USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1145 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 7 LYS NZ :NH3+ 148:sc= 0.634 (180deg=-0.0815) USER MOD Set 1.2: A 121 GLN : amide:sc= -4.41! C(o=-3.8!,f=-5.7!) USER MOD Set 2.1: A 33 ASN : amide:sc= 0 K(o=0.035,f=0.58) USER MOD Set 2.2: A 35 SER OG : rot 180:sc= 0.0347 USER MOD Set 3.1: A 14 SER OG : rot 180:sc= 0.00608 USER MOD Set 3.2: A 17 GLN : amide:sc= -1.69 K(o=-1.7,f=-0.0031) USER MOD Set 4.1: A 8 SER OG : rot -160:sc= 0.692 USER MOD Set 4.2: A 51 TYR OH : rot -156:sc= 1.12 USER MOD Set 4.3: A 53 HIS : no HE2:sc= -1.52 K(o=0.3,f=-1.8) USER MOD Single : A 1 VAL N :NH3+ 177:sc= -0.344 (180deg=-0.354) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -93:sc= 1.25 USER MOD Single : A 18 GLN : amide:sc= 1.35 K(o=1.3,f=-6!) USER MOD Single : A 21 LYS NZ :NH3+ -143:sc= 1.36 (180deg=1.23) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 34 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.42) USER MOD Single : A 37 LYS NZ :NH3+ 151:sc= 0.926 (180deg=0.378) USER MOD Single : A 39 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.35) USER MOD Single : A 40 MET CE :methyl -154:sc= -1.82 (180deg=-3.09!) USER MOD Single : A 43 MET CE :methyl 170:sc= -0.0246 (180deg=-0.224) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -38:sc= 0.0571 USER MOD Single : A 55 ASN : amide:sc= 0.354 K(o=0.35,f=-0.54) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 0.831 (180deg=0.573) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 11:sc= 1.06 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot -65:sc= -1.94 USER MOD Single : A 87 LYS NZ :NH3+ 141:sc= 0.235 (180deg=-0.978) USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= 1.12 (180deg=0.66) USER MOD Single : A 93 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00322) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -109:sc= -1.67 (180deg=-3.42!) USER MOD Single : A 113 MET CE :methyl 159:sc= -3.46! (180deg=-3.79!) USER MOD Single : A 114 LYS NZ :NH3+ 149:sc= 1.84 (180deg=1.11) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot -117:sc= 1.23 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 CYS SG : rot 80:sc= 1.22 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 153:sc=-0.00411 (180deg=-1.08) USER MOD Single : A 140 HIS : no HD1:sc= -0.078 X(o=-0.078,f=-0.069) USER MOD Single : A 141 HIS : no HE2:sc= -0.203 K(o=-0.2,f=-4.5!) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 144 HIS : no HD1:sc= -0.0966 X(o=-0.097,f=0) USER MOD Single : A 145 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 117.498 5.242 -13.848 1.00 0.00 N ATOM 2 CA VAL A 1 117.570 4.636 -12.500 1.00 0.00 C ATOM 3 C VAL A 1 117.415 5.705 -11.424 1.00 0.00 C ATOM 4 O VAL A 1 117.937 6.815 -11.555 1.00 0.00 O ATOM 5 CB VAL A 1 118.899 3.874 -12.283 1.00 0.00 C ATOM 6 CG1 VAL A 1 118.996 2.686 -13.231 1.00 0.00 C ATOM 7 CG2 VAL A 1 120.098 4.798 -12.467 1.00 0.00 C ATOM 0 H1 VAL A 1 117.656 4.508 -14.568 1.00 0.00 H new ATOM 0 H2 VAL A 1 116.559 5.667 -13.988 1.00 0.00 H new ATOM 0 H3 VAL A 1 118.228 5.977 -13.937 1.00 0.00 H new ATOM 0 HA VAL A 1 116.751 3.921 -12.425 1.00 0.00 H new ATOM 0 HB VAL A 1 118.909 3.504 -11.258 1.00 0.00 H new ATOM 0 HG11 VAL A 1 119.937 2.163 -13.063 1.00 0.00 H new ATOM 0 HG12 VAL A 1 118.165 2.005 -13.048 1.00 0.00 H new ATOM 0 HG13 VAL A 1 118.955 3.039 -14.262 1.00 0.00 H new ATOM 0 HG21 VAL A 1 121.018 4.236 -12.309 1.00 0.00 H new ATOM 0 HG22 VAL A 1 120.091 5.206 -13.478 1.00 0.00 H new ATOM 0 HG23 VAL A 1 120.043 5.614 -11.746 1.00 0.00 H new ATOM 19 N ALA A 2 116.680 5.377 -10.375 1.00 0.00 N ATOM 20 CA ALA A 2 116.453 6.301 -9.278 1.00 0.00 C ATOM 21 C ALA A 2 116.636 5.595 -7.943 1.00 0.00 C ATOM 22 O ALA A 2 117.181 4.489 -7.880 1.00 0.00 O ATOM 23 CB ALA A 2 115.057 6.904 -9.380 1.00 0.00 C ATOM 0 H ALA A 2 116.227 4.470 -10.260 1.00 0.00 H new ATOM 0 HA ALA A 2 117.184 7.107 -9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 2 114.898 7.595 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 2 114.960 7.440 -10.324 1.00 0.00 H new ATOM 0 HB3 ALA A 2 114.313 6.109 -9.337 1.00 0.00 H new ATOM 29 N TYR A 3 116.192 6.241 -6.877 1.00 0.00 N ATOM 30 CA TYR A 3 116.298 5.675 -5.546 1.00 0.00 C ATOM 31 C TYR A 3 114.917 5.549 -4.921 1.00 0.00 C ATOM 32 O TYR A 3 114.033 6.369 -5.177 1.00 0.00 O ATOM 