13.532 11.073 1.00 0.00 O ATOM 114 CB PHE A 10 116.174 -12.282 14.103 1.00 0.00 C ATOM 115 CG PHE A 10 117.568 -12.824 14.294 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.668 -11.961 14.255 1.00 0.00 C ATOM 117 CD2 PHE A 10 117.754 -14.192 14.528 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.960 -12.467 14.445 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.046 -14.698 14.718 1.00 0.00 C ATOM 120 CZ PHE A 10 120.149 -13.835 14.676 1.00 0.00 C ATOM 0 H PHE A 10 113.916 -11.678 13.389 1.00 0.00 H new ATOM 0 HA PHE A 10 116.471 -11.360 12.158 1.00 0.00 H new ATOM 0 HB2 PHE A 10 116.083 -11.316 14.600 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.451 -12.950 14.571 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.521 -10.906 14.079 1.00 0.00 H new ATOM 0 HD2 PHE A 10 116.903 -14.856 14.562 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.810 -11.802 14.413 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.192 -15.753 14.897 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.145 -14.225 14.822 1.00 0.00 H new ATOM 130 N LYS A 11 115.375 -14.479 12.120 1.00 0.00 N ATOM 131 CA LYS A 11 115.636 -15.765 11.405 1.00 0.00 C ATOM 132 C LYS A 11 115.477 -15.557 9.899 1.00 0.00 C ATOM 133 O LYS A 11 116.178 -16.154 9.102 1.00 0.00 O ATOM 134 CB LYS A 11 114.667 -16.846 11.896 1.00 0.00 C ATOM 135 CG LYS A 11 113.227 -16.359 11.735 1.00 0.00 C ATOM 136 CD LYS A 11 112.254 -17.470 12.153 1.00 0.00 C ATOM 137 CE LYS A 11 112.270 -17.652 13.677 1.00 0.00 C ATOM 138 NZ LYS A 11 111.011 -18.325 14.104 1.00 0.00 N ATOM 0 H LYS A 11 114.593 -14.490 12.774 1.00 0.00 H new ATOM 0 HA LYS A 11 116.655 -16.091 11.613 1.00 0.00 H new ATOM 0 HB2 LYS A 11 114.816 -17.765 11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.867 -17.080 12.942 1.00 0.00 H new ATOM 0 HG2 LYS A 11 113.063 -15.471 12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.044 -16.073 10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 11 111.246 -17.223 11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 11 112.530 -18.405 11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 11 113.133 -18.247 13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.364 -16.684 14.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 111.017 -18.450 15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 110.195 -17.740 13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 110.941 -19.254 13.643 1.00 0.00 H new ATOM 152 N GLN A 12 114.575 -14.710 9.495 1.00 0.00 N ATOM 153 CA GLN A 12 114.402 -14.475 8.041 1.00 0.00 C ATOM 154 C GLN A 12 115.722 -13.951 7.484 1.00 0.00 C ATOM 155 O GLN A 12 116.140 -14.323 6.415 1.00 0.00 O ATOM 156 CB GLN A 12 113.289 -13.450 7.797 1.00 0.00 C ATOM 157 CG GLN A 12 111.938 -14.029 8.250 1.00 0.00 C ATOM 158 CD GLN A 12 111.347 -14.929 7.161 1.00 0.00 C ATOM 159 OE1 GLN A 12 112.039 -15.741 6.582 1.00 0.00 O ATOM 160 NE2 GLN A 12 110.082 -14.821 6.864 1.00 0.00 N ATOM 0 H GLN A 12 113.956 -14.175 10.104 1.00 0.00 H new ATOM 0 HA GLN A 12 114.124 -15.405 7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.502 -12.531 8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.247 -13.190 6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 12 112.070 -14.600 9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 12 111.245 -13.218 8.475 1.00 0.00 H new ATOM 0 HE21 GLN A 12 109.500 -14.139 7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 12 109.674 -15.419 6.145 1.00 0.00 H new ATOM 169 N VAL A 13 116.395 -13.094 8.200 1.00 0.00 N ATOM 170 CA VAL A 13 117.686 -12.572 7.678 1.00 0.00 C ATOM 171 C VAL A 13 118.606 -13.758 7.373 1.00 0.00 C ATOM 172 O VAL A 13 119.370 -13.729 6.429 1.00 0.00 O ATOM 173 CB VAL A 13 118.319 -11.596 8.712 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.376 -12.292 9.587 1.00 0.00 C ATOM 175 CG2 VAL A 13 118.978 -10.419 7.984 1.00 0.00 C ATOM 0 H VAL A 13 116.111 -12.737 9.112 1.00 0.00 H new ATOM 0 HA VAL A 13 117.529 -12.010 6.757 1.00 0.00 H new ATOM 0 HB VAL A 13 117.515 -11.243 9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 13 119.792 -11.575 10.294 1.00 0.00 H new ATOM 0 HG12 VAL A 13 118.912 -13.113 10.133 1.00 0.00 H new ATOM 0 HG13 VAL A 13 120.173 -12.682 8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 13 119.419 -9.740 8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 13 119.757 -10.792 7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 13 118.228 -9.886 7.400 1.00 0.00 H new ATOM 185 N ARG A 14 118.536 -14.806 8.150 1.00 0.00 N ATOM 186 CA ARG A 14 119.414 -15.972 7.861 1.00 0.00 C ATOM 187 C ARG A 14 119.109 -16.496 6.458 1.00 0.00 C ATOM 188 O ARG A 14 120.000 -16.875 5.724 1.00 0.00 O ATOM 189 CB ARG A 14 119.165 -17.086 8.886 1.00 0.00 C ATOM 190 CG ARG A 14 120.132 -18.242 8.614 1.00 0.00 C ATOM 191 CD ARG A 14 120.015 -19.294 9.720 1.00 0.00 C ATOM 192 NE ARG A 14 118.709 -20.005 9.609 1.00 0.00 N ATOM 193 CZ ARG A 14 118.543 -21.153 10.210 1.00 0.00 C ATOM 194 NH1 ARG A 14 119.016 -21.334 11.412 1.00 0.00 N ATOM 195 NH2 ARG A 14 117.906 -22.121 9.607 1.00 0.00 N ATOM 0 H ARG A 14 117.920 -14.904 8.957 1.00 0.00 H new ATOM 0 HA ARG A 14 120.456 -15.660 7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.309 -16.706 9.897 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.134 -17.434 8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 14 119.910 -18.693 7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 14 121.154 -17.868 8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 14 120.835 -20.008 9.643 1.00 0.00 H new ATOM 0 HD3 ARG A 14 120.098 -18.818 10.697 1.00 0.00 H new ATOM 0 HE ARG A 14 117.948 -19.597 9.066 1.00 0.00 H new ATOM 0 HH11 ARG A 14 119.515 -20.579 11.883 1.00 0.00 H new ATOM 0 HH12 ARG A 14 118.886 -22.230 11.881 1.00 0.00 H new ATOM 0 HH21 ARG A 14 117.538 -21.981 8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 14 117.777 -23.017 10.077 1.00 0.00 H new ATOM 209 N GLN A 15 117.861 -16.533 6.073 1.00 0.00 N ATOM 210 CA GLN A 15 117.533 -17.048 4.715 1.00 0.00 C ATOM 211 C GLN A 15 118.159 -16.137 3.642 1.00 0.00 C ATOM 212 O GLN A 15 118.482 -16.585 2.560 1.00 0.00 O ATOM 213 CB GLN A 15 116.000 -17.178 4.542 1.00 0.00 C ATOM 214 CG GLN A 15 115.375 -15.896 3.960 1.00 0.00 C ATOM 215 CD GLN A 15 113.915 -15.776 4.410 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.534 -14.796 5.019 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.079 -16.739 4.134 1.00 0.00 N ATOM 0 H GLN A 15 117.064 -16.232 6.634 1.00 0.00 H new ATOM 0 HA GLN A 15 117.958 -18.045 4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 15 115.779 -18.020 3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.543 -17.398 5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.939 -15.024 4.290 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.429 -15.917 2.872 1.00 0.00 H new ATOM 0 HE21 GLN A 15 113.399 -17.561 3.623 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.105 -16.669 4.429 1.00 0.00 H new ATOM 226 N LEU A 16 118.340 -14.862 3.921 1.00 0.00 N ATOM 227 CA LEU A 16 118.951 -13.977 2.882 1.00 0.00 C ATOM 228 C LEU A 16 120.389 -14.447 2.621 1.00 0.00 C ATOM 229 O LEU A 16 120.792 -14.644 1.492 1.00 0.00 O ATOM 230 CB LEU A 16 118.966 -12.502 3.354 1.00 0.00 C ATOM 231 CG LEU A 16 117.630 -11.792 3.009 1.00 0.00 C ATOM 232 CD1 LEU A 16 116.578 -12.051 4.109 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.878 -10.278 2.875 1.00 0.00 C ATOM 0 H LEU A 16 118.096 -14.409 4.802 1.00 0.00 H new ATOM 0 HA LEU A 16 118.359 -14.037 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.135 -12.463 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.795 -11.974 2.882 1.00 0.00 H new ATOM 0 HG LEU A 16 117.252 -12.189 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 16 115.648 -11.545 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 16 116.397 -13.122 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 16 116.945 -11.668 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.941 -9.776 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 16 118.266 -9.888 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 16 118.603 -10.097 2.081 1.00 0.00 H new ATOM 245 N TYR A 17 121.161 -14.642 3.654 1.00 0.00 N ATOM 246 CA TYR A 17 122.564 -15.113 3.461 1.00 0.00 C ATOM 247 C TYR A 17 122.552 -16.469 2.748 1.00 0.00 C ATOM 248 O TYR A 17 123.378 -16.746 1.900 1.00 0.00 O ATOM 249 CB TYR A 17 123.251 -15.256 4.827 1.00 0.00 C ATOM 250 CG TYR A 17 123.708 -13.902 5.314 1.00 0.00 C ATOM 251 CD1 TYR A 17 124.980 -13.435 4.966 1.00 0.00 C ATOM 252 CD2 TYR A 17 122.866 -13.117 6.108 1.00 0.00 C ATOM 253 CE1 TYR A 17 125.413 -12.182 5.412 1.00 0.00 C ATOM 254 CE2 TYR A 17 123.297 -11.862 6.555 1.00 0.00 C ATOM 255 CZ TYR A 17 124.572 -11.395 6.208 1.00 0.00 C ATOM 256 OH TYR A 17 125.000 -10.159 6.651 1.00 0.00 O ATOM 0 H TYR A 17 120.882 -14.496 4.624 1.00 0.00 H new ATOM 0 HA TYR A 17 123.111 -14.389 2.857 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.562 -15.698 5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.103 -15.931 4.747 1.00 0.00 H new ATOM 0 HD1 TYR A 17 125.628 -14.043 4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 17 121.884 -13.478 6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 17 126.395 -11.822 5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 17 122.647 -11.254 7.167 1.00 0.00 H new ATOM 0 HH TYR A 17 125.925 -10.227 6.966 1.00 0.00 H new ATOM 266 N GLU A 18 121.635 -17.323 3.106 1.00 0.00 N ATOM 267 CA GLU A 18 121.578 -18.676 2.475 1.00 0.00 C ATOM 268 C GLU A 18 121.187 -18.577 0.995 1.00 0.00 C ATOM 269 O GLU A 18 121.176 -19.566 0.289 1.00 0.00 O ATOM 270 CB GLU A 18 120.550 -19.532 3.214 1.00 0.00 C ATOM 271 CG GLU A 18 121.054 -19.820 4.630 1.00 0.00 C ATOM 272 CD GLU A 18 119.999 -20.622 5.393 1.00 0.00 C ATOM 273 OE1 GLU A 18 119.053 -20.017 5.869 1.00 0.00 O ATOM 274 OE2 GLU A 18 120.156 -21.829 5.489 1.00 0.00 O ATOM 0 H GLU A 18 120.919 -17.144 3.810 1.00 0.00 H new ATOM 0 HA GLU A 18 122.566 -19.132 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.592 -19.015 3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.385 -20.466 2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 18 121.990 -20.377 4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 18 121.263 -18.885 5.151 1.00 0.00 H new ATOM 281 N ILE A 19 120.867 -17.407 0.506 1.00 0.00 N ATOM 282 CA ILE A 19 120.484 -17.298 -0.933 1.00 0.00 C ATOM 283 C ILE A 19 121.610 -17.864 -1.804 1.00 0.00 C ATOM 284 O ILE A 19 121.365 -18.559 -2.770 1.00 0.00 O ATOM 285 CB ILE A 19 120.233 -15.828 -1.297 1.00 0.00 C ATOM 286 CG1 ILE A 19 118.947 -15.355 -0.614 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.086 -15.680 -2.816 1.00 0.00 C ATOM 288 CD1 ILE A 19 118.848 -13.828 -0.711 1.00 0.00 C ATOM 0 H ILE A 19 120.854 -16.533 1.032 1.00 0.00 H new ATOM 0 HA ILE A 19 119.570 -17.866 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 19 121.077 -15.225 -0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.080 -15.817 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 19 118.943 -15.665 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 19 119.908 -14.634 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 19 121.000 -16.019 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.246 -16.282 -3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 19 117.932 -13.491 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 19 119.708 -13.376 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 19 118.833 -13.530 -1.759 1.00 0.00 H new ATOM 300 N ASN A 20 122.842 -17.589 -1.470 1.00 0.00 N ATOM 301 CA ASN A 20 123.963 -18.130 -2.282 1.00 0.00 C ATOM 302 C ASN A 20 125.285 -17.855 -1.570 1.00 0.00 C ATOM 303 O ASN A 20 125.341 -17.144 -0.586 1.00 0.00 O ATOM 304 CB ASN A 20 123.982 -17.463 -3.660 1.00 0.00 C ATOM 305 CG ASN A 20 124.893 -18.259 -4.596 1.00 0.00 C ATOM 306 OD1 ASN A 20 125.756 -17.700 -5.244 1.00 0.00 O ATOM 307 ND2 ASN A 20 124.736 -19.551 -4.695 1.00 0.00 N ATOM 0 H ASN A 20 123.117 -17.015 -0.673 1.00 0.00 H new ATOM 0 HA ASN A 20 123.827 -19.204 -2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 20 122.972 -17.418 -4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 20 124.338 -16.436 -3.575 1.00 0.00 H new ATOM 0 HD21 ASN A 20 125.338 -20.092 -5.316 1.00 0.00 H new ATOM 0 HD22 ASN A 20 124.012 -20.020 -4.151 1.00 0.00 H new ATOM 314 N ASP A 21 126.349 -18.422 -2.061 1.00 0.00 N ATOM 315 CA ASP A 21 127.684 -18.215 -1.428 1.00 0.00 C ATOM 316 C ASP A 21 128.414 -17.079 -2.146 1.00 0.00 C ATOM 317 O ASP A 21 129.625 -16.982 -2.101 1.00 0.00 O ATOM 318 CB ASP A 21 128.500 -19.504 -1.549 1.00 0.00 C ATOM 319 CG ASP A 21 128.741 -19.820 -3.027 1.00 0.00 C ATOM 320 OD1 ASP A 21 128.004 -19.303 -3.850 1.00 0.00 O ATOM 321 OD2 ASP A 21 129.657 -20.576 -3.309 1.00 0.00 O ATOM 0 H ASP A 21 126.353 -19.027 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 21 127.559 -17.957 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 21 129.452 -19.394 -1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 21 127.970 -20.328 -1.072 1.00 0.00 H new ATOM 326 N ASP A 22 127.692 -16.224 -2.822 1.00 0.00 N ATOM 327 CA ASP A 22 128.358 -15.107 -3.551 1.00 0.00 C ATOM 328 C ASP A 22 129.118 -14.206 -2.544 1.00 0.00 C ATOM 329 O ASP A 22 128.517 -13.709 -1.611 1.00 0.00 O ATOM 330 CB ASP A 22 127.293 -14.279 -4.270 1.00 0.00 C ATOM 331 CG ASP A 22 126.703 -15.099 -5.419 1.00 0.00 C ATOM 332 OD1 ASP A 22 127.414 -15.937 -5.951 1.00 0.00 O ATOM 333 OD2 ASP A 22 125.549 -14.877 -5.750 1.00 0.00 O ATOM 0 H ASP A 22 126.675 -16.251 -2.900 1.00 0.00 H new ATOM 0 HA ASP A 22 129.065 -15.512 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 22 126.507 -13.992 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 22 127.731 -13.357 -4.653 1.00 0.00 H new ATOM 338 N PRO A 23 130.419 -13.976 -2.702 1.00 0.00 N ATOM 339 CA PRO A 23 131.158 -13.104 -1.735 1.00 0.00 C ATOM 340 C PRO A 23 130.629 -11.657 -1.707 1.00 0.00 C ATOM 341 O PRO A 23 130.550 -11.036 -0.666 1.00 0.00 O ATOM 342 CB PRO A 23 132.608 -13.136 -2.272 1.00 0.00 C ATOM 343 CG PRO A 23 132.648 -14.008 -3.543 1.00 0.00 C ATOM 344 CD PRO A 23 131.236 -14.561 -3.810 1.00 0.00 C ATOM 0 HA PRO A 23 131.052 -13.457 -0.709 1.00 0.00 H new ATOM 0 HB2 PRO A 23 132.950 -12.126 -2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.282 -13.540 -1.516 1.00 0.00 H new ATOM 0 HG2 PRO A 23 132.990 -13.419 -4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.356 -14.827 -3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 23 130.863 -14.256 -4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.221 -15.651 -3.788 1.00 0.00 H new ATOM 352 N LYS A 24 130.299 -11.112 -2.845 1.00 0.00 N ATOM 353 CA LYS A 24 129.815 -9.702 -2.884 1.00 0.00 C ATOM 354 C LYS A 24 128.551 -9.558 -2.037 1.00 0.00 C ATOM 355 O LYS A 24 128.450 -8.680 -1.204 1.00 0.00 O ATOM 356 CB LYS A 24 129.505 -9.321 -4.333 1.00 0.00 C ATOM 357 CG LYS A 24 129.247 -7.816 -4.430 1.00 0.00 C ATOM 358 CD LYS A 24 128.789 -7.461 -5.851 1.00 0.00 C ATOM 359 CE LYS A 24 129.857 -7.881 -6.872 1.00 0.00 C ATOM 360 NZ LYS A 24 129.702 -7.071 -8.114 1.00 0.00 N ATOM 0 H LYS A 24 130.343 -11.581 -3.750 1.00 0.00 H new ATOM 0 HA LYS A 24 130.586 -9.044 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 24 130.339 -9.598 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 24 128.633 -9.872 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 24 128.486 -7.520 -3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 24 130.154 -7.265 -4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 24 127.846 -7.961 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 24 128.606 -6.389 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 24 130.853 -7.737 -6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 24 129.758 -8.942 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 130.425 -7.355 -8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 128.756 -7.230 -8.