33 CB TYR A 3 117.215 6.532 -4.677 1.00 0.00 C ATOM 34 CG TYR A 3 118.616 6.648 -5.232 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.448 5.538 -5.297 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.103 7.861 -5.698 1.00 0.00 C ATOM 37 CE1 TYR A 3 120.724 5.632 -5.811 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.380 7.962 -6.216 1.00 0.00 C ATOM 39 CZ TYR A 3 121.186 6.845 -6.268 1.00 0.00 C ATOM 40 OH TYR A 3 122.457 6.941 -6.780 1.00 0.00 O ATOM 0 H TYR A 3 115.753 7.161 -6.910 1.00 0.00 H new ATOM 0 HA TYR A 3 116.734 4.679 -5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 3 116.786 7.529 -4.578 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.261 6.104 -3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.089 4.584 -4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.475 8.739 -5.655 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.357 4.758 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 3 120.745 8.912 -6.578 1.00 0.00 H new ATOM 0 HH TYR A 3 122.628 7.865 -7.060 1.00 0.00 H new ATOM 50 N TRP A 4 114.728 4.510 -4.121 1.00 0.00 N ATOM 51 CA TRP A 4 113.419 4.206 -3.560 1.00 0.00 C ATOM 52 C TRP A 4 113.541 3.789 -2.097 1.00 0.00 C ATOM 53 O TRP A 4 114.622 3.852 -1.512 1.00 0.00 O ATOM 54 CB TRP A 4 112.753 3.083 -4.370 1.00 0.00 C ATOM 55 CG TRP A 4 112.775 3.323 -5.852 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.720 2.886 -6.735 1.00 0.00 C ATOM 57 CD2 TRP A 4 111.822 4.067 -6.619 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.415 3.316 -8.003 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.253 4.039 -7.960 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.645 4.752 -6.305 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.549 4.669 -8.981 1.00 0.00 C ATOM 62 CZ3 TRP A 4 109.949 5.376 -7.321 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.402 5.330 -8.643 1.00 0.00 C ATOM 0 H TRP A 4 115.466 3.862 -3.845 1.00 0.00 H new ATOM 0 HA TRP A 4 112.803 5.104 -3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.258 2.141 -4.154 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.719 2.973 -4.043 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.582 2.289 -6.474 1.00 0.00 H new ATOM 0 HE1 TRP A 4 113.965 3.127 -8.841 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.287 4.792 -5.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 111.896 4.637 -10.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.038 5.909 -7.091 1.00 0.00 H new ATOM 0 HH2 TRP A 4 109.833 5.828 -9.414 1.00 0.00 H new ATOM 74 N LEU A 5 112.431 3.370 -1.509 1.00 0.00 N ATOM 75 CA LEU A 5 112.420 2.872 -0.140 1.00 0.00 C ATOM 76 C LEU A 5 111.252 1.910 0.037 1.00 0.00 C ATOM 77 O LEU A 5 110.119 2.236 -0.315 1.00 0.00 O ATOM 78 CB LEU A 5 112.323 4.046 0.849 1.00 0.00 C ATOM 79 CG LEU A 5 112.589 3.716 2.329 1.00 0.00 C ATOM 80 CD1 LEU A 5 112.957 4.982 3.086 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.379 3.055 2.983 1.00 0.00 C ATOM 0 H LEU A 5 111.518 3.365 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 5 113.348 2.337 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 5 113.030 4.815 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.326 4.479 0.769 1.00 0.00 H new ATOM 0 HG LEU A 5 113.420 3.011 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 5 113.143 4.739 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.855 5.419 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 5 112.137 5.697 3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.604 2.837 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.523 3.728 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 5 111.144 2.128 2.461 1.00 0.00 H new ATOM 93 N VAL A 6 111.532 0.731 0.571 1.00 0.00 N ATOM 94 CA VAL A 6 110.502 -0.276 0.791 1.00 0.00 C ATOM 95 C VAL A 6 110.319 -0.547 2.283 1.00 0.00 C ATOM 96 O VAL A 6 111.295 -0.606 3.039 1.00 0.00 O ATOM 97 CB VAL A 6 110.821 -1.596 0.052 1.00 0.00 C ATOM 98 CG1 VAL A 6 110.750 -1.392 -1.455 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.189 -2.137 0.452 1.00 0.00 C ATOM 0 H VAL A 6 112.467 0.446 0.861 1.00 0.00 H new ATOM 0 HA VAL A 6 109.573 0.122 0.384 1.00 0.00 H new ATOM 0 HB VAL A 6 110.071 -2.332 0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 6 110.977 -2.331 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 6 109.748 -1.065 