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 129.817 -6.063 -7.887 1.00 0.00 H new ATOM 374 N ARG A 25 127.585 -10.408 -2.234 1.00 0.00 N ATOM 375 CA ARG A 25 126.340 -10.303 -1.427 1.00 0.00 C ATOM 376 C ARG A 25 126.644 -10.577 0.048 1.00 0.00 C ATOM 377 O ARG A 25 126.181 -9.877 0.926 1.00 0.00 O ATOM 378 CB ARG A 25 125.311 -11.312 -1.944 1.00 0.00 C ATOM 379 CG ARG A 25 124.048 -11.259 -1.072 1.00 0.00 C ATOM 380 CD ARG A 25 122.857 -11.832 -1.846 1.00 0.00 C ATOM 381 NE ARG A 25 123.185 -13.208 -2.328 1.00 0.00 N ATOM 382 CZ ARG A 25 122.843 -13.584 -3.534 1.00 0.00 C ATOM 383 NH1 ARG A 25 121.653 -13.303 -3.993 1.00 0.00 N ATOM 384 NH2 ARG A 25 123.692 -14.236 -4.281 1.00 0.00 N ATOM 0 H ARG A 25 127.603 -11.167 -2.915 1.00 0.00 H new ATOM 0 HA ARG A 25 125.937 -9.295 -1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.058 -11.089 -2.981 1.00 0.00 H new ATOM 0 HB3 ARG A 25 125.733 -12.317 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.204 -11.827 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 25 123.841 -10.230 -0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 25 121.975 -11.861 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.616 -11.188 -2.692 1.00 0.00 H new ATOM 0 HE ARG A 25 123.678 -13.857 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 25 120.990 -12.790 -3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 25 121.387 -13.596 -4.933 1.00 0.00 H new ATOM 0 HH21 ARG A 25 124.623 -14.453 -3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 25 123.424 -14.529 -5.221 1.00 0.00 H new ATOM 398 N LYS A 26 127.411 -11.595 0.327 1.00 0.00 N ATOM 399 CA LYS A 26 127.736 -11.921 1.745 1.00 0.00 C ATOM 400 C LYS A 26 128.459 -10.746 2.412 1.00 0.00 C ATOM 401 O LYS A 26 128.103 -10.313 3.489 1.00 0.00 O ATOM 402 CB LYS A 26 128.635 -13.157 1.776 1.00 0.00 C ATOM 403 CG LYS A 26 128.790 -13.645 3.216 1.00 0.00 C ATOM 404 CD LYS A 26 129.664 -14.899 3.234 1.00 0.00 C ATOM 405 CE LYS A 26 129.732 -15.449 4.659 1.00 0.00 C ATOM 406 NZ LYS A 26 130.406 -14.454 5.540 1.00 0.00 N ATOM 0 H LYS A 26 127.827 -12.216 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 26 126.812 -12.115 2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.206 -13.946 1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.612 -12.919 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.241 -12.865 3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 26 127.812 -13.863 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 26 129.253 -15.652 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 26 130.666 -14.663 2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 26 128.728 -15.658 5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 26 130.279 -16.392 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 130.712 -14.919 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 131.234 -14.061 5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 129.742 -13.686 5.768 1.00 0.00 H new ATOM 420 N GLU A 27 129.481 -10.237 1.782 1.00 0.00 N ATOM 421 CA GLU A 27 130.240 -9.101 2.378 1.00 0.00 C ATOM 422 C GLU A 27 129.322 -7.885 2.529 1.00 0.00 C ATOM 423 O GLU A 27 129.341 -7.203 3.534 1.00 0.00 O ATOM 424 CB GLU A 27 131.419 -8.747 1.464 1.00 0.00 C ATOM 425 CG GLU A 27 132.235 -7.610 2.084 1.00 0.00 C ATOM 426 CD GLU A 27 133.453 -7.316 1.204 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.696 -8.082 0.287 1.00 0.00 O ATOM 428 OE2 GLU A 27 134.124 -6.331 1.466 1.00 0.00 O ATOM 0 H GLU A 27 129.825 -10.559 0.877 1.00 0.00 H new ATOM 0 HA GLU A 27 130.612 -9.389 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 27 132.052 -9.622 1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 27 131.052 -8.450 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 27 131.618 -6.716 2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 27 132.557 -7.885 3.088 1.00 0.00 H new ATOM 435 N PHE A 28 128.532 -7.601 1.532 1.00 0.00 N ATOM 436 CA PHE A 28 127.626 -6.421 1.610 1.00 0.00 C ATOM 437 C PHE A 28 126.655 -6.547 2.792 1.00 0.00 C ATOM 438 O PHE A 28 126.491 -5.626 3.568 1.00 0.00 O ATOM 439 CB PHE A 28 126.820 -6.312 0.310 1.00 0.00 C ATOM 440 CG PHE A 28 125.775 -5.237 0.475 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.533 -5.567 1.025 1.00 0.00 C ATOM 442 CD2 PHE A 28 126.054 -3.915 0.118 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.566 -4.581 1.212 1.00 0.00 C ATOM 444 CE2 PHE A 28 125.086 -2.922 0.310 1.00 0.00 C ATOM 445 CZ PHE A 28 123.842 -3.257 0.858 1.00 0.00 C ATOM 0 H PHE A 28 128.474 -8.136 0.665 1.00 0.00 H new ATOM 0 HA PHE A 28 128.237 -5.530 1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.480 -6.072 -0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.347 -7.266 0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.322 -6.588 1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 28 127.014 -3.660 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.604 -4.839 1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 28 125.299 -1.899 0.036 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.095 -2.492 1.007 1.00 0.00 H new ATOM 455 N LEU A 29 125.986 -7.660 2.924 1.00 0.00 N ATOM 456 CA LEU A 29 125.009 -7.800 4.040 1.00 0.00 C ATOM 457 C LEU A 29 125.734 -7.636 5.373 1.00 0.00 C ATOM 458 O LEU A 29 125.284 -6.936 6.257 1.00 0.00 O ATOM 459 CB LEU A 29 124.356 -9.189 3.982 1.00 0.00 C ATOM 460 CG LEU A 29 123.487 -9.324 2.714 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.342 -10.808 2.350 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.084 -8.723 2.952 1.00 0.00 C ATOM 0 H LEU A 29 126.073 -8.472 2.313 1.00 0.00 H new ATOM 0 HA LEU A 29 124.240 -7.034 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.126 -9.960 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.743 -9.347 4.869 1.00 0.00 H new ATOM 0 HG LEU A 29 123.971 -8.784 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.728 -10.905 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.327 -11.235 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.867 -11.340 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.485 -8.827 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.597 -9.250 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.179 -7.667 3.205 1.00 0.00 H new ATOM 474 N ASP A 30 126.858 -8.269 5.525 1.00 0.00 N ATOM 475 CA ASP A 30 127.602 -8.153 6.806 1.00 0.00 C ATOM 476 C ASP A 30 127.957 -6.688 7.056 1.00 0.00 C ATOM 477 O ASP A 30 127.889 -6.205 8.168 1.00 0.00 O ATOM 478 CB ASP A 30 128.886 -8.976 6.714 1.00 0.00 C ATOM 479 CG ASP A 30 128.540 -10.466 6.704 1.00 0.00 C ATOM 480 OD1 ASP A 30 127.502 -10.818 7.240 1.00 0.00 O ATOM 481 OD2 ASP A 30 129.316 -11.230 6.152 1.00 0.00 O ATOM 0 H ASP A 30 127.295 -8.862 4.819 1.00 0.00 H new ATOM 0 HA ASP A 30 126.985 -8.522 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 30 129.434 -8.713 5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.537 -8.749 7.558 1.00 0.00 H new ATOM 486 N ASP A 31 128.343 -5.974 6.033 1.00 0.00 N ATOM 487 CA ASP A 31 128.708 -4.544 6.228 1.00 0.00 C ATOM 488 C ASP A 31 127.449 -3.705 6.483 1.00 0.00 C ATOM 489 O ASP A 31 127.384 -2.949 7.432 1.00 0.00 O ATOM 490 CB ASP A 31 129.428 -4.029 4.982 1.00 0.00 C ATOM 491 CG ASP A 31 130.809 -4.678 4.891 1.00 0.00 C ATOM 492 OD1 ASP A 31 131.239 -5.249 5.880 1.00 0.00 O ATOM 493 OD2 ASP A 31 131.416 -4.593 3.836 1.00 0.00 O ATOM 0 H ASP A 31 128.421 -6.318 5.076 1.00 0.00 H new ATOM 0 HA ASP A 31 129.367 -4.459 7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 31 128.846 -4.260 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 31 129.526 -2.944 5.027 1.00 0.00 H new ATOM 498 N LEU A 32 126.444 -3.829 5.653 1.00 0.00 N ATOM 499 CA LEU A 32 125.204 -3.029 5.881 1.00 0.00 C ATOM 500 C LEU A 32 124.614 -3.379 7.242 1.00 0.00 C ATOM 501 O LEU A 32 124.313 -2.509 8.030 1.00 0.00 O ATOM 502 CB LEU A 32 124.181 -3.302 4.765 1.00 0.00 C ATOM 503 CG LEU A 32 122.822 -2.680 5.125 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.995 -1.192 5.454 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.874 -2.829 3.937 1.00 0.00 C ATOM 0 H LEU A 32 126.428 -4.442 4.838 1.00 0.00 H new ATOM 0 HA LEU A 32 125.453 -1.968 5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.540 -2.888 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 32 124.070 -4.376 4.619 1.00 0.00 H new ATOM 0 HG LEU A 32 122.411 -3.191 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 32 122.027 -0.760 5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.674 -1.083 6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 32 123.408 -0.674 4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.908 -2.390 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 32 122.293 -2.317 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.743 -3.886 3.706 1.00 0.00 H new ATOM 517 N PHE A 33 124.444 -4.635 7.536 1.00 0.00 N ATOM 518 CA PHE A 33 123.865 -4.985 8.859 1.00 0.00 C ATOM 519 C PHE A 33 124.762 -4.421 9.966 1.00 0.00 C ATOM 520 O PHE A 33 124.284 -3.980 10.988 1.00 0.00 O ATOM 521 CB PHE A 33 123.714 -6.511 9.014 1.00 0.00 C ATOM 522 CG PHE A 33 122.460 -6.973 8.287 1.00 0.00 C ATOM 523 CD1 PHE A 33 121.195 -6.495 8.680 1.00 0.00 C ATOM 524 CD2 PHE A 33 122.559 -7.858 7.206 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.048 -6.905 7.991 1.00 0.00 C ATOM 526 CE2 PHE A 33 121.411 -8.260 6.518 1.00 0.00 C ATOM 527 CZ PHE A 33 120.157 -7.784 6.908 1.00 0.00 C ATOM 0 H PHE A 33 124.676 -5.422 6.930 1.00 0.00 H new ATOM 0 HA PHE A 33 122.870 -4.547 8.935 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.590 -7.017 8.608 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.654 -6.776 10.070 1.00 0.00 H new ATOM 0 HD1 PHE A 33 121.110 -5.812 9.513 1.00 0.00 H new ATOM 0 HD2 PHE A 33 123.526 -8.231 6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.077 -6.542 8.296 1.00 0.00 H new ATOM 0 HE2 PHE A 33 121.493 -8.940 5.683 1.00 0.00 H new ATOM 0 HZ PHE A 33 119.271 -8.095 6.373 1.00 0.00 H new ATOM 537 N SER A 34 126.055 -4.432 9.774 1.00 0.00 N ATOM 538 CA SER A 34 126.973 -3.903 10.832 1.00 0.00 C ATOM 539 C SER A 34 126.685 -2.423 11.132 1.00 0.00 C ATOM 540 O SER A 34 126.609 -2.025 12.276 1.00 0.00 O ATOM 541 CB SER A 34 128.418 -4.035 10.357 1.00 0.00 C ATOM 542 OG SER A 34 128.749 -5.410 10.225 1.00 0.00 O ATOM 0 H SER A 34 126.516 -4.783 8.934 1.00 0.00 H new ATOM 0 HA SER A 34 126.812 -4.481 11.742 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.546 -3.526 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 34 129.091 -3.554 11.067 1.00 0.00 H new ATOM 0 HG SER A 34 128.723 -5.663 9.279 1.00 0.00 H new ATOM 548 N PHE A 35 126.532 -1.595 10.134 1.00 0.00 N ATOM 549 CA PHE A 35 126.258 -0.153 10.423 1.00 0.00 C ATOM 550 C PHE A 35 124.962 -0.035 11.224 1.00 0.00 C ATOM 551 O PHE A 35 124.930 0.538 12.295 1.00 0.00 O ATOM 552 CB PHE A 35 126.131 0.615 9.106 1.00 0.00 C ATOM 553 CG PHE A 35 125.804 2.060 9.390 1.00 0.00 C ATOM 554 CD1 PHE A 35 126.834 2.992 9.560 1.00 0.00 C ATOM 555 CD2 PHE A 35 124.468 2.468 9.479 1.00 0.00 C ATOM 556 CE1 PHE A 35 126.527 4.333 9.821 1.00 0.00 C ATOM 557 CE2 PHE A 35 124.161 3.808 9.740 1.00 0.00 C ATOM 558 CZ PHE A 35 125.190 4.741 9.910 1.00 0.00 C ATOM 0 H PHE A 35 126.583 -1.846 9.147 1.00 0.00 H new ATOM 0 HA PHE A 35 127.078 0.269 11.004 1.00 0.00 H new ATOM 0 HB2 PHE A 35 127.062 0.547 8.543 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.351 0.170 8.488 1.00 0.00 H new ATOM 0 HD1 PHE A 35 127.865 2.677 9.490 1.00 0.00 H new ATOM 0 HD2 PHE A 35 123.674 1.748 9.346 1.00 0.00 H new ATOM 0 HE1 PHE A 35 127.321 5.053 9.954 1.00 0.00 H new ATOM 0 HE2 PHE A 35 123.130 4.122 9.810 1.00 0.00 H new ATOM 0 HZ PHE A 35 124.953 5.776 10.110 1.00 0.00 H new ATOM 568 N MET A 36 123.898 -0.589 10.720 1.00 0.00 N ATOM 569 CA MET A 36 122.599 -0.530 11.455 1.00 0.00 C ATOM 570 C MET A 36 122.661 -1.408 12.715 1.00 0.00 C ATOM 571 O MET A 36 121.856 -1.270 13.613 1.00 0.00 O ATOM 572 CB MET A 36 121.483 -1.032 10.541 1.00 0.00 C ATOM 573 CG MET A 36 121.827 -2.433 10.036 1.00 0.00 C ATOM 574 SD MET A 36 120.925 -2.765 8.502 1.00 0.00 S ATOM 575 CE MET A 36 119.286 -3.024 9.219 1.00 0.00 C ATOM 0 H MET A 36 123.868 -1.083 9.828 1.00 0.00 H new ATOM 0 HA MET A 36 122.402 0.500 11.752 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.537 -1.051 11.082 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.355 -0.352 9.699 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.900 -2.515 9.864 1.00 0.00 H new ATOM 0 HG3 MET A 36 121.568 -3.176 10.790 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.706 -3.682 8.572 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.388 -3.480 10.204 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.775 -2.066 9.314 1.00 0.00 H new ATOM 585 N GLN A 37 123.601 -2.315 12.787 1.00 0.00 N ATOM 586 CA GLN A 37 123.688 -3.200 13.993 1.00 0.00 C ATOM 587 C GLN A 37 123.752 -2.338 15.249 1.00 0.00 C ATOM 588 O GLN A 37 123.524 -2.811 16.345 1.00 0.00 O ATOM 589 CB GLN A 37 124.934 -4.097 13.933 1.00 0.00 C ATOM 590 CG GLN A 37 124.991 -4.982 15.183 1.00 0.00 C ATOM 591 CD GLN A 37 126.080 -6.042 15.010 1.00 0.00 C ATOM 592 OE1 GLN A 37 126.560 -6.264 13.915 1.00 0.00 O ATOM 593 NE2 GLN A 37 126.505 -6.703 16.052 1.00 0.00 N ATOM 0 H GLN A 37 124.308 -2.482 12.071 1.00 0.00 H new ATOM 0 HA GLN A 37 122.804 -3.837 14.015 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.905 -4.717 13.037 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.833 -3.484 13.868 1.00 0.00 H new ATOM 0 HG2 GLN A 37 125.198 -4.373 16.063 1.00 0.00 H new ATOM 0 HG3 GLN A 37 124.026 -5.461 15.347 1.00 0.00 H new ATOM 0 HE21 GLN A 37 126.104 -6.518 16.971 1.00 0.00 H new ATOM 0 HE22 GLN A 37 127.238 -7.404 15.947 1.00 0.00 H new ATOM 602 N LYS A 38 124.039 -1.074 15.114 1.00 0.00 N ATOM 603 CA LYS A 38 124.087 -0.219 16.326 1.00 0.00 C ATOM 604 C LYS A 38 122.744 -0.349 17.045 1.00 0.00 C ATOM 605 O LYS A 38 122.688 -0.473 18.252 1.00 0.00 O ATOM 606 CB LYS A 38 124.361 1.236 15.932 1.00 0.00 C ATOM 607 CG LYS A 38 125.838 1.384 15.560 1.00 0.00 C ATOM 608 CD LYS A 38 126.130 2.835 15.177 1.00 0.00 C ATOM 609 CE LYS A 38 127.626 2.995 14.909 1.00 0.00 C ATOM 610 NZ LYS A 38 128.383 2.728 16.165 1.00 0.00 N ATOM 0 H LYS A 38 124.239 -0.604 14.231 1.00 0.00 H new ATOM 0 HA LYS A 38 124.892 -0.536 16.989 1.00 0.00 H new ATOM 0 HB2 LYS A 38 123.731 1.523 15.090 1.00 0.00 H new ATOM 0 HB3 LYS A 38 124.113 1.902 16.758 1.00 0.00 H new ATOM 0 HG2 LYS A 38 126.466 1.086 16.400 1.00 0.00 H new ATOM 0 HG3 LYS A 38 126.082 0.722 14.729 1.00 0.00 H new ATOM 0 HD2 LYS A 38 125.558 3.111 14.291 1.00 0.00 H new ATOM 0 HD3 LYS A 38 125.819 3.505 15.979 1.00 0.00 H new ATOM 0 HE2 LYS A 38 127.943 2.305 14.126 1.00 0.00 H new ATOM 0 HE3 LYS A 38 127.837 4.003 14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 129.305 3.208 16.