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.474 -0.634 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.384 -3.066 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 6 112.957 -1.405 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.205 -2.328 1.525 1.00 0.00 H new ATOM 109 N LYS A 7 109.070 -0.680 2.704 1.00 0.00 N ATOM 110 CA LYS A 7 108.758 -0.956 4.100 1.00 0.00 C ATOM 111 C LYS A 7 108.581 -2.453 4.320 1.00 0.00 C ATOM 112 O LYS A 7 107.727 -3.084 3.696 1.00 0.00 O ATOM 113 CB LYS A 7 107.489 -0.215 4.532 1.00 0.00 C ATOM 114 CG LYS A 7 107.582 1.298 4.395 1.00 0.00 C ATOM 115 CD LYS A 7 106.299 1.970 4.858 1.00 0.00 C ATOM 116 CE LYS A 7 106.301 3.460 4.553 1.00 0.00 C ATOM 117 NZ LYS A 7 107.320 4.206 5.333 1.00 0.00 N ATOM 0 H LYS A 7 108.254 -0.601 2.098 1.00 0.00 H new ATOM 0 HA LYS A 7 109.592 -0.603 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.650 -0.573 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.271 -0.463 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 7 108.422 1.668 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 7 107.779 1.561 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.446 1.500 4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.176 1.818 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.485 3.608 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.314 3.871 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 107.666 5.010 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 106.894 4.557 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 108.115 3.574 5.560 1.00 0.00 H new ATOM 131 N SER A 8 109.391 -3.014 5.204 1.00 0.00 N ATOM 132 CA SER A 8 109.342 -4.435 5.496 1.00 0.00 C ATOM 133 C SER A 8 109.143 -4.667 6.993 1.00 0.00 C ATOM 134 O SER A 8 109.573 -3.860 7.818 1.00 0.00 O ATOM 135 CB SER A 8 110.634 -5.107 5.017 1.00 0.00 C ATOM 136 OG SER A 8 110.644 -6.492 5.320 1.00 0.00 O ATOM 0 H SER A 8 110.095 -2.501 5.735 1.00 0.00 H new ATOM 0 HA SER A 8 108.496 -4.876 4.968 1.00 0.00 H new ATOM 0 HB2 SER A 8 110.740 -4.968 3.941 1.00 0.00 H new ATOM 0 HB3 SER A 8 111.491 -4.625 5.486 1.00 0.00 H new ATOM 0 HG SER A 8 111.566 -6.823 5.309 1.00 0.00 H new ATOM 142 N GLU A 9 108.494 -5.769 7.337 1.00 0.00 N ATOM 143 CA GLU A 9 108.245 -6.116 8.730 1.00 0.00 C ATOM 144 C GLU A 9 109.203 -7.217 9.172 1.00 0.00 C ATOM 145 O GLU A 9 109.164 -8.325 8.643 1.00 0.00 O ATOM 146 CB GLU A 9 106.799 -6.577 8.906 1.00 0.00 C ATOM 147 CG GLU A 9 105.776 -5.539 8.478 1.00 0.00 C ATOM 148 CD GLU A 9 104.356 -6.049 8.581 1.00 0.00 C ATOM 149 OE1 GLU A 9 103.755 -5.930 9.669 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.833 -6.569 7.575 1.00 0.00 O ATOM 0 H GLU A 9 108.127 -6.444 6.666 1.00 0.00 H new ATOM 0 HA GLU A 9 108.410 -5.234 9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 9 106.644 -7.488 8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.632 -6.831 9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 9 105.885 -4.649 9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 9 105.977 -5.238 7.450 1.00 0.00 H new ATOM 157 N PRO A 10 110.072 -6.928 10.155 1.00 0.00 N ATOM 158 CA PRO A 10 111.102 -7.873 10.616 1.00 0.00 C ATOM 159 C PRO A 10 110.502 -9.112 11.269 1.00 0.00 C ATOM 160 O PRO A 10 111.134 -10.165 11.324 1.00 0.00 O ATOM 161 CB PRO A 10 111.904 -7.066 11.640 1.00 0.00 C ATOM 162 CG PRO A 10 110.981 -5.986 12.086 1.00 0.00 C ATOM 163 CD PRO A 10 110.113 -5.664 10.903 1.00 0.00 C ATOM 0 HA PRO A 10 111.703 -8.249 9.788 1.00 0.00 H new ATOM 0 HB2 PRO A 10 112.216 -7.690 12.478 1.00 0.00 H new ATOM 0 HB3 PRO A 10 112.810 -6.653 11.196 1.00 0.00 H new ATOM 0 HG2 PRO A 10 110.379 -6.314 12.933 1.00 0.00 H new ATOM 0 HG3 PRO A 10 111.538 -5.107 12.411 1.00 0.00 H new ATOM 0 HD2 PRO A 10 109.117 -5.347 11.211 1.00 0.00 H new ATOM 0 HD3 PRO A 10 110.534 -4.856 10.304 1.00 0.00 H new ATOM 171 N SER A 11 109.279 -8.974 11.762 1.00 0.00 N ATOM 172 CA SER A 11 108.564 -10.085 12.366 1.00 0.00 C ATOM 173 C SER A 11 108.247 -11.143 11.310 1.00 0.00 C ATOM 174 O SER A 11 108.112 -12.329 11.618 1.00 0.00 O ATOM 175 CB SER A 11 107.272 -9.571 13.001 1.00 0.00 C ATOM 176 OG SER A 11 107.493 -8.335 13.665 1.00 0.00 O ATOM 0 H SER A 11 108.760 -8.096 11.754 1.00 0.00 H new ATOM 0 HA SER A 11 109.188 -10.540 13.136 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.509 -9.445 12.233 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.892 -10.307 13.710 1.00 0.00 H new ATOM 0 HG SER A 11 107.694 -8.502 14.609 1.00 0.00 H new ATOM 182 N VAL A 12 108.149 -10.701 10.061 1.00 0.00 N ATOM 183 CA VAL A 12 107.819 -11.585 8.957 1.00 0.00 C ATOM 184 C VAL A 12 109.057 -11.876 8.115 1.00 0.00 C ATOM 185 O VAL A 12 109.405 -13.035 7.885 1.00 0.00 O ATOM 186 CB VAL A 12 106.720 -10.978 8.055 1.00 0.00 C ATOM 187 CG1 VAL A 12 106.334 -11.944 6.942 1.00 0.00 C ATOM 188 CG2 VAL A 12 105.500 -10.591 8.880 1.00 0.00 C ATOM 0 H VAL A 12 108.295 -9.729 9.790 1.00 0.00 H new ATOM 0 HA VAL A 12 107.443 -12.513 9.387 1.00 0.00 H new ATOM 0 HB VAL A 12 107.121 -10.076 7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 12 105.559 -11.493 6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 12 107.209 -12.161 6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 12 105.957 -12.869 7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.739 -10.166 8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 12 105.100 -11.476 9.375 1.00 0.00 H new ATOM 0 HG23 VAL A 12 105.787 -9.854 9.630 1.00 0.00 H new ATOM 198 N TRP A 13 109.726 -10.819 7.671 1.00 0.00 N ATOM 199 CA TRP A 13 110.893 -10.963 6.816 1.00 0.00 C ATOM 200 C TRP A 13 112.078 -10.193 7.395 1.00 0.00 C ATOM 201 O TRP A 13 112.030 -8.968 7.558 1.00 0.00 O ATOM 202 CB TRP A 13 110.570 -10.478 5.401 1.00 0.00 C ATOM 203 CG TRP A 13 111.580 -10.899 4.378 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.373 -10.086 3.621 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.906 -12.243 3.998 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.165 -10.842 2.793 1.00 0.00 N ATOM 207 CE2 TRP A 13 112.901 -12.164 3.010 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.454 -13.505 4.397 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.453 -13.293 2.419 1.00 0.00 C ATOM 210 CZ3 TRP A 13 112.004 -14.627 3.803 1.00 0.00 C ATOM 211 CH2 TRP A 13 112.997 -14.511 2.824 1.00 0.00 C ATOM 0 H TRP A 13 109.479 -9.854 7.890 1.00 0.00 H new ATOM 0 HA TRP A 13 111.166 -12.017 6.767 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.591 -10.858 5.110 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.501 -9.390 5.406 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.377 -9.007 3.667 1.00 0.00 H new ATOM 0 HE1 TRP A 13 113.842 -10.475 2.124 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.690 -13.602 5.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.219 -13.208 1.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 111.662 -15.607 4.100 1.00 0.00 H new ATOM 0 HH2 TRP A 13 113.410 -15.405 2.381 1.00 0.00 H new ATOM 222 N SER A 14 113.132 -10.923 7.718 1.00 0.00 N ATOM 223 CA SER A 14 114.319 -10.348 8.324 1.00 0.00 C ATOM 224 C SER A 14 115.324 -9.902 7.262 1.00 0.00 C ATOM 225 O SER A 14 115.231 -10.296 6.096 1.00 0.00 O ATOM 226 CB SER A 14 114.956 -11.384 9.250 1.00 0.00 C ATOM 227 OG SER A 14 115.219 -12.592 8.549 1.00 0.00 O ATOM 0 H SER A 14 113.188 -11.930 7.567 1.00 0.00 H new ATOM 0 HA SER A 14 114.030 -9.466 8.895 1.00 0.00 H new ATOM 0 HB2 SER A 14 115.884 -10.988 9.663 1.00 0.00 H new ATOM 0 HB3 SER A 14 114.292 -11.583 10.091 1.00 0.00 H new ATOM 0 HG SER A 14 115.628 -13.241 9.158 1.00 0.00 H new ATOM 233 N TRP A 15 116.285 -9.080 7.672 1.00 0.00 N ATOM 234 CA TRP A 15 117.349 -8.629 6.784 1.00 0.00 C ATOM 235 C TRP A 15 118.290 -9.787 6.457 1.00 0.00 C ATOM 236 O TRP A 15 118.782 -9.905 5.336 1.00 0.00 O ATOM 237 CB TRP A 15 118.112 -7.470 7.437 1.00 0.00 C ATOM 238 CG TRP A 15 119.320 -7.007 6.672 1.00 0.00 C ATOM 239 CD1 TRP A 15 120.619 -7.072 7.086 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.343 -6.409 5.368 1.00 0.00 C ATOM 241 NE1 TRP A 15 121.449 -6.550 6.125 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.691 -6.137 5.060 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.359 -6.078 4.432 1.00 0.00 C ATOM 244 CZ2 TRP A 15 121.075 -5.549 3.857 1.00 0.00 C ATOM 245 CZ3 TRP A 15 118.743 -5.495 3.239 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.091 -5.235 2.961 1.00 0.00 C ATOM 0 H TRP A 15 116.348 -8.711 8.621 1.00 0.00 H new ATOM 0 HA TRP A 15 116.913 -8.274 5.850 1.00 0.00 H new ATOM 0 HB2 TRP A 15 117.431 -6.628 7.560 1.00 0.00 H new ATOM 0 HB3 TRP A 15 118.425 -7.775 8.435 1.00 0.00 H new ATOM 0 HD1 TRP A 15 120.947 -7.476 8.033 1.00 0.00 H new ATOM 0 HE1 TRP A 15 122.464 -6.481 6.192 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.317 -6.274 4.