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 127.843 3.086 16.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 128.530 1.704 16.271 1.00 0.00 H new ATOM 624 N ARG A 39 121.665 -0.388 16.312 1.00 0.00 N ATOM 625 CA ARG A 39 120.346 -0.588 16.966 1.00 0.00 C ATOM 626 C ARG A 39 120.348 -2.021 17.505 1.00 0.00 C ATOM 627 O ARG A 39 119.898 -2.294 18.600 1.00 0.00 O ATOM 628 CB ARG A 39 119.218 -0.398 15.945 1.00 0.00 C ATOM 629 CG ARG A 39 119.273 1.023 15.363 1.00 0.00 C ATOM 630 CD ARG A 39 118.648 2.028 16.338 1.00 0.00 C ATOM 631 NE ARG A 39 118.568 3.365 15.679 1.00 0.00 N ATOM 632 CZ ARG A 39 118.511 4.451 16.401 1.00 0.00 C ATOM 633 NH1 ARG A 39 118.390 4.370 17.698 1.00 0.00 N ATOM 634 NH2 ARG A 39 118.576 5.621 15.823 1.00 0.00 N ATOM 0 H ARG A 39 121.641 -0.291 15.297 1.00 0.00 H new ATOM 0 HA ARG A 39 120.183 0.132 17.768 1.00 0.00 H new ATOM 0 HB2 ARG A 39 119.313 -1.132 15.145 1.00 0.00 H new ATOM 0 HB3 ARG A 39 118.252 -0.568 16.421 1.00 0.00 H new ATOM 0 HG2 ARG A 39 120.308 1.299 15.160 1.00 0.00 H new ATOM 0 HG3 ARG A 39 118.743 1.053 14.411 1.00 0.00 H new ATOM 0 HD2 ARG A 39 117.653 1.695 16.634 1.00 0.00 H new ATOM 0 HD3 ARG A 39 119.247 2.092 17.247 1.00 0.00 H new ATOM 0 HE ARG A 39 118.558 3.430 14.661 1.00 0.00 H new ATOM 0 HH11 ARG A 39 118.340 3.457 18.149 1.00 0.00 H new ATOM 0 HH12 ARG A 39 118.346 5.220 18.260 1.00 0.00 H new ATOM 0 HH21 ARG A 39 118.671 5.685 14.809 1.00 0.00 H new ATOM 0 HH22 ARG A 39 118.532 6.471 16.385 1.00 0.00 H new ATOM 648 N GLY A 40 120.910 -2.931 16.740 1.00 0.00 N ATOM 649 CA GLY A 40 121.026 -4.359 17.179 1.00 0.00 C ATOM 650 C GLY A 40 120.079 -5.277 16.397 1.00 0.00 C ATOM 651 O GLY A 40 120.238 -6.482 16.426 1.00 0.00 O ATOM 0 H GLY A 40 121.298 -2.740 15.816 1.00 0.00 H new ATOM 0 HA2 GLY A 40 122.053 -4.698 17.044 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.804 -4.431 18.244 1.00 0.00 H new ATOM 655 N THR A 41 119.101 -4.741 15.698 1.00 0.00 N ATOM 656 CA THR A 41 118.153 -5.617 14.917 1.00 0.00 C ATOM 657 C THR A 41 118.321 -5.370 13.404 1.00 0.00 C ATOM 658 O THR A 41 118.706 -4.292 12.995 1.00 0.00 O ATOM 659 CB THR A 41 116.708 -5.301 15.346 1.00 0.00 C ATOM 660 OG1 THR A 41 116.602 -3.917 15.647 1.00 0.00 O ATOM 661 CG2 THR A 41 116.342 -6.122 16.587 1.00 0.00 C ATOM 0 H THR A 41 118.916 -3.740 15.633 1.00 0.00 H new ATOM 0 HA THR A 41 118.375 -6.664 15.122 1.00 0.00 H new ATOM 0 HB THR A 41 116.026 -5.556 14.535 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.683 -3.711 15.919 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.319 -5.894 16.885 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.425 -7.184 16.358 1.00 0.00 H new ATOM 0 HG23 THR A 41 117.022 -5.872 17.402 1.00 0.00 H new ATOM 669 N PRO A 42 118.016 -6.352 12.567 1.00 0.00 N ATOM 670 CA PRO A 42 118.138 -6.165 11.092 1.00 0.00 C ATOM 671 C PRO A 42 117.310 -4.968 10.591 1.00 0.00 C ATOM 672 O PRO A 42 117.067 -4.019 11.311 1.00 0.00 O ATOM 673 CB PRO A 42 117.593 -7.501 10.528 1.00 0.00 C ATOM 674 CG PRO A 42 117.164 -8.397 11.706 1.00 0.00 C ATOM 675 CD PRO A 42 117.550 -7.697 13.021 1.00 0.00 C ATOM 0 HA PRO A 42 119.158 -5.944 10.778 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.746 -7.315 9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 42 118.358 -8.000 9.933 1.00 0.00 H new ATOM 0 HG2 PRO A 42 116.089 -8.575 11.674 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.651 -9.370 11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.701 -7.621 13.701 1.00 0.00 H new ATOM 0 HD3 PRO A 42 118.335 -8.238 13.550 1.00 0.00 H new ATOM 683 N ILE A 43 116.880 -5.014 9.361 1.00 0.00 N ATOM 684 CA ILE A 43 116.072 -3.898 8.799 1.00 0.00 C ATOM 685 C ILE A 43 114.715 -3.852 9.522 1.00 0.00 C ATOM 686 O ILE A 43 114.589 -4.327 10.633 1.00 0.00 O ATOM 687 CB ILE A 43 115.929 -4.127 7.272 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.806 -2.771 6.535 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.709 -5.019 6.953 1.00 0.00 C ATOM 690 CD1 ILE A 43 117.202 -2.167 6.293 1.00 0.00 C ATOM 0 H ILE A 43 117.056 -5.784 8.716 1.00 0.00 H new ATOM 0 HA ILE A 43 116.552 -2.932 8.952 1.00 0.00 H new ATOM 0 HB ILE A 43 116.825 -4.641 6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.293 -2.911 5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 43 115.201 -2.082 7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.635 -5.162 5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.829 -5.987 7.440 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.801 -4.539 7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 43 117.101 -1.214 5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.701 -2.009 7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.794 -2.851 5.684 1.00 0.00 H new ATOM 702 N ASN A 44 113.705 -3.276 8.925 1.00 0.00 N ATOM 703 CA ASN A 44 112.384 -3.203 9.621 1.00 0.00 C ATOM 704 C ASN A 44 111.609 -4.512 9.435 1.00 0.00 C ATOM 705 O ASN A 44 111.123 -5.086 10.389 1.00 0.00 O ATOM 706 CB ASN A 44 111.569 -2.039 9.049 1.00 0.00 C ATOM 707 CG ASN A 44 111.177 -2.345 7.602 1.00 0.00 C ATOM 708 OD1 ASN A 44 112.027 -2.584 6.768 1.00 0.00 O ATOM 709 ND2 ASN A 44 109.917 -2.349 7.270 1.00 0.00 N ATOM 0 H ASN A 44 113.735 -2.857 7.996 1.00 0.00 H new ATOM 0 HA ASN A 44 112.555 -3.044 10.686 1.00 0.00 H new ATOM 0 HB2 ASN A 44 110.675 -1.878 9.652 1.00 0.00 H new ATOM 0 HB3 ASN A 44 112.152 -1.119 9.091 1.00 0.00 H new ATOM 0 HD21 ASN A 44 109.644 -2.553 6.309 1.00 0.00 H new ATOM 0 HD22 ASN A 44 109.204 -2.148 7.971 1.00 0.00 H new ATOM 716 N ARG A 45 111.482 -4.997 8.225 1.00 0.00 N ATOM 717 CA ARG A 45 110.730 -6.276 8.013 1.00 0.00 C ATOM 718 C ARG A 45 111.329 -7.046 6.834 1.00 0.00 C ATOM 719 O ARG A 45 111.992 -6.487 5.982 1.00 0.00 O ATOM 720 CB ARG A 45 109.258 -5.972 7.718 1.00 0.00 C ATOM 721 CG ARG A 45 108.585 -5.421 8.978 1.00 0.00 C ATOM 722 CD ARG A 45 107.090 -5.230 8.723 1.00 0.00 C ATOM 723 NE ARG A 45 106.465 -4.586 9.913 1.00 0.00 N ATOM 724 CZ ARG A 45 105.174 -4.398 9.954 1.00 0.00 C ATOM 725 NH1 ARG A 45 104.363 -5.353 9.589 1.00 0.00 N ATOM 726 NH2 ARG A 45 104.695 -3.255 10.361 1.00 0.00 N ATOM 0 H ARG A 45 111.862 -4.569 7.381 1.00 0.00 H new ATOM 0 HA ARG A 45 110.805 -6.880 8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 45 109.181 -5.248 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.748 -6.877 7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.737 -6.106 9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 45 109.040 -4.471 9.259 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.936 -4.612 7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.617 -6.192 8.526 1.00 0.00 H new ATOM 0 HE ARG A 45 107.047 -4.292 10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 45 104.738 -6.247 9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 45 103.354 -5.206 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 45 105.329 -2.509 10.647 1.00 0.00 H new ATOM 0 HH22 ARG A 45 103.686 -3.107 10.393 1.00 0.00 H new ATOM 740 N LEU A 46 111.092 -8.334 6.783 1.00 0.00 N ATOM 741 CA LEU A 46 111.628 -9.174 5.667 1.00 0.00 C ATOM 742 C LEU A 46 110.520 -10.106 5.158 1.00 0.00 C ATOM 743 O LEU A 46 110.543 -11.292 5.423 1.00 0.00 O ATOM 744 CB LEU A 46 112.793 -10.022 6.188 1.00 0.00 C ATOM 745 CG LEU A 46 113.968 -9.116 6.586 1.00 0.00 C ATOM 746 CD1 LEU A 46 115.010 -9.949 7.340 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.617 -8.491 5.335 1.00 0.00 C ATOM 0 H LEU A 46 110.544 -8.845 7.475 1.00 0.00 H new ATOM 0 HA LEU A 46 111.972 -8.531 4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.470 -10.610 7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 46 113.111 -10.728 5.421 1.00 0.00 H new ATOM 0 HG LEU A 46 113.597 -8.313 7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.847 -9.312 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.557 -10.376 8.235 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.368 -10.753 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 46 115.447 -7.852 5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.986 -9.282 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.877 -7.896 4.800 1.00 0.00 H new ATOM 759 N PRO A 47 109.551 -9.588 4.438 1.00 0.00 N ATOM 760 CA PRO A 47 108.445 -10.443 3.923 1.00 0.00 C ATOM 761 C PRO A 47 108.955 -11.542 2.978 1.00 0.00 C ATOM 762 O PRO A 47 110.071 -11.493 2.500 1.00 0.00 O ATOM 763 CB PRO A 47 107.534 -9.431 3.197 1.00 0.00 C ATOM 764 CG PRO A 47 108.151 -8.021 3.336 1.00 0.00 C ATOM 765 CD PRO A 47 109.491 -8.139 4.090 1.00 0.00 C ATOM 0 HA PRO A 47 107.929 -10.991 4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 47 107.435 -9.698 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.532 -9.449 3.626 1.00 0.00 H new ATOM 0 HG2 PRO A 47 108.309 -7.579 2.352 1.00 0.00 H new ATOM 0 HG3 PRO A 47 107.471 -7.362 3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 47 110.333 -7.838 3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 47 109.511 -7.509 4.979 1.00 0.00 H new ATOM 773 N ILE A 48 108.137 -12.531 2.713 1.00 0.00 N ATOM 774 CA ILE A 48 108.546 -13.645 1.807 1.00 0.00 C ATOM 775 C ILE A 48 107.646 -13.634 0.578 1.00 0.00 C ATOM 776 O ILE A 48 106.435 -13.655 0.680 1.00 0.00 O ATOM 777 CB ILE A 48 108.362 -14.983 2.527 1.00 0.00 C ATOM 778 CG1 ILE A 48 109.125 -14.981 3.860 1.00 0.00 C ATOM 779 CG2 ILE A 48 108.882 -16.118 1.641 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.589 -14.581 3.644 1.00 0.00 C ATOM 0 H ILE A 48 107.193 -12.613 3.091 1.00 0.00 H new ATOM 0 HA ILE A 48 109.590 -13.517 1.520 1.00 0.00 H new ATOM 0 HB ILE A 48 107.301 -15.132 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.652 -14.287 4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 48 109.076 -15.971 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.750 -17.070 2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.326 -16.132 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 48 109.940 -15.961 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 48 111.112 -14.586 4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 48 111.064 -15.291 2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.633 -13.582 3.211 1.00 0.00 H new ATOM 792 N MET A 49 108.226 -13.617 -0.582 1.00 0.00 N ATOM 793 CA MET A 49 107.410 -13.624 -1.831 1.00 0.00 C ATOM 794 C MET A 49 107.188 -15.069 -2.259 1.00 0.00 C ATOM 795 O MET A 49 108.049 -15.683 -2.855 1.00 0.00 O ATOM 796 CB MET A 49 108.150 -12.865 -2.943 1.00 0.00 C ATOM 797 CG MET A 49 107.912 -11.366 -2.789 1.00 0.00 C ATOM 798 SD MET A 49 108.786 -10.480 -4.104 1.00 0.00 S ATOM 799 CE MET A 49 108.137 -8.831 -3.742 1.00 0.00 C ATOM 0 H MET A 49 109.236 -13.598 -0.726 1.00 0.00 H new ATOM 0 HA MET A 49 106.452 -13.136 -1.649 1.00 0.00 H new ATOM 0 HB2 MET A 49 109.217 -13.080 -2.895 1.00 0.00 H new ATOM 0 HB3 MET A 49 107.801 -13.200 -3.920 1.00 0.00 H new ATOM 0 HG2 MET A 49 106.845 -11.149 -2.837 1.00 0.00 H new ATOM 0 HG3 MET A 49 108.263 -11.029 -1.813 1.00 0.00 H new ATOM 0 HE1 MET A 49 108.633 -8.097 -4.377 1.00 0.00 H new ATOM 0 HE2 MET A 49 107.064 -8.812 -3.935 1.00 0.00 H new ATOM 0 HE3 MET A 49 108.322 -8.589 -2.695 1.00 0.00 H new ATOM 809 N ALA A 50 106.034 -15.607 -1.965 1.00 0.00 N ATOM 810 CA ALA A 50 105.731 -17.016 -2.350 1.00 0.00 C ATOM 811 C ALA A 50 106.958 -17.910 -2.113 1.00 0.00 C ATOM 812 O ALA A 50 107.127 -18.466 -1.046 1.00 0.00 O ATOM 813 CB ALA A 50 105.354 -17.041 -3.830 1.00 0.00 C ATOM 0 H ALA A 50 105.282 -15.126 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 50 104.908 -17.394 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 50 105.129 -18.064 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 50 104.478 -16.414 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 50 106.186 -16.663 -4.424 1.00 0.00 H new ATOM 819 N LYS A 51 107.812 -18.048 -3.099 1.00 0.00 N ATOM 820 CA LYS A 51 109.034 -18.903 -2.940 1.00 0.00 C ATOM 821 C LYS A 51 110.282 -18.015 -2.834 1.00 0.00 C ATOM 822 O LYS A 51 111.306 -18.433 -2.329 1.00 0.00 O ATOM 823 CB LYS A 51 109.166 -19.828 -4.157 1.00 0.00 C ATOM 824 CG LYS A 51 110.386 -20.741 -3.984 1.00 0.00 C ATOM 825 CD LYS A 51 110.512 -21.675 -5.186 1.00 0.00 C ATOM 826 CE LYS A 51 111.733 -22.577 -4.994 1.00 0.00 C ATOM 827 NZ LYS A 51 111.774 -23.601 -6.075 1.00 0.00 N ATOM 0 H LYS A 51 107.716 -17.603 -4.012 1.00 0.00 H new ATOM 0 HA LYS A 51 108.942 -19.499 -2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 51 108.263 -20.429 -4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 51 109.269 -19.236 -5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 51 111.290 -20.140 -3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 51 110.288 -21.324 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 51 109.611 -22.279 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 51 110.613 -21.095 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 51 112.645 -21.980 -5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 51 111.688 -23.064 -4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 112.605 -24.213 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 110.910 -24.178 -6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 111.837 -23.128 -6.999 1.00 0.00 H new ATOM 841 N SER A 52 110.216 -16.801 -3.317 1.00 0.00 N ATOM 842 CA SER A 52 111.414 -15.902 -3.260 1.00 0.00 C ATOM 843 C SER A 52 111.352 -15.000 -2.024 1.00 0.00 C ATOM 844 O SER A 52 110.294 -14.704 -1.506 1.00 0.00 O ATOM 845 CB SER A 52 111.450 -15.034 -4.517 1.00 0.00 C ATOM 846 OG SER A 52 111.814 -15.839 -5.633 1.00 0.00 O ATOM 0 H SER A 52 109.387 -16.391 -3.748 1.00 0.00 H new ATOM 0 HA SER A 52 112.313 -16.516 -3.201 1.00 0.00 H new ATOM 0 HB2 SER A 52 110.475 -14.577 -4.686 1.00 0.00 H new ATOM 0 HB3 SER A 52 112.165 -14.221 -4.391 1.00 0.00 H new ATOM 0 HG SER A 52 111.837 -15.286 -6.442 1.00 0.00 H new ATOM 852 N VAL A 53 112.495 -14.563 -1.554 1.00 0.00 N ATOM 853 CA VAL A 53 112.551 -13.675 -0.348 1.00 0.00 C ATOM 854 C VAL A 53 112.869 -12.249 -0.802 1.00 0.00 C ATOM 855 O VAL A 53 113.656 -12.037 -1.701 1.00 0.00 O ATOM 856 CB VAL A 53 113.660 -14.160 0.600 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.595 -13.351 1.908 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.502 -15.678 0.899 1.00 0.00 C ATOM 0 H VAL A 53 113.404 -14.786 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 53 111.594 -13.701 0.172 1.00 0.00 H new ATOM 0 HB VAL A 53 114.629 -14.009 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 53 114.379 -13.690 2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 53 113.737 -12.293 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 53 112.622 -13.496 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 53 114.297 -16.001 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 53 112.534 -15.858 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 53 113.564 -16.241 -0.032 1.00 0.00 H new ATOM 868 N LEU A 54 112.255 -11.271 -0.197 1.00 0.00 N ATOM 869 CA LEU A 54 112.516 -9.864 -0.609 1.00 0.00 C ATOM 870 C LEU A 54 113.998 -9.536 -0.390 1.00 0.00 C ATOM 871 O LEU A 54 114.420 -9.204 0.701 1.00 0.00 O ATOM 872 CB LEU A 54 111.648 -8.934 0.243 1.00 0.00 C ATOM 873 CG LEU A 54 111.793 -7.484 -0.232 1.00 0.00 C ATOM 874 CD1 LEU A 54 111.259 -7.337 -1.672 1.00 0.00 C ATOM 875 CD2 LEU A 54 110.999 -6.573 0.713 1.00 0.00 C ATOM 0 H LEU A 54 111.585 -11.385 0.564 1.00 0.00 H new ATOM 0 HA LEU A 54 112.274 -9.731 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.604 -9.241 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.940 -9.011 1.290 1.00 0.00 H new ATOM 0 HG LEU A 54 112.846 -7.202 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.368 -6.302 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.825 -7.988 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 54 110.206 -7.617 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.094 -5.538 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.948 -6.863 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.390 -6.671 1.726 1.00 0.00 H new ATOM 887 N ASP A 55 114.791 -9.633 -1.425 1.00 0.00 N ATOM 888 CA ASP A 55 116.249 -9.335 -1.296 1.00 0.00 C ATOM 889 C ASP A 55 116.469 -7.829 -1.113 1.00 0.00 C ATOM 890 O ASP A 55 116.166 -7.039 -1.986 1.00 0.00 O ATOM 891 CB ASP A 55 116.970 -9.788 -2.567 1.00 0.00 C ATOM 892 CG ASP A 55 118.483 -9.718 -2.350 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.890 -9.250 -1.298 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.209 -10.125 -3.241 1.00 0.00 O ATOM 0 H ASP A 55 114.490 -9.908 -2.360 1.00 0.00 H new ATOM 0 HA ASP A 55 116.642 -9.865 -0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.675 -10.806 -2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.683 -9.154 -3.406 1.00 0.00 H new ATOM 899 N LEU A 56 117.015 -7.423 0.001 1.00 0.00 N ATOM 900 CA LEU A 56 117.278 -5.969 0.217 1.00 0.00 C ATOM 901 C LEU A 56 118.228 -5.463 -0.876 1.00 0.00 C ATOM 902 O LEU A 56 118.181 -4.317 -1.276 1.00 0.00 O ATOM 903 CB LEU A 56 117.938 -5.746 1.584 1.00 0.00 C ATOM 904 CG LEU A 56 116.947 -6.034 2.724 1.00 0.00 C ATOM 905 CD1 LEU A 56 117.688 -5.923 4.062 1.00 0.00 C ATOM 906 CD2 LEU A 56 115.783 -5.022 2.693 1.00 0.00 C ATOM 0 H LEU A 56 117.290 -8.033 0.771 1.00 0.00 H new ATOM 0 HA LEU A 56 116.332 -5.429 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 56 118.809 -6.393 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 56 118.294 -4.719 1.657 1.00 0.00 H new ATOM 0 HG LEU A 56 116.538 -7.037 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 56 116.996 -6.125 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 56 118.502 -6.648 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 56 118.094 -4.917 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 56 115.090 -5.239 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 56 116.176 -4.012 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 56 115.259 -5.099 1.740 1.00 0.00 H new ATOM 918 N TYR A 57 119.116 -6.307 -1.327 1.00 0.00 N ATOM 919 CA TYR A 57 120.110 -5.889 -2.360 1.00 0.00 C ATOM 920 C TYR A 57 119.399 -5.422 -3.644 1.00 0.00 C ATOM 921 O TYR A 57 119.797 -4.455 -4.262 1.00 0.00 O ATOM 922 CB TYR A 57 121.020 -7.100 -2.674 1.00 0.00 C ATOM 923 CG TYR A 57 122.414 -6.641 -3.073 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.592 -5.803 -4.180 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.530 -7.055 -2.330 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.873 -5.377 -4.542 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.812 -6.630 -2.693 1.00 0.00 C ATOM 928 CZ TYR A 57 124.983 -5.789 -3.798 1.00 0.00 C ATOM 929 OH TYR A 57 126.247 -5.367 -4.157 1.00 0.00 O ATOM 0 H TYR A 57 119.197 -7.277 -1.022 1.00 0.00 H new ATOM 0 HA TYR A 57 120.702 -5.055 -1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 57 121.082 -7.749 -1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.582 -7.690 -3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.736 -5.484 -4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.399 -7.703 -1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 57 124.006 -4.730 -5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.670 -6.951 -2.121 1.00 0.00 H new ATOM 0 HH TYR A 57 126.906 -5.743 -3.536 1.00 0.00 H new ATOM 939 N GLU A 58 118.365 -6.097 -4.064 1.00 0.00 N ATOM 940 CA GLU A 58 117.683 -5.679 -5.326 1.00 0.00 C ATOM 941 C GLU A 58 117.157 -4.245 -5.200 1.00 0.00 C ATOM 942 O GLU A 58 117.268 -3.458 -6.118 1.00 0.00 O ATOM 943 CB GLU A 58 116.516 -6.628 -5.617 1.00 0.00 C ATOM 944 CG GLU A 58 115.831 -6.214 -6.922 1.00 0.00 C ATOM 945 CD GLU A 58 114.779 -7.257 -7.304 1.00 0.00 C ATOM 946 OE1 GLU A 58 114.582 -8.182 -6.533 1.00 0.00 O ATOM 947 OE2 GLU A 58 114.194 -7.118 -8.366 1.00 0.00 O ATOM 0 H GLU A 58 117.965 -6.910 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 58 118.403 -5.719 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 58 116.878 -7.653 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.800 -6.604 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 58 115.363 -5.237 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 58 116.570 -6.120 -7.718 1.00 0.00 H new ATOM 954 N LEU A 59 116.591 -3.892 -4.080 1.00 0.00 N ATOM 955 CA LEU A 59 116.072 -2.502 -3.925 1.00 0.00 C ATOM 956 C LEU A 59 117.217 -1.495 -4.093 1.00 0.00 C ATOM 957 O LEU A 59 117.086 -0.503 -4.783 1.00 0.00 O ATOM 958 CB LEU A 59 115.448 -2.336 -2.529 1.00 0.00 C ATOM 959 CG LEU A 59 114.904 -0.905 -2.346 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.750 -0.643 -3.326 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.406 -0.737 -0.904 1.00 0.00 C ATOM 0 H LEU A 59 116.465 -4.499 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 59 115.315 -2.318 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.642 -3.057 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 59 116.194 -2.548 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 59 115.701 -0.190 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.376 0.371 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 59 114.108 -0.759 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.946 -1.355 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 59 114.020 0.273 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.613 -1.458 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 59 115.231 -0.906 -0.212 1.00 0.00 H new ATOM 973 N TYR A 60 118.323 -1.721 -3.436 1.00 0.00 N ATOM 974 CA TYR A 60 119.456 -0.754 -3.525 1.00 0.00 C ATOM 975 C TYR A 60 119.947 -0.596 -4.973 1.00 0.00 C ATOM 976 O TYR A 60 120.125 0.508 -5.447 1.00 0.00 O ATOM 977 CB TYR A 60 120.615 -1.219 -2.644 1.00 0.00 C ATOM 978 CG TYR A 60 121.614 -0.095 -2.567 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.274 1.072 -1.878 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.856 -0.197 -3.204 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.168 2.136 -1.822 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.759 0.872 -3.142 1.00 0.00 C ATOM 983 CZ TYR A 60 123.411 2.040 -2.451 1.00 0.00 C ATOM 984 OH TYR A 60 124.284 3.102 -2.393 1.00 0.00 O ATOM 0 H TYR A 60 118.491 -2.533 -2.842 1.00 0.00 H new ATOM 0 HA TYR A 60 119.093 0.213 -3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.257 -1.481 -1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 60 121.078 -2.113 -3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.315 1.148 -1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 60 123.117 -1.097 -3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.900 3.038 -1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.722 0.796 -3.626 1.00 0.00 H new ATOM 0 HH TYR A 60 124.070 3.660 -1.616 1.00 0.00 H new ATOM 994 N ASN A 61 120.199 -1.671 -5.677 1.00 0.00 N ATOM 995 CA ASN A 61 120.710 -1.528 -7.076 1.00 0.00 C ATOM 996 C ASN A 61 119.711 -0.751 -7.937 1.00 0.00 C ATOM 997 O ASN A 61 120.091 0.082 -8.734 1.00 0.00 O ATOM 998 CB ASN A 61 120.913 -2.913 -7.693 1.00 0.00 C ATOM 999 CG ASN A 61 122.112 -3.595 -7.039 1.00 0.00 C ATOM 1000 OD1 ASN A 61 122.949 -2.940 -6.452 1.00 0.00 O ATOM 1001 ND2 ASN A 61 122.234 -4.892 -7.127 1.00 0.00 N ATOM 0 H ASN A 61 120.075 -2.629 -5.350 1.00 0.00 H new ATOM 0 HA ASN A 61 121.655 -0.987 -7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 61 120.017 -3.519 -7.554 1.00 0.00 H new ATOM 0 HB3 ASN A 61 121.074 -2.823 -8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 61 123.035 -5.359 -6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 61 121.528 -5.438 -7.621 1.00 0.00 H new ATOM 1008 N LEU A 62 118.443 -1.004 -7.787 1.00 0.00 N ATOM 1009 CA LEU A 62 117.443 -0.263 -8.605 1.00 0.00 C ATOM 1010 C LEU A 62 117.567 1.233 -8.310 1.00 0.00 C ATOM 1011 O LEU A 62 117.466 2.062 -9.189 1.00 0.00 O ATOM 1012 CB LEU A 62 116.033 -0.744 -8.250 1.00 0.00 C ATOM 1013 CG LEU A 62 115.831 -2.192 -8.730 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.543 -2.747 -8.118 1.00 0.00 C ATOM 1015 CD2 LEU A 62 115.727 -2.245 -10.268 1.00 0.00 C ATOM 0 H LEU A 62 118.056 -1.688 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 62 117.626 -0.444 -9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.881 -0.686 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.291 -0.093 -8.712 1.00 0.00 H new ATOM 0 HG LEU A 62 116.686 -2.790 -8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.393 -3.773 -8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.619 -2.729 -7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.698 -2.135 -8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 62 115.584 -3.277 -10.588 1.00 0.00 H new ATOM 0 HD22 LEU A 62 114.880 -1.643 -10.596 1.00 0.00 H new ATOM 0 HD23 LEU A 62 116.643 -1.852 -10.708 1.00 0.00 H new ATOM 1027 N VAL A 63 117.772 1.580 -7.073 1.00 0.00 N ATOM 1028 CA VAL A 63 117.889 3.018 -6.703 1.00 0.00 C ATOM 1029 C VAL A 63 119.162 3.629 -7.318 1.00 0.00 C ATOM 1030 O VAL A 63 119.094 4.550 -8.108 1.00 0.00 O ATOM 1031 CB VAL A 63 117.928 3.108 -5.171 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.456 4.473 -4.725 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.510 2.892 -4.608 1.00 0.00 C ATOM 0 H VAL A 63 117.864 0.926 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 63 117.038 3.579 -7.088 1.00 0.00 H new ATOM 0 HB VAL A 63 118.597 2.336 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.476 4.517 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.464 4.617 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.804 5.258 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.537 2.956 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.842 3.659 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.147 1.908 -4.905 1.00 0.00 H new ATOM 1043 N ILE A 64 120.321 3.134 -6.966 1.00 0.00 N ATOM 1044 CA ILE A 64 121.576 3.707 -7.538 1.00 0.00 C ATOM 1045 C ILE A 64 121.583 3.535 -9.061 1.00 0.00 C ATOM 1046 O ILE A 64 122.003 4.409 -9.792 1.00 0.00 O ATOM 1047 CB ILE A 64 122.789 2.977 -6.950 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.828 3.153 -5.422 1.00 0.00 C ATOM 1049 CG2 ILE A 64 124.077 3.524 -7.570 1.00 0.00 C ATOM 1050 CD1 ILE A 64 122.854 4.640 -5.035 1.00 0.00 C ATOM 0 H ILE A 64 120.452 2.363 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 64 121.625 4.767 -7.290 1.00 0.00 H new ATOM 0 HB ILE A 64 122.704 1.915 -7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 64 121.957 2.673 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.709 2.654 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.935 3.001 -7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 64 124.055 3.372 -8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 64 124.160 4.589 -7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 64 122.881 4.733 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.739 5.112 -5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 64 121.960 5.132 -5.419 1.00 0.00 H new ATOM 1062 N ALA A 65 121.135 2.409 -9.542 1.00 0.00 N ATOM 1063 CA ALA A 65 121.128 2.174 -11.015 1.00 0.00 C ATOM 1064 C ALA A 65 120.390 3.309 -11.730 1.00 0.00 C ATOM 1065 O ALA A 65 120.554 3.511 -12.917 1.00 0.00 O ATOM 1066 CB ALA A 65 120.428 0.846 -11.315 1.00 0.00 C ATOM 0 H ALA A 65 120.773 1.640 -8.979 1.00 0.00 H new ATOM 0 HA ALA A 65 122.157 2.139 -11.372 1.00 0.00 H new ATOM 0 HB1 ALA A 65 120.422 0.673 -12.391 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.960 0.034 -10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 65 119.402 0.884 -10.948 1.00 0.00 H new ATOM 1072 N ARG A 66 119.567 4.045 -11.026 1.00 0.00 N ATOM 1073 CA ARG A 66 118.805 5.157 -11.676 1.00 0.00 C ATOM 1074 C ARG A 66 119.514 6.498 -11.460 1.00 0.00 C ATOM 1075 O ARG A 66 119.376 7.404 -12.257 1.00 0.00 O ATOM 1076 CB ARG A 66 117.397 5.204 -11.082 1.00 0.00 C ATOM 1077 CG ARG A 66 116.621 3.975 -11.561 1.00 0.00 C ATOM 1078 CD ARG A 66 115.209 3.982 -10.976 1.00 0.00 C ATOM 1079 NE ARG A 66 114.526 2.707 -11.333 1.00 0.00 N ATOM 1080 CZ ARG A 66 114.425 2.351 -12.584 1.00 0.00 C ATOM 1081 NH1 ARG A 66 114.409 3.259 -13.521 1.00 0.00 N ATOM 1082 NH2 ARG A 66 114.343 1.087 -12.899 1.00 0.00 N ATOM 0 H ARG A 66 119.389 3.924 -10.029 1.00 0.00 H new ATOM 0 HA ARG A 66 118.748 4.976 -12.749 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.447 5.219 -9.993 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.887 6.117 -11.390 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.571 3.969 -12.650 1.00 0.00 H new ATOM 0 HG3 ARG A 66 117.143 3.066 -11.260 1.00 0.00 H new ATOM 0 HD2 ARG A 66 115.252 4.095 -9.893 1.00 0.00 H new ATOM 0 HD3 ARG A 66 114.646 4.831 -11.363 1.00 0.00 H new ATOM 0 HE ARG A 66 114.138 2.113 -10.600 1.00 0.00 H new ATOM 0 HH11 ARG A 66 114.475 4.247 -13.275 1.00 0.00 H new ATOM 0 HH12 ARG A 66 114.330 2.981 -14.499 1.00 0.00 H new ATOM 0 HH21 ARG A 66 114.358 0.377 -12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 66 114.264 0.809 -13.877 1.00 0.00 H new ATOM 1096 N GLY A 67 120.289 6.640 -10.409 1.00 0.00 N ATOM 1097 CA GLY A 67 121.010 7.936 -10.188 1.00 0.00 C ATOM 1098 C GLY A 67 121.106 8.268 -8.694 1.00 0.00 C ATOM 1099 O GLY A 67 121.903 9.094 -8.298 1.00 0.00 O ATOM 0 H GLY A 67 120.452 5.923 -9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 67 122.011 7.876 -10.615 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.489 8.739 -10.709 1.00 0.00 H new ATOM 1103 N GLY A 68 120.309 7.643 -7.861 1.00 0.00 N ATOM 1104 CA GLY A 68 120.373 7.948 -6.392 1.00 0.00 C ATOM 1105 C GLY A 68 118.961 8.021 -5.812 1.00 0.00 C ATOM 1106 O GLY A 68 118.014 8.341 -6.501 1.00 0.00 O ATOM 0 H GLY A 68 119.621 6.940 -8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 68 120.947 7.178 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.891 8.893 -6.231 1.00 0.00 H new ATOM 1110 N LEU A 69 118.810 7.735 -4.546 1.00 0.00 N ATOM 1111 CA LEU A 69 117.452 7.801 -3.938 1.00 0.00 C ATOM 1112 C LEU A 69 116.898 9.219 -4.071 1.00 0.00 C ATOM 1113 O LEU A 69 115.769 9.418 -4.469 1.00 0.00 O ATOM 1114 CB LEU A 69 117.522 7.433 -2.451 1.00 0.00 C ATOM 1115 CG LEU A 69 116.132 7.569 -1.803 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.086 6.770 -2.600 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.192 7.025 -0.371 1.00 0.00 C ATOM 0 H LEU A 69 119.561 7.461 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 69 116.801 7.097 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 69 117.885 6.411 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.234 