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 122.114 -5.348 3.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 117.991 -5.236 2.509 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.359 -4.777 2.020 1.00 0.00 H new ATOM 257 N ASP A 16 118.508 -10.652 7.443 1.00 0.00 N ATOM 258 CA ASP A 16 119.373 -11.817 7.275 1.00 0.00 C ATOM 259 C ASP A 16 118.896 -12.704 6.130 1.00 0.00 C ATOM 260 O ASP A 16 119.696 -13.162 5.312 1.00 0.00 O ATOM 261 CB ASP A 16 119.424 -12.631 8.567 1.00 0.00 C ATOM 262 CG ASP A 16 120.143 -13.953 8.389 1.00 0.00 C ATOM 263 OD1 ASP A 16 121.392 -13.959 8.361 1.00 0.00 O ATOM 264 OD2 ASP A 16 119.463 -14.991 8.266 1.00 0.00 O ATOM 0 H ASP A 16 118.095 -10.568 8.372 1.00 0.00 H new ATOM 0 HA ASP A 16 120.372 -11.454 7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 16 119.925 -12.049 9.340 1.00 0.00 H new ATOM 0 HB3 ASP A 16 118.408 -12.817 8.916 1.00 0.00 H new ATOM 269 N GLN A 17 117.589 -12.927 6.066 1.00 0.00 N ATOM 270 CA GLN A 17 117.009 -13.781 5.036 1.00 0.00 C ATOM 271 C GLN A 17 117.142 -13.162 3.649 1.00 0.00 C ATOM 272 O GLN A 17 117.160 -13.875 2.646 1.00 0.00 O ATOM 273 CB GLN A 17 115.547 -14.087 5.359 1.00 0.00 C ATOM 274 CG GLN A 17 115.391 -15.236 6.341 1.00 0.00 C ATOM 275 CD GLN A 17 113.959 -15.449 6.800 1.00 0.00 C ATOM 276 OE1 GLN A 17 113.546 -16.574 7.078 1.00 0.00 O ATOM 277 NE2 GLN A 17 113.199 -14.372 6.898 1.00 0.00 N ATOM 0 H GLN A 17 116.910 -12.529 6.715 1.00 0.00 H new ATOM 0 HA GLN A 17 117.567 -14.717 5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 17 115.076 -13.195 5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 17 115.018 -14.328 4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 17 115.756 -16.152 5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 17 116.019 -15.048 7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 17 113.579 -13.456 6.658 1.00 0.00 H new ATOM 0 HE22 GLN A 17 112.233 -14.457 7.214 1.00 0.00 H new ATOM 286 N GLN A 18 117.255 -11.840 3.591 1.00 0.00 N ATOM 287 CA GLN A 18 117.475 -11.160 2.323 1.00 0.00 C ATOM 288 C GLN A 18 118.918 -11.355 1.880 1.00 0.00 C ATOM 289 O GLN A 18 119.184 -11.656 0.720 1.00 0.00 O ATOM 290 CB GLN A 18 117.152 -9.670 2.439 1.00 0.00 C ATOM 291 CG GLN A 18 116.155 -9.185 1.399 1.00 0.00 C ATOM 292 CD GLN A 18 116.640 -9.364 -0.027 1.00 0.00 C ATOM 293 OE1 GLN A 18 117.832 -9.285 -0.310 1.00 0.00 O ATOM 294 NE2 GLN A 18 115.715 -9.635 -0.932 1.00 0.00 N ATOM 0 H GLN A 18 117.198 -11.223 4.401 1.00 0.00 H new ATOM 0 HA GLN A 18 116.808 -11.592 1.576 1.00 0.00 H new ATOM 0 HB2 GLN A 18 116.755 -9.468 3.434 1.00 0.00 H new ATOM 0 HB3 GLN A 18 118.074 -9.097 2.342 1.00 0.00 H new ATOM 0 HG2 GLN A 18 115.216 -9.724 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 18 115.943 -8.130 1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 18 114.734 -9.692 -0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 18 115.982 -9.787 -1.905 1.00 0.00 H new ATOM 303 N VAL A 19 119.844 -11.213 2.824 1.00 0.00 N ATOM 304 CA VAL A 19 121.263 -11.418 2.548 1.00 0.00 C ATOM 305 C VAL A 19 121.525 -12.865 2.133 1.00 0.00 C ATOM 306 O VAL A 19 122.376 -13.134 1.283 1.00 0.00 O ATOM 307 CB VAL A 19 122.137 -11.067 3.776 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.616 -11.240 3.459 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.854 -9.648 4.243 1.00 0.00 C ATOM 0 H VAL A 19 119.637 -10.956 3.789 1.00 0.00 H new ATOM 0 HA VAL A 19 121.534 -10.751 1.730 1.00 0.00 H new ATOM 0 HB VAL A 19 121.881 -11.755 4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 19 124.209 -10.987 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.809 -12.275 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.891 -10.582 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 19 122.477 -9.418 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 19 122.078 -8.948 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.803 -9.559 4.519 1.00 0.00 H new ATOM 319 N ALA A 20 120.769 -13.787 2.724 1.00 0.00 N ATOM 320 CA ALA A 20 120.893 -15.207 2.408 1.00 0.00 C ATOM 321 C ALA A 20 120.601 -15.468 0.935 1.00 0.00 C ATOM 322 O ALA A 20 121.231 -16.318 0.305 1.00 0.00 O ATOM 323 CB ALA A 20 119.958 -16.026 3.284 1.00 0.00 C ATOM 0 H ALA A 20 120.061 -13.575 3.427 1.00 0.00 H new ATOM 0 HA ALA A 20 121.921 -15.510 2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 20 120.061 -17.083 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 20 120.213 -15.871 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 20 118.929 -15.712 3.111 1.00 0.00 H new ATOM 329 N LYS A 21 119.651 -14.721 0.385 1.00 0.00 N ATOM 330 CA LYS A 21 119.302 -14.837 -1.025 1.00 0.00 C ATOM 331 C LYS A 21 119.878 -13.659 -1.807 1.00 0.00 C ATOM 332 O LYS A 21 119.396 -13.328 -2.885 1.00 0.00 O ATOM 333 CB LYS A 21 117.778 -14.891 -1.203 1.00 0.00 C ATOM 334 CG LYS A 21 117.042 -13.713 -0.579 1.00 0.00 C ATOM 335 CD LYS A 21 115.547 -13.748 -0.873 1.00 0.00 C ATOM 336 CE LYS A 21 114.849 -14.914 -0.195 1.00 0.00 C ATOM 337 NZ LYS A 21 113.387 -14.920 -0.486 1.00 0.00 N ATOM 0 H LYS A 21 119.107 -14.026 0.897 1.00 0.00 H new ATOM 0 HA LYS A 21 119.729 -15.763 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.547 -14.928 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 21 117.403 -15.815 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.199 -13.719 0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 21 117.463 -12.782 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 21 115.093 -12.814 -0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 21 115.393 -13.813 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 21 115.292 -15.851 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 21 115.006 -14.857 0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 112.866 -15.232 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 113.081 -13.961 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 113.192 -15.572 -1.273 1.00 0.00 H new ATOM 351 N GLY A 22 120.934 -13.063 -1.265 1.00 0.00 N ATOM 352 CA GLY A 22 121.513 -11.862 -1.845 1.00 0.00 C ATOM 353 C GLY A 22 121.986 -12.038 -3.277 1.00 0.00 C ATOM 354 O GLY A 22 121.947 -11.094 -4.064 1.00 0.00 O ATOM 0 H GLY A 22 121.406 -13.394 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 22 120.774 -11.062 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.355 -11.543 -1.231 1.00 0.00 H new ATOM 358 N ALA A 23 122.436 -13.236 -3.623 1.00 0.00 N ATOM 359 CA ALA A 23 122.919 -13.503 -4.976 1.00 0.00 C ATOM 360 C ALA A 23 121.785 -13.946 -5.898 1.00 0.00 C ATOM 361 O ALA A 23 121.941 -13.992 -7.122 1.00 0.00 O ATOM 362 CB ALA A 23 124.018 -14.554 -4.943 1.00 0.00 C ATOM 0 H ALA A 23 122.478 -14.036 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 23 123.327 -12.575 -5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.370 -14.744 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 23 124.847 -14.195 -4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.626 -15.477 -4.516 1.00 0.00 H new ATOM 368 N ALA A 24 120.638 -14.255 -5.315 1.00 0.00 N ATOM 369 CA ALA A 24 119.506 -14.758 -6.080 1.00 0.00 C ATOM 370 C ALA A 24 118.444 -13.683 -6.256 1.00 0.00 C ATOM 371 O ALA A 24 118.000 -13.412 -7.372 1.00 0.00 O ATOM 372 CB ALA A 24 118.914 -15.986 -5.404 1.00 0.00 C ATOM 0 H ALA A 24 120.465 -14.167 -4.314 1.00 0.00 H new ATOM 0 HA ALA A 24 119.865 -15.042 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 24 118.069 -16.351 -5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 24 119.672 -16.766 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 24 118.576 -15.722 -4.402 1.00 0.00 H new ATOM 378 N GLY A 25 118.055 -13.062 -5.153 1.00 0.00 N ATOM 379 CA GLY A 25 117.007 -12.068 -5.187 1.00 0.00 C ATOM 380 C GLY A 25 115.641 -12.676 -4.951 1.00 0.00 C ATOM 381 O GLY A 25 115.488 -13.899 -4.971 1.00 0.00 O ATOM 0 H GLY A 25 118.451 -13.232 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.202 -11.309 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 25 117.017 -11.563 -6.153 1.00 0.00 H new ATOM 385 N GLU A 26 114.653 -11.832 -4.710 1.00 0.00 N ATOM 386 CA GLU A 26 113.288 -12.291 -4.523 1.00 0.00 C ATOM 387 C GLU A 26 112.318 -11.309 -5.163 1.00 0.00 C ATOM 388 O GLU A 26 112.606 -10.117 -5.260 1.00 0.00 O ATOM 389 CB GLU A 26 112.975 -12.462 -3.034 1.00 0.00 C ATOM 390 CG GLU A 26 112.988 -11.166 -2.243 1.00 0.00 C ATOM 391 CD GLU A 26 112.905 -11.408 -0.753 1.00 0.00 C ATOM 392 OE1 GLU A 26 112.379 -12.471 -0.350 1.00 0.00 O ATOM 393 OE2 GLU A 26 113.386 -10.550 0.012 1.00 0.00 O ATOM 0 H GLU A 26 114.772 -10.821 