8.082 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 69 115.846 8.621 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.109 6.877 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.039 7.149 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.367 5.717 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.211 7.118 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.486 5.976 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 69 116.922 7.594 0.204 1.00 0.00 H new ATOM 1129 N VAL A 70 117.679 10.208 -3.727 1.00 0.00 N ATOM 1130 CA VAL A 70 117.181 11.607 -3.823 1.00 0.00 C ATOM 1131 C VAL A 70 116.808 11.903 -5.274 1.00 0.00 C ATOM 1132 O VAL A 70 115.818 12.551 -5.550 1.00 0.00 O ATOM 1133 CB VAL A 70 118.279 12.580 -3.370 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.727 14.010 -3.393 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.755 12.221 -1.942 1.00 0.00 C ATOM 0 H VAL A 70 118.635 10.107 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 70 116.307 11.729 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 70 119.129 12.506 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.503 14.705 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.411 14.262 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 70 116.874 14.082 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.534 12.918 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 70 117.914 12.285 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.153 11.206 -1.935 1.00 0.00 H new ATOM 1145 N ASP A 71 117.590 11.436 -6.204 1.00 0.00 N ATOM 1146 CA ASP A 71 117.273 11.697 -7.634 1.00 0.00 C ATOM 1147 C ASP A 71 115.928 11.051 -7.979 1.00 0.00 C ATOM 1148 O ASP A 71 115.122 11.612 -8.695 1.00 0.00 O ATOM 1149 CB ASP A 71 118.371 11.093 -8.511 1.00 0.00 C ATOM 1150 CG ASP A 71 118.106 11.444 -9.974 1.00 0.00 C ATOM 1151 OD1 ASP A 71 117.438 12.437 -10.209 1.00 0.00 O ATOM 1152 OD2 ASP A 71 118.575 10.717 -10.833 1.00 0.00 O ATOM 0 H ASP A 71 118.433 10.886 -6.037 1.00 0.00 H new ATOM 0 HA ASP A 71 117.216 12.771 -7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 71 119.346 11.474 -8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 71 118.398 10.011 -8.385 1.00 0.00 H new ATOM 1157 N VAL A 72 115.678 9.873 -7.472 1.00 0.00 N ATOM 1158 CA VAL A 72 114.388 9.185 -7.767 1.00 0.00 C ATOM 1159 C VAL A 72 113.217 9.965 -7.154 1.00 0.00 C ATOM 1160 O VAL A 72 112.216 10.200 -7.800 1.00 0.00 O ATOM 1161 CB VAL A 72 114.437 7.761 -7.187 1.00 0.00 C ATOM 1162 CG1 VAL A 72 113.032 7.141 -7.167 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.358 6.897 -8.057 1.00 0.00 C ATOM 0 H VAL A 72 116.314 9.356 -6.864 1.00 0.00 H new ATOM 0 HA VAL A 72 114.240 9.136 -8.846 1.00 0.00 H new ATOM 0 HB VAL A 72 114.816 7.806 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 72 113.085 6.134 -6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.373 7.752 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.640 7.096 -8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.398 5.886 -7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.971 6.865 -9.076 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.360 7.325 -8.063 1.00 0.00 H new ATOM 1173 N ILE A 73 113.320 10.348 -5.911 1.00 0.00 N ATOM 1174 CA ILE A 73 112.194 11.089 -5.270 1.00 0.00 C ATOM 1175 C ILE A 73 111.905 12.393 -6.020 1.00 0.00 C ATOM 1176 O ILE A 73 110.775 12.688 -6.356 1.00 0.00 O ATOM 1177 CB ILE A 73 112.567 11.423 -3.825 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.781 10.124 -3.040 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.435 12.232 -3.183 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.393 10.442 -1.674 1.00 0.00 C ATOM 0 H ILE A 73 114.130 10.182 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 73 111.305 10.459 -5.298 1.00 0.00 H new ATOM 0 HB ILE A 73 113.486 12.009 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.831 9.605 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.438 9.455 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 73 111.698 12.472 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.284 13.155 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.516 11.646 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.544 9.516 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.351 10.942 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 73 112.720 11.094 -1.117 1.00 0.00 H new ATOM 1192 N ASN A 74 112.911 13.186 -6.267 1.00 0.00 N ATOM 1193 CA ASN A 74 112.684 14.479 -6.974 1.00 0.00 C ATOM 1194 C ASN A 74 112.103 14.234 -8.372 1.00 0.00 C ATOM 1195 O ASN A 74 111.217 14.936 -8.815 1.00 0.00 O ATOM 1196 CB ASN A 74 114.009 15.239 -7.086 1.00 0.00 C ATOM 1197 CG ASN A 74 113.784 16.570 -7.812 1.00 0.00 C ATOM 1198 OD1 ASN A 74 112.980 16.658 -8.718 1.00 0.00 O ATOM 1199 ND2 ASN A 74 114.465 17.620 -7.441 1.00 0.00 N ATOM 0 H ASN A 74 113.880 12.995 -6.010 1.00 0.00 H new ATOM 0 HA ASN A 74 111.970 15.073 -6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.420 15.421 -6.093 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.739 14.638 -7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 74 114.322 18.513 -7.912 1.00 0.00 H new ATOM 0 HD22 ASN A 74 115.140 17.547 -6.680 1.00 0.00 H new ATOM 1206 N LYS A 75 112.608 13.257 -9.080 1.00 0.00 N ATOM 1207 CA LYS A 75 112.097 12.986 -10.461 1.00 0.00 C ATOM 1208 C LYS A 75 110.934 11.990 -10.410 1.00 0.00 C ATOM 1209 O LYS A 75 110.356 11.646 -11.422 1.00 0.00 O ATOM 1210 CB LYS A 75 113.229 12.406 -11.303 1.00 0.00 C ATOM 1211 CG LYS A 75 114.273 13.490 -11.573 1.00 0.00 C ATOM 1212 CD LYS A 75 115.406 12.904 -12.419 1.00 0.00 C ATOM 1213 CE LYS A 75 116.454 13.986 -12.685 1.00 0.00 C ATOM 1214 NZ LYS A 75 115.930 14.949 -13.694 1.00 0.00 N ATOM 0 H LYS A 75 113.352 12.635 -8.764 1.00 0.00 H new ATOM 0 HA LYS A 75 111.742 13.917 -10.903 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.689 11.565 -10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.836 12.022 -12.245 1.00 0.00 H new ATOM 0 HG2 LYS A 75 113.814 14.331 -12.092 1.00 0.00 H new ATOM 0 HG3 LYS A 75 114.668 13.873 -10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 75 115.862 12.060 -11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 75 115.012 12.524 -13.362 1.00 0.00 H new ATOM 0 HE2 LYS A 75 116.696 14.508 -11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 75 117.377 13.532 -13.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 116.704 15.560 -14.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 115.533 14.425 -14.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 115.187 15.535 -13.262 1.00 0.00 H new ATOM 1228 N LYS A 76 110.583 11.540 -9.236 1.00 0.00 N ATOM 1229 CA LYS A 76 109.445 10.582 -9.085 1.00 0.00 C ATOM 1230 C LYS A 76 109.653 9.308 -9.919 1.00 0.00 C ATOM 1231 O LYS A 76 108.747 8.859 -10.595 1.00 0.00 O ATOM 1232 CB LYS A 76 108.135 11.248 -9.519 1.00 0.00 C ATOM 1233 CG LYS A 76 107.777 12.375 -8.548 1.00 0.00 C ATOM 1234 CD LYS A 76 106.468 13.027 -8.997 1.00 0.00 C ATOM 1235 CE LYS A 76 106.094 14.159 -8.035 1.00 0.00 C ATOM 1236 NZ LYS A 76 105.502 13.582 -6.796 1.00 0.00 N ATOM 0 H LYS A 76 111.041 11.798 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 76 109.398 10.302 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 76 108.236 11.645 -10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.333 10.510 -9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 76 107.673 11.981 -7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 76 108.576 13.116 -8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 76 106.574 13.418 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.672 12.283 -9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 76 106.977 14.748 -7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 76 105.383 14.835 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 105.752 14.178 -5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 104.467 13.543 -6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 105.873 12.621 -6.649 1.00 0.00 H new ATOM 1250 N LEU A 77 110.809 8.692 -9.859 1.00 0.00 N ATOM 1251 CA LEU A 77 111.004 7.421 -10.633 1.00 0.00 C ATOM 1252 C LEU A 77 110.534 6.254 -9.758 1.00 0.00 C ATOM 1253 O LEU A 77 110.836 5.105 -10.020 1.00 0.00 O ATOM 1254 CB LEU A 77 112.491 7.218 -11.016 1.00 0.00 C ATOM 1255 CG LEU A 77 112.795 7.816 -12.398 1.00 0.00 C ATOM 1256 CD1 LEU A 77 112.850 9.343 -12.307 1.00 0.00 C ATOM 1257 CD2 LEU A 77 114.149 7.283 -12.883 1.00 0.00 C ATOM 0 H LEU A 77 111.615 9.006 -9.318 1.00 0.00 H new ATOM 0 HA LEU A 77 110.428 7.471 -11.557 1.00 0.00 H new ATOM 0 HB2 LEU A 77 113.129 7.685 -10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.727 6.154 -11.017 1.00 0.00 H new ATOM 0 HG LEU A 77 112.010 7.532 -13.098 1.00 0.00 H new ATOM 0 HD11 LEU A 77 113.066 9.759 -13.291 1.00 0.00 H new ATOM 0 HD12 LEU A 77 111.890 9.721 -11.956 1.00 0.00 H new ATOM 0 HD13 LEU A 77 113.633 9.638 -11.609 1.00 0.00 H new ATOM 0 HD21 LEU A 77 114.375 7.702 -13.864 1.00 0.00 H new ATOM 0 HD22 LEU A 77 114.928 7.572 -12.177 1.00 0.00 H new ATOM 0 HD23 LEU A 77 114.108 6.196 -12.953 1.00 0.00 H new ATOM 1269 N TRP A 78 109.791 6.540 -8.726 1.00 0.00 N ATOM 1270 CA TRP A 78 109.297 5.449 -7.842 1.00 0.00 C ATOM 1271 C TRP A 78 108.444 4.490 -8.672 1.00 0.00 C ATOM 1272 O TRP A 78 108.359 3.311 -8.388 1.00 0.00 O ATOM 1273 CB TRP A 78 108.430 6.034 -6.720 1.00 0.00 C ATOM 1274 CG TRP A 78 109.285 6.594 -5.631 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.398 7.907 -5.333 1.00 0.00 C ATOM 1276 CD2 TRP A 78 110.131 5.881 -4.684 1.00 0.00 C ATOM 1277 NE1 TRP A 78 110.256 8.047 -4.258 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.736 6.827 -3.826 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.431 4.521 -4.486 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.604 6.441 -2.808 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.307 4.127 -3.461 1.00 0.00 C ATOM 1282 CH2 TRP A 78 111.893 5.086 -2.622 1.00 0.00 C ATOM 0 H TRP A 78 109.505 7.481 -8.457 1.00 0.00 H new ATOM 0 HA TRP A 78 110.148 4.926 -7.406 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.785 6.816 -7.122 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.778 5.260 -6.316 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.900 8.714 -5.850 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.504 8.942 -3.836 1.00 0.00 H new ATOM 0 HE3 TRP A 78 109.985 3.775 -5.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 112.052 7.185 -2.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.530 3.080 -3.318 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.565 4.779 -1.835 1.00 0.00 H new ATOM 1293 N GLN A 79 107.798 4.992 -9.685 1.00 0.00 N ATOM 1294 CA GLN A 79 106.934 4.119 -10.522 1.00 0.00 C ATOM 1295 C GLN A 79 107.783 3.001 -11.126 1.00 0.00 C ATOM 1296 O GLN A 79 107.364 1.863 -11.186 1.00 0.00 O ATOM 1297 CB GLN A 79 106.299 4.954 -11.637 1.00 0.00 C ATOM 1298 CG GLN A 79 105.152 5.790 -11.061 1.00 0.00 C ATOM 1299 CD GLN A 79 105.680 6.693 -9.943 1.00 0.00 C ATOM 1300 OE1 GLN A 79 105.110 6.748 -8.871 1.00 0.00 O ATOM 1301 NE2 GLN A 79 106.753 7.406 -10.147 1.00 0.00 N ATOM 0 H GLN A 79 107.831 5.971 -9.969 1.00 0.00 H new ATOM 0 HA GLN A 79 106.146 3.681 -9.910 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.047 5.606 -12.088 1.00 0.00 H new ATOM 0 HB3 GLN A 79 105.926 4.302 -12.427 1.00 0.00 H new ATOM 0 HG2 GLN A 79 104.700 6.395 -11.847 1.00 0.00 H new ATOM 0 HG3 GLN A 79 104.371 5.135 -10.674 1.00 0.00 H new ATOM 0 HE21 GLN A 79 107.232 7.361 -11.046 1.00 0.00 H new ATOM 0 HE22 GLN A 79 107.113 8.009 -9.407 1.00 0.00 H new ATOM 1310 N GLU A 80 108.979 3.297 -11.556 1.00 0.00 N ATOM 1311 CA GLU A 80 109.829 2.216 -12.125 1.00 0.00 C ATOM 1312 C GLU A 80 110.047 1.145 -11.052 1.00 0.00 C ATOM 1313 O GLU A 80 110.007 -0.037 -11.332 1.00 0.00 O ATOM 1314 CB GLU A 80 111.178 2.783 -12.579 1.00 0.00 C ATOM 1315 CG GLU A 80 110.993 3.641 -13.837 1.00 0.00 C ATOM 1316 CD GLU A 80 110.319 4.963 -13.473 1.00 0.00 C ATOM 1317 OE1 GLU A 80 110.204 5.242 -12.293 1.00 0.00 O ATOM 1318 OE2 GLU A 80 109.932 5.679 -14.384 1.00 0.00 O ATOM 0 H GLU A 80 109.399 4.226 -11.539 1.00 0.00 H new ATOM 0 HA GLU A 80 109.332 1.779 -12.991 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.616 3.383 -11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.873 1.969 -12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 80 111.960 3.832 -14.302 1.00 0.00 H new ATOM 0 HG3 GLU A 80 110.388 3.104 -14.568 1.00 0.00 H new ATOM 1325 N ILE A 81 110.253 1.541 -9.821 1.00 0.00 N ATOM 1326 CA ILE A 81 110.443 0.525 -8.745 1.00 0.00 C ATOM 1327 C ILE A 81 109.116 -0.204 -8.516 1.00 0.00 C ATOM 1328 O ILE A 81 109.081 -1.404 -8.334 1.00 0.00 O ATOM 1329 CB ILE A 81 110.886 1.210 -7.441 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.319 1.738 -7.588 1.00 0.00 C ATOM 1331 CG2 ILE A 81 110.834 0.208 -6.283 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.632 2.709 -6.447 1.00 0.00 C ATOM 0 H ILE A 81 110.297 2.514 -9.518 1.00 0.00 H new ATOM 0 HA ILE A 81 111.213 -0.185 -9.046 1.00 0.00 H new ATOM 0 HB ILE A 81 110.212 2.041 -7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 81 113.025 0.908 -7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.435 2.241 -8.548 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.149 0.699 -5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 81 109.815 -0.161 -6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 81 111.501 -0.628 -6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.651 3.081 -6.555 1.00 0.00 H new ATOM 0 HD12 ILE A 81 111.934 3.546 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.534 2.192 -5.492 1.00 0.00 H new ATOM 1344 N ILE A 82 108.024 0.512 -8.528 1.00 0.00 N ATOM 1345 CA ILE A 82 106.707 -0.145 -8.314 1.00 0.00 C ATOM 1346 C ILE A 82 106.459 -1.155 -9.437 1.00 0.00 C ATOM 1347 O ILE A 82 106.010 -2.260 -9.199 1.00 0.00 O ATOM 1348 CB ILE A 82 105.599 0.910 -8.296 1.00 0.00 C ATOM 1349 CG1 ILE A 82 105.785 1.816 -7.069 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.236 0.221 -8.216 1.00 0.00 C ATOM 1351 CD1 ILE A 82 104.848 3.030 -7.151 1.00 0.00 C ATOM 0 H ILE A 82 107.989 1.521 -8.676 1.00 0.00 H new ATOM 0 HA ILE A 82 106.708 -0.666 -7.357 1.00 0.00 H new ATOM 0 HB ILE A 82 105.649 1.507 -9.206 1.00 0.00 H new ATOM 0 HG12 ILE A 82 105.581 1.252 -6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 82 106.820 2.151 -7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 82 103.448 0.974 -8.203 1.00 0.00 H new ATOM 0 HG22 ILE A 82 104.105 -0.427 -9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.183 -0.375 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 82 104.993 3.661 -6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.072 3.602 -8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 82 103.813 2.689 -7.186 1.00 0.00 H new ATOM 1363 N LYS A 83 106.760 -0.797 -10.659 1.00 0.00 N ATOM 1364 CA LYS A 83 106.551 -1.757 -11.781 1.00 0.00 C ATOM 1365 C LYS A 83 107.407 -2.996 -11.528 1.00 0.00 C ATOM 1366 O LYS A 83 106.988 -4.114 -11.754 1.00 0.00 O ATOM 1367 CB LYS A 83 106.973 -1.116 -13.106 1.00 0.00 C ATOM 1368 CG LYS A 83 105.984 -0.014 -13.489 1.00 0.00 C ATOM 1369 CD LYS A 83 106.416 0.618 -14.815 1.00 0.00 C ATOM 1370 CE LYS A 83 105.432 1.723 -15.207 1.00 0.00 C ATOM 1371 NZ LYS A 83 105.582 2.028 -16.658 1.00 0.00 N ATOM 0 H LYS A 83 107.139 0.112 -10.926 1.00 0.00 H new ATOM 0 HA LYS A 83 105.497 -2.028 -11.838 1.00 0.00 H new ATOM 0 HB2 LYS A 83 107.977 -0.701 -13.016 1.00 0.00 H new ATOM 0 HB3 LYS A 83 107.010 -1.872 -13.890 1.00 0.00 H new ATOM 0 HG2 LYS A 83 104.980 -0.427 -13.581 1.00 0.00 H new ATOM 0 HG3 LYS A 83 105.947 0.744 -12.707 1.00 0.00 H new ATOM 0 HD2 LYS A 83 107.421 1.029 -14.722 1.00 0.00 H new ATOM 0 HD3 LYS A 83 106.454 -0.142 -15.596 1.00 0.00 H new ATOM 0 HE2 LYS A 83 104.411 1.408 -14.994 1.00 0.00 H new ATOM 0 HE3 LYS A 83 105.619 2.619 -14.