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 26 113.176 -13.262 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 26 111.995 -12.928 -2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 26 113.701 -13.148 -2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 26 113.899 -10.613 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 26 112.150 -10.543 -2.556 1.00 0.00 H new ATOM 400 N ALA A 27 111.182 -11.810 -5.612 1.00 0.00 N ATOM 401 CA ALA A 27 110.192 -10.969 -6.258 1.00 0.00 C ATOM 402 C ALA A 27 109.252 -10.359 -5.228 1.00 0.00 C ATOM 403 O ALA A 27 108.672 -11.072 -4.406 1.00 0.00 O ATOM 404 CB ALA A 27 109.413 -11.769 -7.292 1.00 0.00 C ATOM 0 H ALA A 27 110.922 -12.794 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 27 110.708 -10.156 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 27 108.674 -11.125 -7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.099 -12.154 -8.046 1.00 0.00 H new ATOM 0 HB3 ALA A 27 108.907 -12.601 -6.803 1.00 0.00 H new ATOM 410 N TRP A 28 109.117 -9.041 -5.269 1.00 0.00 N ATOM 411 CA TRP A 28 108.217 -8.329 -4.368 1.00 0.00 C ATOM 412 C TRP A 28 106.787 -8.461 -4.893 1.00 0.00 C ATOM 413 O TRP A 28 106.192 -7.502 -5.383 1.00 0.00 O ATOM 414 CB TRP A 28 108.643 -6.857 -4.272 1.00 0.00 C ATOM 415 CG TRP A 28 108.240 -6.167 -2.998 1.00 0.00 C ATOM 416 CD1 TRP A 28 107.575 -4.979 -2.885 1.00 0.00 C ATOM 417 CD2 TRP A 28 108.489 -6.616 -1.659 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.405 -4.656 -1.558 1.00 0.00 N ATOM 419 CE2 TRP A 28 107.952 -5.649 -0.787 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.114 -7.740 -1.113 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.022 -5.774 0.599 1.00 0.00 C ATOM 422 CZ3 TRP A 28 109.181 -7.865 0.263 1.00 0.00 C ATOM 423 CH2 TRP A 28 108.638 -6.887 1.106 1.00 0.00 C ATOM 0 H TRP A 28 109.622 -8.439 -5.920 1.00 0.00 H new ATOM 0 HA TRP A 28 108.263 -8.757 -3.367 1.00 0.00 H new ATOM 0 HB2 TRP A 28 109.727 -6.799 -4.373 1.00 0.00 H new ATOM 0 HB3 TRP A 28 108.215 -6.314 -5.114 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.233 -4.380 -3.716 1.00 0.00 H new ATOM 0 HE1 TRP A 28 106.947 -3.815 -1.206 1.00 0.00 H new ATOM 0 HE3 TRP A 28 109.538 -8.499 -1.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 107.605 -5.020 1.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 109.660 -8.731 0.695 1.00 0.00 H new ATOM 0 HH2 TRP A 28 108.706 -7.013 2.176 1.00 0.00 H new ATOM 434 N THR A 29 106.274 -9.682 -4.836 1.00 0.00 N ATOM 435 CA THR A 29 104.996 -10.026 -5.445 1.00 0.00 C ATOM 436 C THR A 29 103.814 -9.655 -4.563 1.00 0.00 C ATOM 437 O THR A 29 103.943 -9.541 -3.342 1.00 0.00 O ATOM 438 CB THR A 29 104.932 -11.534 -5.750 1.00 0.00 C ATOM 439 OG1 THR A 29 105.426 -12.279 -4.623 1.00 0.00 O ATOM 440 CG2 THR A 29 105.740 -11.878 -6.991 1.00 0.00 C ATOM 0 H THR A 29 106.732 -10.463 -4.366 1.00 0.00 H new ATOM 0 HA THR A 29 104.929 -9.450 -6.368 1.00 0.00 H new ATOM 0 HB THR A 29 103.892 -11.801 -5.938 1.00 0.00 H new ATOM 0 HG1 THR A 29 105.382 -13.238 -4.820 1.00 0.00 H new ATOM 0 HG21 THR A 29 105.676 -12.949 -7.181 1.00 0.00 H new ATOM 0 HG22 THR A 29 105.342 -11.333 -7.847 1.00 0.00 H new ATOM 0 HG23 THR A 29 106.782 -11.599 -6.836 1.00 0.00 H new ATOM 448 N GLY A 30 102.660 -9.476 -5.193 1.00 0.00 N ATOM 449 CA GLY A 30 101.442 -9.217 -4.457 1.00 0.00 C ATOM 450 C GLY A 30 101.098 -7.745 -4.408 1.00 0.00 C ATOM 451 O GLY A 30 100.193 -7.333 -3.679 1.00 0.00 O ATOM 0 H GLY A 30 102.548 -9.506 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.619 -9.764 -4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.548 -9.596 -3.441 1.00 0.00 H new ATOM 455 N VAL A 31 101.814 -6.950 -5.187 1.00 0.00 N ATOM 456 CA VAL A 31 101.579 -5.518 -5.210 1.00 0.00 C ATOM 457 C VAL A 31 100.545 -5.150 -6.269 1.00 0.00 C ATOM 458 O VAL A 31 100.862 -4.907 -7.432 1.00 0.00 O ATOM 459 CB VAL A 31 102.887 -4.725 -5.436 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.730 -4.726 -4.170 1.00 0.00 C ATOM 461 CG2 VAL A 31 103.685 -5.307 -6.596 1.00 0.00 C ATOM 0 H VAL A 31 102.558 -7.271 -5.807 1.00 0.00 H new ATOM 0 HA VAL A 31 101.187 -5.242 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 31 102.621 -3.698 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.648 -4.164 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.169 -4.262 