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 104.914 2.779 -16.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 106.554 2.346 -16.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 105.383 1.173 -17.215 1.00 0.00 H new ATOM 1385 N GLY A 84 108.606 -2.803 -11.047 1.00 0.00 N ATOM 1386 CA GLY A 84 109.493 -3.963 -10.763 1.00 0.00 C ATOM 1387 C GLY A 84 108.987 -4.671 -9.509 1.00 0.00 C ATOM 1388 O GLY A 84 109.427 -5.750 -9.165 1.00 0.00 O ATOM 0 H GLY A 84 109.008 -1.889 -10.839 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.498 -4.650 -11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 84 110.520 -3.627 -10.619 1.00 0.00 H new ATOM 1392 N LEU A 85 108.055 -4.062 -8.824 1.00 0.00 N ATOM 1393 CA LEU A 85 107.492 -4.670 -7.582 1.00 0.00 C ATOM 1394 C LEU A 85 105.980 -4.403 -7.553 1.00 0.00 C ATOM 1395 O LEU A 85 105.461 -3.811 -6.627 1.00 0.00 O ATOM 1396 CB LEU A 85 108.183 -4.040 -6.351 1.00 0.00 C ATOM 1397 CG LEU A 85 108.296 -5.069 -5.220 1.00 0.00 C ATOM 1398 CD1 LEU A 85 109.015 -4.439 -4.026 1.00 0.00 C ATOM 1399 CD2 LEU A 85 106.898 -5.522 -4.793 1.00 0.00 C ATOM 0 H LEU A 85 107.655 -3.158 -9.075 1.00 0.00 H new ATOM 0 HA LEU A 85 107.667 -5.746 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 85 109.175 -3.681 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 85 107.615 -3.175 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 85 108.862 -5.931 -5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 85 109.095 -5.171 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 85 110.013 -4.121 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 85 108.450 -3.575 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 85 106.982 -6.253 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 85 106.328 -4.662 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 85 106.387 -5.974 -5.643 1.00 0.00 H new ATOM 1411 N HIS A 86 105.278 -4.820 -8.577 1.00 0.00 N ATOM 1412 CA HIS A 86 103.803 -4.581 -8.642 1.00 0.00 C ATOM 1413 C HIS A 86 103.162 -4.816 -7.270 1.00 0.00 C ATOM 1414 O HIS A 86 103.609 -5.637 -6.493 1.00 0.00 O ATOM 1415 CB HIS A 86 103.183 -5.533 -9.667 1.00 0.00 C ATOM 1416 CG HIS A 86 103.851 -5.334 -10.999 1.00 0.00 C ATOM 1417 ND1 HIS A 86 103.736 -4.152 -11.715 1.00 0.00 N ATOM 1418 CD2 HIS A 86 104.648 -6.155 -11.758 1.00 0.00 C ATOM 1419 CE1 HIS A 86 104.448 -4.293 -12.849 1.00 0.00 C ATOM 1420 NE2 HIS A 86 105.024 -5.495 -12.925 1.00 0.00 N ATOM 0 H HIS A 86 105.667 -5.320 -9.377 1.00 0.00 H new ATOM 0 HA HIS A 86 103.623 -3.548 -8.939 1.00 0.00 H new ATOM 0 HB2 HIS A 86 103.301 -6.566 -9.339 1.00 0.00 H new ATOM 0 HB3 HIS A 86 102.113 -5.346 -9.753 1.00 0.00 H new ATOM 0 HD2 HIS A 86 104.939 -7.160 -11.490 1.00 0.00 H new ATOM 0 HE1 HIS A 86 104.542 -3.527 -13.605 1.00 0.00 H new ATOM 0 HE2 HIS A 86 105.613 -5.853 -13.677 1.00 0.00 H new ATOM 1428 N LEU A 87 102.124 -4.083 -6.967 1.00 0.00 N ATOM 1429 CA LEU A 87 101.454 -4.231 -5.646 1.00 0.00 C ATOM 1430 C LEU A 87 101.156 -5.726 -5.388 1.00 0.00 C ATOM 1431 O LEU A 87 100.473 -6.349 -6.177 1.00 0.00 O ATOM 1432 CB LEU A 87 100.125 -3.457 -5.676 1.00 0.00 C ATOM 1433 CG LEU A 87 100.378 -1.957 -5.471 1.00 0.00 C ATOM 1434 CD1 LEU A 87 101.116 -1.382 -6.683 1.00 0.00 C ATOM 1435 CD2 LEU A 87 99.037 -1.239 -5.310 1.00 0.00 C ATOM 0 H LEU A 87 101.710 -3.384 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 87 102.100 -3.843 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 87 99.622 -3.621 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 87 99.461 -3.831 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 87 100.987 -1.813 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 87 101.292 -0.317 -6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 87 102.071 -1.894 -6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.511 -1.525 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.210 -0.173 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 87 98.434 -1.389 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.510 -1.643 -4.446 1.00 0.00 H new ATOM 1447 N PRO A 88 101.637 -6.322 -4.305 1.00 0.00 N ATOM 1448 CA PRO A 88 101.340 -7.761 -4.050 1.00 0.00 C ATOM 1449 C PRO A 88 99.832 -8.011 -3.887 1.00 0.00 C ATOM 1450 O PRO A 88 99.197 -8.611 -4.731 1.00 0.00 O ATOM 1451 CB PRO A 88 102.101 -8.047 -2.736 1.00 0.00 C ATOM 1452 CG PRO A 88 102.800 -6.752 -2.276 1.00 0.00 C ATOM 1453 CD PRO A 88 102.490 -5.635 -3.288 1.00 0.00 C ATOM 0 HA PRO A 88 101.643 -8.408 -4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 88 101.411 -8.397 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 88 102.835 -8.838 -2.889 1.00 0.00 H new ATOM 0 HG2 PRO A 88 102.453 -6.468 -1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 88 103.876 -6.909 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 88 101.966 -4.802 -2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 88 103.399 -5.231 -3.732 1.00 0.00 H new ATOM 1461 N SER A 89 99.267 -7.556 -2.799 1.00 0.00 N ATOM 1462 CA SER A 89 97.810 -7.762 -2.558 1.00 0.00 C ATOM 1463 C SER A 89 97.479 -7.332 -1.120 1.00 0.00 C ATOM 1464 O SER A 89 96.550 -7.821 -0.511 1.00 0.00 O ATOM 1465 CB SER A 89 97.471 -9.245 -2.760 1.00 0.00 C ATOM 1466 OG SER A 89 97.092 -9.458 -4.114 1.00 0.00 O ATOM 0 H SER A 89 99.757 -7.047 -2.063 1.00 0.00 H new ATOM 0 HA SER A 89 97.222 -7.166 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 89 98.332 -9.865 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 89 96.661 -9.539 -2.093 1.00 0.00 H new ATOM 0 HG SER A 89 97.730 -9.008 -4.707 1.00 0.00 H new ATOM 1472 N SER A 90 98.239 -6.419 -0.578 1.00 0.00 N ATOM 1473 CA SER A 90 97.982 -5.955 0.813 1.00 0.00 C ATOM 1474 C SER A 90 98.728 -4.641 1.050 1.00 0.00 C ATOM 1475 O SER A 90 98.313 -3.812 1.836 1.00 0.00 O ATOM 1476 CB SER A 90 98.486 -7.006 1.804 1.00 0.00 C ATOM 1477 OG SER A 90 97.731 -8.201 1.648 1.00 0.00 O ATOM 0 H SER A 90 99.030 -5.973 -1.042 1.00 0.00 H new ATOM 0 HA SER A 90 96.912 -5.804 0.955 1.00 0.00 H new ATOM 0 HB2 SER A 90 99.544 -7.206 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 90 98.393 -6.634 2.824 1.00 0.00 H new ATOM 0 HG SER A 90 96.918 -8.010 1.135 1.00 0.00 H new ATOM 1483 N ILE A 91 99.830 -4.446 0.373 1.00 0.00 N ATOM 1484 CA ILE A 91 100.615 -3.192 0.544 1.00 0.00 C ATOM 1485 C ILE A 91 100.287 -2.234 -0.594 1.00 0.00 C ATOM 1486 O ILE A 91 100.643 -2.459 -1.734 1.00 0.00 O ATOM 1487 CB ILE A 91 102.108 -3.524 0.497 1.00 0.00 C ATOM 1488 CG1 ILE A 91 102.452 -4.474 1.647 1.00 0.00 C ATOM 1489 CG2 ILE A 91 102.923 -2.232 0.628 1.00 0.00 C ATOM 1490 CD1 ILE A 91 103.853 -5.052 1.431 1.00 0.00 C ATOM 0 H ILE A 91 100.221 -5.109 -0.296 1.00 0.00 H new ATOM 0 HA ILE A 91 100.365 -2.731 1.500 1.00 0.00 H new ATOM 0 HB ILE A 91 102.348 -4.004 -0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 91 102.409 -3.942 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 91 101.719 -5.279 1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 91 103.987 -2.468 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 91 102.674 -1.560 -0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 91 102.688 -1.748 1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 91 104.098 -5.728 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 91 103.880 -5.599 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 91 104.581 -4.241 1.401 1.00 0.00 H new ATOM 1502 N THR A 92 99.629 -1.156 -0.290 1.00 0.00 N ATOM 1503 CA THR A 92 99.294 -0.167 -1.340 1.00 0.00 C ATOM 1504 C THR A 92 100.504 0.726 -1.538 1.00 0.00 C ATOM 1505 O THR A 92 101.568 0.419 -1.051 1.00 0.00 O ATOM 1506 CB THR A 92 98.098 0.674 -0.898 1.00 0.00 C ATOM 1507 OG1 THR A 92 98.328 1.171 0.413 1.00 0.00 O ATOM 1508 CG2 THR A 92 96.837 -0.188 -0.908 1.00 0.00 C ATOM 0 H THR A 92 99.307 -0.917 0.648 1.00 0.00 H new ATOM 0 HA THR A 92 99.036 -0.672 -2.271 1.00 0.00 H new ATOM 0 HB THR A 92 97.967 1.511 -1.584 1.00 0.00 H new ATOM 0 HG1 THR A 92 97.562 1.712 0.697 1.00 0.00 H new ATOM 0 HG21 THR A 92 95.984 0.412 -0.593 1.00 0.00 H new ATOM 0 HG22 THR A 92 96.662 -0.566 -1.915 1.00 0.00 H new ATOM 0 HG23 THR A 92 96.964 -1.026 -0.223 1.00 0.00 H new ATOM 1516 N SER A 93 100.322 1.817 -2.245 1.00 0.00 N ATOM 1517 CA SER A 93 101.429 2.802 -2.535 1.00 0.00 C ATOM 1518 C SER A 93 102.781 2.340 -1.978 1.00 0.00 C ATOM 1519 O SER A 93 103.374 2.987 -1.137 1.00 0.00 O ATOM 1520 CB SER A 93 101.059 4.141 -1.901 1.00 0.00 C ATOM 1521 OG SER A 93 102.110 5.074 -2.120 1.00 0.00 O ATOM 0 H SER A 93 99.423 2.078 -2.649 1.00 0.00 H new ATOM 0 HA SER A 93 101.534 2.888 -3.617 1.00 0.00 H new ATOM 0 HB2 SER A 93 100.130 4.515 -2.331 1.00 0.00 H new ATOM 0 HB3 SER A 93 100.887 4.015 -0.832 1.00 0.00 H new ATOM 0 HG SER A 93 101.873 5.934 -1.715 1.00 0.00 H new ATOM 1527 N ALA A 94 103.263 1.212 -2.440 1.00 0.00 N ATOM 1528 CA ALA A 94 104.563 0.696 -1.936 1.00 0.00 C ATOM 1529 C ALA A 94 105.600 1.814 -1.978 1.00 0.00 C ATOM 1530 O ALA A 94 106.520 1.850 -1.189 1.00 0.00 O ATOM 1531 CB ALA A 94 105.026 -0.469 -2.814 1.00 0.00 C ATOM 0 H ALA A 94 102.809 0.630 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 94 104.445 0.348 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 94 105.979 -0.847 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 94 104.283 -1.266 -2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 94 105.146 -0.125 -3.841 1.00 0.00 H new ATOM 1537 N ALA A 95 105.451 2.743 -2.880 1.00 0.00 N ATOM 1538 CA ALA A 95 106.430 3.860 -2.949 1.00 0.00 C ATOM 1539 C ALA A 95 106.554 4.482 -1.561 1.00 0.00 C ATOM 1540 O ALA A 95 107.631 4.592 -1.009 1.00 0.00 O ATOM 1541 CB ALA A 95 105.925 4.914 -3.936 1.00 0.00 C ATOM 0 H ALA A 95 104.699 2.777 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 95 107.400 3.491 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 95 106.640 5.735 -3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 95 105.814 4.465 -4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.960 5.295 -3.600 1.00 0.00 H new ATOM 1547 N PHE A 96 105.453 4.872 -0.988 1.00 0.00 N ATOM 1548 CA PHE A 96 105.495 5.471 0.375 1.00 0.00 C ATOM 1549 C PHE A 96 106.086 4.464 1.369 1.00 0.00 C ATOM 1550 O PHE A 96 106.910 4.804 2.195 1.00 0.00 O ATOM 1551 CB PHE A 96 104.081 5.855 0.812 1.00 0.00 C ATOM 1552 CG PHE A 96 104.133 6.457 2.195 1.00 0.00 C ATOM 1553 CD1 PHE A 96 104.327 7.835 2.355 1.00 0.00 C ATOM 1554 CD2 PHE A 96 103.984 5.637 3.321 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.374 8.391 3.639 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.031 6.193 4.605 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.226 7.570 4.764 1.00 0.00 C ATOM 0 H PHE A 96 104.524 4.803 -1.404 1.00 0.00 H new ATOM 0 HA PHE A 96 106.122 6.363 0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.652 6.568 0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.436 4.976 0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 96 104.440 8.469 1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 96 103.833 4.575 3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.524 9.453 3.762 1.00 0.00 H new ATOM 0 HE2 PHE A 96 103.917 5.560 5.472 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.262 7.999 5.754 1.00 0.00 H new ATOM 1567 N THR A 97 105.663 3.230 1.311 1.00 0.00 N ATOM 1568 CA THR A 97 106.203 2.217 2.266 1.00 0.00 C ATOM 1569 C THR A 97 107.696 1.986 2.000 1.00 0.00 C ATOM 1570 O THR A 97 108.482 1.831 2.911 1.00 0.00 O ATOM 1571 CB THR A 97 105.452 0.897 2.089 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.069 1.100 2.346 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.002 -0.147 3.064 1.00 0.00 C ATOM 0 H THR A 97 104.971 2.880 0.648 1.00 0.00 H new ATOM 0 HA THR A 97 106.071 2.585 3.284 1.00 0.00 H new ATOM 0 HB THR A 97 105.586 0.542 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.587 0.254 2.231 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.463 -1.086 2.934 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.062 -0.306 2.867 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.873 0.207 4.087 1.00 0.00 H new ATOM 1581 N LEU A 98 108.092 1.941 0.758 1.00 0.00 N ATOM 1582 CA LEU A 98 109.531 1.700 0.442 1.00 0.00 C ATOM 1583 C LEU A 98 110.410 2.850 0.960 1.00 0.00 C ATOM 1584 O LEU A 98 111.399 2.629 1.630 1.00 0.00 O ATOM 1585 CB LEU A 98 109.701 1.589 -1.079 1.00 0.00 C ATOM 1586 CG LEU A 98 109.069 0.285 -1.602 1.00 0.00 C ATOM 1587 CD1 LEU A 98 108.921 0.376 -3.126 1.00 0.00 C ATOM 1588 CD2 LEU A 98 109.957 -0.923 -1.251 1.00 0.00 C ATOM 0 H LEU A 98 107.483 2.060 -0.052 1.00 0.00 H new ATOM 0 HA LEU A 98 109.841 0.776 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 98 109.235 2.446 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.760 1.614 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 98 108.093 0.152 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.474 -0.544 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 98 108.281 1.221 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.902 0.515 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.495 -1.836 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.939 -0.798 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 98 110.066 -0.992 -0.169 1.00 0.00 H new ATOM 1600 N ARG A 99 110.082 4.072 0.627 1.00 0.00 N ATOM 1601 CA ARG A 99 110.928 5.222 1.076 1.00 0.00 C ATOM 1602 C ARG A 99 111.004 5.320 2.606 1.00 0.00 C ATOM 1603 O ARG A 99 112.045 5.627 3.153 1.00 0.00 O ATOM 1604 CB ARG A 99 110.380 6.532 0.498 1.00 0.00 C ATOM 1605 CG ARG A 99 108.977 6.801 1.029 1.00 0.00 C ATOM 1606 CD ARG A 99 108.418 8.062 0.365 1.00 0.00 C ATOM 1607 NE ARG A 99 108.192 7.798 -1.087 1.00 0.00 N ATOM 1608 CZ ARG A 99 107.339 8.523 -1.761 1.00 0.00 C ATOM 1609 NH1 ARG A 99 107.626 9.761 -2.062 1.00 0.00 N ATOM 1610 NH2 ARG A 99 106.202 8.008 -2.137 1.00 0.00 N ATOM 0 H ARG A 99 109.268 4.324 0.066 1.00 0.00 H new ATOM 0 HA ARG A 99 111.939 5.049 0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 99 111.040 7.358 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 99 110.359 6.476 -0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.328 5.950 0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 99 109.003 6.927 2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 99 107.483 8.354 0.843 1.00 0.00 H new ATOM 0 HD3 ARG A 99 109.113 8.892 0.491 1.00 0.00 H new ATOM 0 HE ARG A 99 108.705 7.050 -1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.517 10.163 -1.771 1.00 0.00 H new ATOM 0 HH12 ARG A 99 106.959 10.326 -2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 99 105.979 7.040 -1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 99 105.535 8.573 -2.663 1.00 0.00 H new ATOM 1624 N THR A 100 109.927 5.092 3.307 1.00 0.00 N ATOM 1625 CA THR A 100 109.992 5.213 4.794 1.00 0.00 C ATOM 1626 C THR A 100 110.894 4.116 5.375 1.00 0.00 C ATOM 1627 O THR A 100 111.677 4.361 6.272 1.00 0.00 O ATOM 1628 CB THR A 100 108.567 5.143 5.385 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.515 5.920 6.573 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.170 3.699 5.710 1.00 0.00 C ATOM 0 H THR A 100 109.018 4.831 2.924 1.00 0.00 H new ATOM 0 HA THR A 100 110.425 6.176 5.062 1.00 0.00 H new ATOM 0 HB THR A 100 107.869 5.533 4.644 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.612 5.880 6.951 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.162 3.683 6.124 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.198 3.100 4.800 1.00 0.00 H new ATOM 0 HG23 THR A 100 108.868 3.285 6.438 1.00 0.00 H new ATOM 1638 N GLN A 101 110.800 2.913 4.875 1.00 0.00 N ATOM 1639 CA GLN A 101 111.664 1.824 5.413 1.00 0.00 C ATOM 1640 C GLN A 101 113.110 2.083 5.000 1.00 0.00 C ATOM 1641 O GLN A 101 114.032 1.915 5.774 1.00 0.00 O ATOM 1642 CB GLN A 101 111.208 0.483 4.839 1.00 0.00 C ATOM 1643 CG GLN A 101 109.852 0.102 5.435 1.00 0.00 C ATOM 1644 CD GLN A 101 109.366 -1.201 4.797 1.00 0.00 C ATOM 1645 OE1 GLN A 101 108.180 -1.451 4.727 1.00 0.00 O ATOM 1646 NE2 GLN A 101 110.241 -2.042 4.318 1.00 0.00 N ATOM 0 H GLN A 101 110.167 2.639 4.123 1.00 0.00 H new ATOM 0 HA GLN A 101 111.589 1.799 6.500 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.134 0.547 3.753 1.00 0.00 H new ATOM 0 HB3 GLN A 101 111.944 -0.289 5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 101 109.938 -0.019 6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.128 0.898 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 101 111.237 -1.831 4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 101 109.929 -2.911 3.884 1.00 0.00 H new ATOM 1655 N TYR A 102 113.313 2.505 3.784 1.00 0.00 N ATOM 1656 CA TYR A 102 114.692 2.793 3.310 1.00 0.00 C ATOM 1657 C TYR A 102 115.302 3.883 4.190 1.00 0.00 C ATOM 1658 O TYR A 102 116.402 3.763 4.687 1.00 0.00 O ATOM 1659 CB TYR A 102 114.615 3.291 1.866 1.00 0.00 C ATOM 1660 CG TYR A 102 115.997 3.364 1.263 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.828 4.455 1.546 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.443 2.351 0.405 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.102 4.533 0.969 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.714 2.430 -0.172 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.543 3.520 0.109 1.00 0.00 C ATOM 1666 OH TYR A 102 119.795 3.599 -0.461 1.00 0.00 O ATOM 0 H TYR A 102 112.578 2.663 3.095 1.00 0.00 H new ATOM 0 HA TYR A 102 115.307 1.895 3.362 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.988 2.622 1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.146 4.275 1.838 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.487 5.236 2.209 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.804 1.507 0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.744 5.374 1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.055 1.649 -0.835 1.00 0.00 H new ATOM 0 HH TYR A 102 120.062 2.714 -0.787 1.00 0.00 H new ATOM 1676 N MET A 103 114.591 4.954 4.378 1.00 0.00 N ATOM 1677 CA MET A 103 115.123 6.063 5.211 1.00 0.00 C ATOM 1678 C MET A 103 115.334 5.614 6.655 1.00 0.00 C ATOM 1679 O MET A 103 116.234 6.080 7.326 1.00 0.00 O ATOM 1680 CB MET A 103 114.159 7.250 5.159 1.00 0.00 C ATOM 1681 CG MET A 103 114.207 7.876 3.764 1.00 0.00 C ATOM 1682 SD MET A 103 113.072 9.283 3.685 1.00 0.00 S ATOM 1683 CE MET A 103 113.441 9.770 1.980 1.00 0.00 C ATOM 0 H MET A 103 113.661 5.111 3.990 1.00 0.00 H new ATOM 0 HA MET A 103 116.091 6.365 4.811 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.145 6.921 5.388 1.00 0.00 H new ATOM 0 HB3 MET A 103 114.432 7.989 5.912 1.00 0.00 H new ATOM 0 HG2 MET A 103 115.222 8.202 3.536 1.00 0.00 H new ATOM 0 HG3 MET A 103 113.935 7.135 3.013 1.00 0.00 H new ATOM 0 HE1 MET A 103 112.840 10.639 1.712 1.00 0.00 H new ATOM 0 HE2 MET A 103 114.499 10.020 1.894 1.00 0.00 H new ATOM 0 HE3 MET A 103 113.207 8.945 1.307 1.00 0.00 H new ATOM 1693 N LYS A 104 114.519 4.736 7.157 1.00 0.00 N ATOM 1694 CA LYS A 104 114.697 4.306 8.567 1.00 0.00 C ATOM 1695 C LYS A 104 116.085 3.669 8.773 1.00 0.00 C ATOM 1696 O LYS A 104 116.703 3.873 9.799 1.00 0.00 O ATOM 1697 CB LYS A 104 113.586 3.322 8.962 1.00 0.00 C ATOM 1698 CG LYS A 104 113.529 3.201 10.495 1.00 0.00 C ATOM 1699 CD LYS A 104 112.310 2.365 10.926 1.00 0.00 C ATOM 1700 CE LYS A 104 111.049 3.242 10.968 1.00 0.00 C ATOM 1701 NZ LYS A 104 109.895 2.428 11.443 1.00 0.00 N ATOM 0 H LYS A 104 113.743 4.300 6.658 1.00 0.00 H new ATOM 0 HA LYS A 104 114.631 5.184 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.626 3.667 8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 104 113.775 2.345 8.516 1.00 0.00 H new ATOM 0 HG2 LYS A 104 114.444 2.737 10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 104 113.473 4.194 10.942 1.00 0.00 H new ATOM 0 HD2 LYS A 104 112.163 1.539 10.231 1.00 0.00 H new ATOM 0 HD3 LYS A 104 112.490 1.927 11.908 1.00 0.00 H new ATOM 0 HE2 LYS A 104 111.206 4.092 11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 104 110.840 3.645 9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 109.041 3.020 11.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 109.742 1.631 10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 110.096 2.064 12.396 1.00 0.00 H new ATOM 1715 N TYR A 105 116.577 2.878 7.832 1.00 0.00 N ATOM 1716 CA TYR A 105 117.923 2.215 8.027 1.00 0.00 C ATOM 1717 C TYR A 105 118.864 2.383 6.818 1.00 0.00 C ATOM 1718 O TYR A 105 120.035 2.076 6.925 1.00 0.00 O ATOM 1719 CB TYR A 105 117.716 0.710 8.212 1.00 0.00 C ATOM 1720 CG TYR A 105 116.989 0.429 9.499 1.00 0.00 C ATOM 1721 CD1 TYR A 105 117.705 0.271 10.690 1.00 0.00 C ATOM 1722 CD2 TYR A 105 115.597 0.324 9.497 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.022 0.004 11.882 1.00 0.00 C ATOM 1724 CE2 TYR A 105 114.913 0.060 10.686 1.00 0.00 C ATOM 1725 CZ TYR A 105 115.625 -0.102 11.881 1.00 0.00 C ATOM 1726 OH TYR A 105 114.952 -0.363 13.056 1.00 0.00 O ATOM 0 H TYR A 105 116.112 2.665 6.949 1.00 0.00 H new ATOM 0 HA TYR A 105 118.377 2.693 8.895 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.148 0.310 7.372 1.00 0.00 H new ATOM 0 HB3 TYR A 105 118.681 0.203 8.215 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.782 0.355 10.690 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.048 0.447 8.575 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.572 -0.120 12.803 1.00 0.00 H new ATOM 0 HE2 TYR A 105 113.836 -0.019 10.684 1.00 0.00 H new ATOM 0 HH TYR A 105 113.989 -0.403 12.879 1.00 0.00 H new ATOM 1736 N LEU A 106 118.385 2.791 5.662 1.00 0.00 N ATOM 1737 CA LEU A 106 119.299 2.871 4.461 1.00 0.00 C ATOM 1738 C LEU A 106 119.658 4.312 4.050 1.00 0.00 C ATOM 1739 O LEU A 106 120.590 4.502 3.293 1.00 0.00 O ATOM 1740 CB LEU A 106 118.621 2.151 3.281 1.00 0.00 C ATOM 1741 CG LEU A 106 118.743 0.619 3.449 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.631 -0.082 2.660 1.00 0.00 C ATOM 1743 CD2 LEU A 106 120.109 0.131 2.929 1.00 0.00 C ATOM 0 H LEU A 106 117.418 3.069 5.495 1.00 0.00 H new ATOM 0 HA LEU A 106 120.238 2.392 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.570 2.436 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 106 119.083 2.459 2.343 1.00 0.00 H new ATOM 0 HG LEU A 106 118.652 0.380 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.723 -1.161 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.660 0.244 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.719 0.172 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 106 120.181 -0.949 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 106 120.207 0.382 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.907 0.615 3.492 1.00 0.00 H new ATOM 1755 N TYR A 107 118.977 5.334 4.506 1.00 0.00 N ATOM 1756 CA TYR A 107 119.396 6.701 4.059 1.00 0.00 C ATOM 1757 C TYR A 107 120.784 7.051 4.634 1.00 0.00 C ATOM 1758 O TYR A 107 121.585 7.648 3.944 1.00 0.00 O ATOM 1759 CB TYR A 107 118.352 7.782 4.418 1.00 0.00 C ATOM 1760 CG TYR A 107 118.960 9.158 4.252 1.00 0.00 C ATOM 1761 CD1 TYR A 107 118.973 9.762 2.989 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.512 9.824 5.352 1.00 0.00 C ATOM 1763 CE1 TYR A 107 119.537 11.032 2.823 1.00 0.00 C ATOM 1764 CE2 TYR A 107 120.076 11.096 5.189 1.00 0.00 C ATOM 1765 CZ TYR A 107 120.089 11.700 3.924 1.00 0.00 C ATOM 1766 OH TYR A 107 120.647 12.952 3.764 1.00 0.00 O ATOM 0 H TYR A 107 118.181 5.290 5.142 1.00 0.00 H new ATOM 0 HA TYR A 107 119.463 6.684 2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.476 7.682 3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.013 7.646 5.445 1.00 0.00 H new ATOM 0 HD1 TYR A 107 118.547 9.247 2.141 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.503 9.358 6.326 1.00 0.00 H new ATOM 0 HE1 TYR A 107 119.547 11.496 1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.501 11.611 6.038 1.00 0.00 H new ATOM 0 HH TYR A 107 120.193 13.422 3.033 1.00 0.00 H new ATOM 1776 N PRO A 108 121.105 6.685 5.863 1.00 0.00 N ATOM 1777 CA PRO A 108 122.453 7.008 6.401 1.00 0.00 C ATOM 1778 C PRO A 108 123.526 6.172 5.693 1.00 0.00 C ATOM 1779 O PRO A 108 124.608 6.639 5.399 1.00 0.00 O ATOM 1780 CB PRO A 108 122.324 6.641 7.897 1.00 0.00 C ATOM 1781 CG PRO A 108 120.893 6.122 8.148 1.00 0.00 C ATOM 1782 CD PRO A 108 120.196 5.946 6.787 1.00 0.00 C ATOM 0 HA PRO A 108 122.754 8.045 6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 108 123.056 5.880 8.165 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.527 7.512 8.520 1.00 0.00 H new ATOM 0 HG2 PRO A 108 120.922 5.174 8.685 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.338 6.824 8.770 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.103 4.896 6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.190 6.365 6.789 1.00 0.00 H new ATOM 1790 N TYR A 109 123.213 4.936 5.408 1.00 0.00 N ATOM 1791 CA TYR A 109 124.186 4.055 4.706 1.00 0.00 C ATOM 1792 C TYR A 109 124.367 4.561 3.269 1.00 0.00 C ATOM 1793 O TYR A 109 125.468 4.649 2.762 1.00 0.00 O ATOM 1794 CB TYR A 109 123.636 2.624 4.690 1.00 0.00 C ATOM 1795 CG TYR A 109 124.746 1.650 4.374 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.769 1.447 5.306 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.751 0.945 3.162 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.800 0.546 5.030 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.784 0.041 2.887 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.810 -0.158 3.820 1.00 0.00 C ATOM 1801 OH TYR A 109 127.829 -1.047 3.546 1.00 0.00 O ATOM 0 H TYR A 109 122.320 4.498 5.633 1.00 0.00 H new ATOM 0 HA TYR A 109 125.148 4.068 5.218 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.194 2.384 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.843 2.538 3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.762 1.988 6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.960 1.099 2.443 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.590 0.392 5.750 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.790 -0.504 1.954 1.00 0.00 H new ATOM 0 HH TYR A 109 127.683 -1.451 2.665 1.00 0.00 H new ATOM 1811 N GLU A 110 123.284 4.901 2.617 1.00 0.00 N ATOM 1812 CA GLU A 110 123.361 5.412 1.224 1.00 0.00 C ATOM 1813 C GLU A 110 124.283 6.636 1.174 1.00 0.00 C ATOM 1814 O GLU A 110 125.218 6.692 0.400 1.00 0.00 O ATOM 1815 CB GLU A 110 121.942 5.806 0.788 1.00 0.00 C ATOM 1816 CG GLU A 110 121.957 6.498 -0.579 1.00 0.00 C ATOM 1817 CD GLU A 110 122.514 5.550 -1.642 1.00 0.00 C ATOM 1818 OE1 GLU A 110 123.716 5.345 -1.659 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.725 5.056 -2.430 1.00 0.00 O ATOM 0 H GLU A 110 122.340 4.844 3.000 1.00 0.00 H new ATOM 0 HA GLU A 110 123.763 4.649 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.312 4.917 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.501 6.471 1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 110 120.948 6.807 -0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 110 122.565 7.401 -0.531 1.00 0.00 H new ATOM 1826 N CYS A 111 124.022 7.621 1.993 1.00 0.00 N ATOM 1827 CA CYS A 111 124.879 8.842 1.988 1.00 0.00 C ATOM 1828 C CYS A 111 126.316 8.468 2.338 1.00 0.00 C ATOM 1829 O CYS A 111 127.259 8.980 1.768 1.00 0.00 O ATOM 1830 CB CYS A 111 124.352 9.849 3.011 1.00 0.00 C ATOM 1831 SG CYS A 111 125.430 11.303 3.026 1.00 0.00 S ATOM 0 H CYS A 111 123.254 7.632 2.664 1.00 0.00 H new ATOM 0 HA CYS A 111 124.854 9.289 0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 111 123.332 10.140 2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 111 124.319 9.396 4.002 1.00 0.00 H new ATOM 0 HG CYS A 111 125.643 11.698 1.806 1.00 0.00 H new ATOM 1837 N GLU A 112 126.495 7.581 3.270 1.00 0.00 N ATOM 1838 CA GLU A 112 127.873 7.179 3.649 1.00 0.00 C ATOM 1839 C GLU A 112 128.498 6.414 2.481 1.00 0.00 C ATOM 1840 O GLU A 112 129.661 6.576 2.167 1.00 0.00 O ATOM 1841 CB GLU A 112 127.813 6.291 4.895 1.00 0.00 C ATOM 1842 CG GLU A 112 129.225 5.883 5.317 1.00 0.00 C ATOM 1843 CD GLU A 112 129.144 5.008 6.570 1.00 0.00 C ATOM 1844 OE1 GLU A 112 128.056 4.878 7.107 1.00 0.00 O ATOM 1845 OE2 GLU A 112 130.171 4.489 6.974 1.00 0.00 O ATOM 0 H GLU A 112 125.748 7.117 3.786 1.00 0.00 H new ATOM 0 HA GLU A 112 128.479 8.057 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.322 6.825 5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.215 5.403 4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 112 129.715 5.339 4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.828 6.769 5.516 1.00 0.00 H new ATOM 1852 N LYS A 113 127.730 5.577 1.835 1.00 0.00 N ATOM 1853 CA LYS A 113 128.270 4.796 0.686 1.00 0.00 C ATOM 1854 C LYS A 113 128.772 5.728 -0.428 1.00 0.00 C ATOM 1855 O LYS A 113 129.869 5.563 -0.923 1.00 0.00 O ATOM 1856 CB LYS A 113 127.161 3.893 0.127 1.00 0.00 C ATOM 1857 CG LYS A 113 126.961 2.662 1.035 1.00 0.00 C ATOM 1858 CD LYS A 113 127.947 1.541 0.645 1.00 0.00 C ATOM 1859 CE LYS A 113 127.362 0.695 -0.496 1.00 0.00 C ATOM 1860 NZ LYS A 113 128.355 -0.337 -0.909 1.00 0.00 N ATOM 0 H LYS A 113 126.750 5.401 2.055 1.00 0.00 H new ATOM 0 HA LYS A 113 129.109 4.196 1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 113 126.229 4.454 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 113 127.420 3.571 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 113 127.113 2.942 2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 113 125.936 2.301 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 113 128.898 1.974 0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 113 128.151 0.909 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 113 126.438 0.217 -0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 113 127.110 1.333 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 127.959 -0.910 -1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 129.225 0.130 -1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 128.574 -0.952 -0.099 1.00 0.00 H new ATOM 1874 N LYS A 114 127.974 6.690 -0.849 1.00 0.00 N ATOM 1875 CA LYS A 114 128.413 7.609 -1.960 1.00 0.00 C ATOM 1876 C LYS A 114 128.153 9.079 -1.623 1.00 0.00 C ATOM 1877 O LYS A 114 128.604 9.961 -2.326 1.00 0.00 O ATOM 1878 CB LYS A 114 127.646 7.260 -3.236 1.00 0.00 C ATOM 1879 CG LYS A 114 128.120 5.909 -3.766 1.00 0.00 C ATOM 1880 CD LYS A 114 127.350 5.567 -5.040 1.00 0.00 C ATOM 1881 CE LYS A 114 127.906 4.274 -5.634 1.00 0.00 C ATOM 1882 NZ LYS A 114 129.335 4.481 -6.004 1.00 0.00 N ATOM 0 H LYS A 114 127.044 6.878 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 114 129.486 7.472 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.576 7.226 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.802 8.032 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 114 129.190 5.941 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 114 127.963 5.135 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 114 126.289 5.452 -4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 114 127.438 6.380 -5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 114 127.818 3.461 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 114 127.328 3.985 -6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 129.510 4.082 -6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 129.547 5.499 -6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 129.946 4.006 -5.309 1.00 0.00 H new ATOM 1896 N ASN A 115 127.423 9.369 -0.585 1.00 0.00 N ATOM 1897 CA ASN A 115 127.150 10.803 -0.272 1.00 0.00 C ATOM 1898 C ASN A 115 126.486 11.446 -1.495 1.00 0.00 C ATOM 1899 O ASN A 115 126.913 12.476 -1.979 1.00 0.00 O ATOM 1900 CB ASN A 115 128.469 11.523 0.045 1.00 0.00 C ATOM 1901 CG ASN A 115 128.180 12.813 0.819 1.00 0.00 C ATOM 1902 OD1 ASN A 115 127.211 12.893 1.548 1.00 0.00 O ATOM 1903 ND2 ASN A 115 128.986 13.831 0.691 1.00 0.00 N ATOM 0 H ASN A 115 127.008 8.690 0.053 1.00 0.00 H new ATOM 0 HA ASN A 115 126.492 10.881 0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.117 10.873 0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.000 11.753 -0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 115 128.803 14.694 1.203 1.00 0.00 H new ATOM 0 HD22 ASN A 115 129.799 13.764 0.079 1.00 0.00 H new ATOM 1910 N LEU A 116 125.452 10.830 -2.008 1.00 0.00 N ATOM 1911 CA LEU A 116 124.765 11.383 -3.214 1.00 0.00 C ATOM 1912 C LEU A 116 124.233 12.782 -2.914 1.00 0.00 C ATOM 1913 O LEU A 116 124.296 13.671 -3.740 1.00 0.00 O ATOM 1914 CB LEU A 116 123.568 10.496 -3.571 1.00 0.00 C ATOM 1915 CG LEU A 116 124.024 9.067 -3.901 1.00 0.00 C ATOM 1916 CD1 LEU A 116 122.825 8.111 -3.788 1.00 0.00 C ATOM 1917 CD2 LEU A 116 124.585 9.007 -5.329 1.00 0.00 C ATOM 0 H LEU A 116 125.053 9.965 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 116 125.480 11.418 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 116 122.865 10.475 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.038 10.919 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 116 124.803 8.772 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.146 7.096 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.429 8.142 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.049 8.417 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 116 124.905 7.989 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 116 123.812 9.307 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.437 9.682 -5.414 1.00 0.00 H new ATOM 1929 N SER A 117 123.692 12.981 -1.746 1.00 0.00 N ATOM 1930 CA SER A 117 123.133 14.318 -1.400 1.00 0.00 C ATOM 1931 C SER A 117 123.196 14.518 0.116 1.00 0.00 C ATOM 1932 O SER A 117 123.449 13.594 0.864 1.00 0.00 O ATOM 1933 CB SER A 117 121.679 14.380 -1.884 1.00 0.00 C ATOM 1934 OG SER A 117 121.653 14.862 -3.221 1.00 0.00 O ATOM 0 H SER A 117 123.612 12.275 -1.014 1.00 0.00 H new ATOM 0 HA SER A 117 123.711 15.107 -1.881 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.223 13.391 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 117 121.095 15.035 -1.237 1.00 0.00 H new ATOM 0 HG SER A 117 121.202 15.732 -3.246 1.00 0.00 H new ATOM 1940 N THR A 118 122.956 15.723 0.574 1.00 0.00 N ATOM 1941 CA THR A 118 122.983 16.008 2.041 1.00 0.00 C ATOM 1942 C THR A 118 121.539 16.227 2.510 1.00 0.00 C ATOM 1943 O THR A 118 120.701 16.638 1.734 1.00 0.00 O ATOM 1944 CB THR A 118 123.806 17.281 2.276 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.478 18.239 1.279 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.297 16.948 2.194 1.00 0.00 C ATOM 0 H THR A 118 122.740 16.529 -0.013 1.00 0.00 H new ATOM 0 HA THR A 118 123.430 15.181 2.593 1.00 0.00 H new ATOM 0 HB THR A 118 123.581 17.686 3.262 1.00 0.00 H new ATOM 0 HG1 THR A 118 124.000 19.055 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.882 17.853 2.361 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.547 16.209 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.526 16.545 1.207 1.00 0.00 H new ATOM 1954 N PRO A 119 121.222 15.967 3.758 1.00 0.00 N ATOM 1955 CA PRO A 119 119.830 16.174 4.232 1.00 0.00 C ATOM 1956 C PRO A 119 119.277 17.546 3.805 1.00 0.00 C ATOM 1957 O PRO A 119 118.081 17.758 3.762 1.00 0.00 O ATOM 1958 CB PRO A 119 119.977 16.054 5.766 1.00 0.00 C ATOM 1959 CG PRO A 119 121.459 15.764 6.090 1.00 0.00 C ATOM 1960 CD PRO A 119 122.191 15.466 4.771 1.00 0.00 C ATOM 0 HA PRO A 119 119.119 15.462 3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.655 16.975 6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.342 15.255 6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 119 121.913 16.619 6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.540 14.916 6.770 1.00 0.00 H new ATOM 0 HD2 PRO A 119 123.149 15.983 4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.395 14.402 4.649 1.00 0.00 H new ATOM 1968 N ALA A 120 120.142 18.472 3.488 1.00 0.00 N ATOM 1969 CA ALA A 120 119.672 19.824 3.062 1.00 0.00 C ATOM 1970 C ALA A 120 118.988 19.738 1.692 1.00 0.00 C ATOM 1971 O ALA A 120 117.827 20.082 1.534 1.00 0.00 O ATOM 1972 CB ALA A 120 120.869 20.774 2.974 1.00 0.00 C ATOM 0 H ALA A 120 121.155 18.351 3.505 1.00 0.00 H new ATOM 0 HA ALA A 120 118.956 20.199 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.528 21.761 2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.349 20.846 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.584 20.392 2.246 1.00 0.00 H new ATOM 1978 N GLU A 121 119.696 19.277 0.697 1.00 0.00 N ATOM 1979 CA GLU A 121 119.087 19.173 -0.655 1.00 0.00 C ATOM 1980 C GLU A 121 118.005 18.095 -0.624 1.00 0.00 C ATOM 1981 O GLU A 121 117.097 18.087 -1.431 1.00 0.00 O ATOM 1982 CB GLU A 121 120.172 18.850 -1.701 1.00 0.00 C ATOM 1983 CG GLU A 121 121.311 18.057 -1.062 1.00 0.00 C ATOM 1984 CD GLU A 121 122.250 17.548 -2.157 1.00 0.00 C ATOM 1985 OE1 GLU A 121 121.767 17.272 -3.243 1.00 0.00 O ATOM 1986 OE2 GLU A 121 123.436 17.443 -1.892 1.00 0.00 O ATOM 0 H GLU A 121 120.666 18.969 0.763 1.00 0.00 H new ATOM 0 HA GLU A 121 118.632 20.122 -0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 121 119.737 18.277 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 121 120.560 19.774 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 121 121.859 18.687 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 121 120.911 17.219 -0.492 1.00 0.00 H new ATOM 1993 N LEU A 122 118.075 17.205 0.321 1.00 0.00 N ATOM 1994 CA LEU A 122 117.024 16.155 0.421 1.00 0.00 C ATOM 1995 C LEU A 122 115.683 16.845 0.649 1.00 0.00 C ATOM 1996 O LEU A 122 114.681 16.490 0.061 1.00 0.00 O ATOM 1997 CB LEU A 122 117.329 15.227 1.600 1.00 0.00 C ATOM 1998 CG LEU A 122 116.234 14.157 1.732 1.00 0.00 C ATOM 1999 CD1 LEU A 122 116.136 13.330 0.439 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.583 13.238 2.906 1.00 0.00 C ATOM 0 H LEU A 122 118.810 17.157 1.027 1.00 0.00 H new ATOM 0 HA LEU A 122 116.996 15.563 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.298 14.750 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.394 15.807 2.521 1.00 0.00 H new ATOM 0 HG LEU A 122 115.273 14.641 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.356 12.576 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.892 13.987 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 122 117.090 12.840 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.813 12.473 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.545 12.761 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.639 13.825 3.823 1.00 0.00 H new ATOM 2012 N GLN A 123 115.659 17.841 1.492 1.00 0.00 N ATOM 2013 CA GLN A 123 114.385 18.562 1.745 1.00 0.00 C ATOM 2014 C GLN A 123 113.914 19.148 0.420 1.00 0.00 C ATOM 2015 O GLN A 123 112.746 19.097 0.089 1.00 0.00 O ATOM 2016 CB GLN A 123 114.627 19.684 2.764 1.00 0.00 C ATOM 2017 CG GLN A 123 113.314 20.409 3.087 1.00 0.00 C ATOM 2018 CD GLN A 123 112.430 19.507 3.949 1.00 0.00 C ATOM 2019 OE1 GLN A 123 111.563 18.824 3.444 1.00 0.00 O ATOM 2020 NE2 GLN A 123 112.617 19.475 5.240 1.00 0.00 N ATOM 0 H GLN A 123 116.465 18.184 2.014 1.00 0.00 H new ATOM 0 HA GLN A 123 113.629 17.887 2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.054 19.268 3.677 1.00 0.00 H new ATOM 0 HB3 GLN A 123 115.353 20.394 2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 123 113.521 21.342 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 123 112.795 20.671 2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 123 113.346 20.049 5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 123 112.035 18.876 5.825 1.00 0.00 H new ATOM 2029 N ALA A 124 114.816 19.683 -0.356 1.00 0.00 N ATOM 2030 CA ALA A 124 114.406 20.241 -1.672 1.00 0.00 C ATOM 2031 C ALA A 124 113.789 19.111 -2.500 1.00 0.00 C ATOM 2032 O ALA A 124 112.802 19.292 -3.184 1.00 0.00 O ATOM 2033 CB ALA A 124 115.624 20.814 -2.402 1.00 0.00 C ATOM 0 H ALA A 124 115.810 19.757 -0.137 1.00 0.00 H new ATOM 0 HA ALA A 124 113.682 21.043 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.313 21.220 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.069 21.606 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.358 20.024 -2.561 1.00 0.00 H new ATOM 2039 N ALA A 125 114.365 17.939 -2.428 1.00 0.00 N ATOM 2040 CA ALA A 125 113.818 16.784 -3.195 1.00 0.00 C ATOM 2041 C ALA A 125 112.470 16.372 -2.601 1.00 0.00 C ATOM 2042 O ALA A 125 111.542 16.040 -3.313 1.00 0.00 O ATOM 2043 CB ALA A 125 114.795 15.603 -3.111 1.00 0.00 C ATOM 0 H ALA A 125 115.193 17.733 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 125 113.685 17.071 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.394 14.759 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.757 15.896 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.929 15.315 -2.068 1.00 0.00 H new ATOM 2049 N ILE A 126 112.353 16.384 -1.299 1.00 0.00 N ATOM 2050 CA ILE A 126 111.063 15.985 -0.666 1.00 0.00 C ATOM 2051 C ILE A 126 109.997 17.047 -0.958 1.00 0.00 C ATOM 2052 O ILE A 126 108.876 16.732 -1.306 1.00 0.00 O ATOM 2053 CB ILE A 126 111.272 15.857 0.847 1.00 0.00 C ATOM 2054 CG1 ILE A 126 112.180 14.658 1.132 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.922 15.654 1.541 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.621 14.688 2.596 1.00 0.00 C ATOM 0 H ILE A 126 113.092 16.652 -0.649 1.00 0.00 H new ATOM 0 HA ILE A 126 110.730 15.030 -1.071 1.00 0.00 H new ATOM 0 HB ILE A 126 111.736 16.767 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.651 13.729 0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 126 113.052 14.685 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 126 110.076 15.564 2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.276 16.508 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.452 14.746 1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 126 113.268 13.834 2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 126 113.166 15.611 2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.744 14.640 3.241 1.00 0.00 H new ATOM 2068 N ASP A 127 110.338 18.301 -0.833 1.00 0.00 N ATOM 2069 CA ASP A 127 109.344 19.375 -1.119 1.00 0.00 C ATOM 2070 C ASP A 127 108.911 19.291 -2.585 1.00 0.00 C ATOM 2071 O ASP A 127 107.756 19.476 -2.913 1.00 0.00 O ATOM 2072 CB ASP A 127 109.964 20.747 -0.843 1.00 0.00 C ATOM 2073 CG ASP A 127 110.076 20.969 0.668 1.00 0.00 C ATOM 2074 OD1 ASP A 127 109.284 20.391 1.394 1.00 0.00 O ATOM 2075 OD2 ASP A 127 110.951 21.716 1.075 1.00 0.00 O ATOM 0 H ASP A 127 111.260 18.628 -0.546 1.00 0.00 H new ATOM 0 HA ASP A 127 108.475 19.242 -0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 127 110.950 20.810 -1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 127 109.352 21.530 -1.291 1.00 0.00 H new ATOM 2080 N GLY A 128 109.833 19.025 -3.468 1.00 0.00 N ATOM 2081 CA GLY A 128 109.481 18.940 -4.914 1.00 0.00 C ATOM 2082 C GLY A 128 108.429 17.850 -5.132 1.00 0.00 C ATOM 2083 O GLY A 128 107.599 17.946 -6.015 1.00 0.00 O ATOM 0 H GLY A 128 110.816 18.863 -3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 128 109.099 19.900 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.372 18.720 -5.502 1.00 0.00 H new ATOM 2087 N ASN A 129 108.454 16.812 -4.342 1.00 0.00 N ATOM 2088 CA ASN A 129 107.451 15.723 -4.522 1.00 0.00 C ATOM 2089 C ASN A 129 106.036 16.287 -4.345 1.00 0.00 C ATOM 2090 O ASN A 129 105.123 15.928 -5.062 1.00 0.00 O ATOM 2091 CB ASN A 129 107.698 14.619 -3.489 1.00 0.00 C ATOM 2092 CG ASN A 129 106.974 13.343 -3.921 1.00 0.00 C ATOM 2093 OD1 ASN A 129 106.035 12.914 -3.282 1.00 0.00 O ATOM 2094 ND2 ASN A 129 107.377 12.714 -4.993 1.00 0.00 N ATOM 0 H ASN A 129 109.121 16.670 -3.584 1.00 0.00 H new ATOM 0 HA ASN A 129 107.549 15.307 -5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 129 108.767 14.428 -3.394 1.00 0.00 H new ATOM 0 HB3 ASN A 129 107.342 14.937 -2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 129 106.903 11.862 -5.293 1.00 0.00 H new ATOM 0 HD22 ASN A 129 108.166 13.075 -5.530 1.00 0.00 H new ATOM 2101 N ARG A 130 105.843 17.169 -3.398 1.00 0.00 N ATOM 2102 CA ARG A 130 104.483 17.751 -3.182 1.00 0.00 C ATOM 2103 C ARG A 130 104.303 18.971 -4.093 1.00 0.00 C ATOM 2104 O ARG A 130 105.056 19.180 -5.023 1.00 0.00 O ATOM 2105 CB ARG A 130 104.336 18.173 -1.709 1.00 0.00 C ATOM 2106 CG ARG A 130 102.854 18.182 -1.306 1.00 0.00 C ATOM 2107 CD ARG A 130 102.082 19.181 -2.173 1.00 0.00 C ATOM 2108 NE ARG A 130 100.786 19.506 -1.514 1.00 0.00 N ATOM 2109 CZ ARG A 130 99.784 18.673 -1.595 1.00 0.00 C ATOM 2110 NH1 ARG A 130 99.882 17.485 -1.067 1.00 0.00 N ATOM 2111 NH2 ARG A 130 98.683 19.029 -2.200 1.00 0.00 N ATOM 0 H ARG A 130 106.567 17.511 -2.766 1.00 0.00 H new ATOM 0 HA ARG A 130 103.722 17.008 -3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 130 104.890 17.486 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 130 104.767 19.164 -1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 130 102.431 17.184 -1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 130 102.756 18.449 -0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 130 102.669 20.088 -2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 130 101.904 18.760 -3.163 1.00 0.00 H new ATOM 0 HE ARG A 130 100.681 20.380 -0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 130 100.741 17.208 -0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 130 99.100 16.833 -1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 130 98.605 19.959 -2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 130 97.901 18.377 -2.262 1.00 0.00 H new TER 2125 ARG A 130