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 31 103.979 -5.752 -3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 31 104.600 -4.731 -6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 31 103.939 -6.345 -6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 31 103.088 -5.263 -7.507 1.00 0.00 H new ATOM 471 N ARG A 32 99.290 -5.124 -5.852 1.00 0.00 N ATOM 472 CA ARG A 32 98.200 -4.765 -6.747 1.00 0.00 C ATOM 473 C ARG A 32 97.815 -3.308 -6.530 1.00 0.00 C ATOM 474 O ARG A 32 96.961 -2.759 -7.227 1.00 0.00 O ATOM 475 CB ARG A 32 96.995 -5.679 -6.515 1.00 0.00 C ATOM 476 CG ARG A 32 97.342 -7.159 -6.569 1.00 0.00 C ATOM 477 CD ARG A 32 96.107 -8.031 -6.425 1.00 0.00 C ATOM 478 NE ARG A 32 96.454 -9.437 -6.224 1.00 0.00 N ATOM 479 CZ ARG A 32 95.783 -10.455 -6.755 1.00 0.00 C ATOM 480 NH1 ARG A 32 94.746 -10.229 -7.552 1.00 0.00 N ATOM 481 NH2 ARG A 32 96.157 -11.702 -6.493 1.00 0.00 N ATOM 0 H ARG A 32 99.000 -5.347 -4.900 1.00 0.00 H new ATOM 0 HA ARG A 32 98.530 -4.893 -7.778 1.00 0.00 H new ATOM 0 HB2 ARG A 32 96.557 -5.451 -5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 32 96.235 -5.464 -7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 32 97.837 -7.382 -7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 32 98.050 -7.396 -5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 32 95.511 -7.680 -5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 32 95.488 -7.934 -7.317 1.00 0.00 H new ATOM 0 HE ARG A 32 97.262 -9.651 -5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 32 94.461 -9.272 -7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 32 94.234 -11.013 -7.957 1.00 0.00 H new ATOM 0 HH21 ARG A 32 96.957 -11.877 -5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 32 95.644 -12.484 -6.899 1.00 0.00 H new ATOM 495 N ASN A 33 98.466 -2.682 -5.560 1.00 0.00 N ATOM 496 CA ASN A 33 98.206 -1.287 -5.248 1.00 0.00 C ATOM 497 C ASN A 33 98.879 -0.402 -6.290 1.00 0.00 C ATOM 498 O ASN A 33 100.083 -0.510 -6.525 1.00 0.00 O ATOM 499 CB ASN A 33 98.709 -0.949 -3.841 1.00 0.00 C ATOM 500 CG ASN A 33 98.054 0.297 -3.276 1.00 0.00 C ATOM 501 OD1 ASN A 33 96.983 0.223 -2.676 1.00 0.00 O ATOM 502 ND2 ASN A 33 98.696 1.442 -3.439 1.00 0.00 N ATOM 0 H ASN A 33 99.178 -3.120 -4.976 1.00 0.00 H new ATOM 0 HA ASN A 33 97.131 -1.107 -5.271 1.00 0.00 H new ATOM 0 HB2 ASN A 33 98.515 -1.791 -3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 33 99.789 -0.807 -3.869 1.00 0.00 H new ATOM 0 HD21 ASN A 33 98.304 2.305 -3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 33 99.583 1.462 -3.943 1.00 0.00 H new ATOM 509 N HIS A 34 98.091 0.473 -6.901 1.00 0.00 N ATOM 510 CA HIS A 34 98.527 1.254 -8.058 1.00 0.00 C ATOM 511 C HIS A 34 99.769 2.091 -7.762 1.00 0.00 C ATOM 512 O HIS A 34 100.645 2.215 -8.616 1.00 0.00 O ATOM 513 CB HIS A 34 97.389 2.148 -8.560 1.00 0.00 C ATOM 514 CG HIS A 34 96.324 1.406 -9.317 1.00 0.00 C ATOM 515 ND1 HIS A 34 95.888 0.143 -8.972 1.00 0.00 N ATOM 516 CD2 HIS A 34 95.621 1.751 -10.422 1.00 0.00 C ATOM 517 CE1 HIS A 34 94.969 -0.256 -9.832 1.00 0.00 C ATOM 518 NE2 HIS A 34 94.785 0.702 -10.721 1.00 0.00 N ATOM 0 H HIS A 34 97.132 0.663 -6.611 1.00 0.00 H new ATOM 0 HA HIS A 34 98.797 0.544 -8.839 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.932 2.652 -7.708 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.805 2.924 -9.203 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.702 2.679 -10.968 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.455 -1.206 -9.811 1.00 0.00 H new ATOM 0 HE2 HIS A 34 94.130 0.669 -11.502 1.00 0.00 H new ATOM 527 N SER A 35 99.853 2.647 -6.556 1.00 0.00 N ATOM 528 CA SER A 35 101.007 3.441 -6.159 1.00 0.00 C ATOM 529 C SER A 35 102.300 2.644 -6.346 1.00 0.00 C ATOM 530 O SER A 35 103.267 3.130 -6.937 1.00 0.00 O ATOM 531 CB SER A 35 100.851 3.861 -4.699 1.00 0.00 C ATOM 532 OG SER A 35 99.503 4.208 -4.423 1.00 0.00 O ATOM 0 H SER A 35 99.134 2.561 -5.838 1.00 0.00 H new ATOM 0 HA SER A 35 101.063 4.329 -6.789 1.00 0.00 H new ATOM 0 HB2 SER A 35 101.164 3.047 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.502 4.709 -4.487 1.00 0.00 H new ATOM 0 HG SER A 35 99.419 4.473 -3.483 1.00 0.00 H new ATOM 538 N ALA A 36 102.293 1.401 -5.874 1.00 0.00 N ATOM 539 CA ALA A 36 103.465 0.541 -5.955 1.00 0.00 C ATOM 540 C ALA A 36 103.768 0.175 -7.403 1.00 0.00 C ATOM 541 O ALA A 36 104.923 0.210 -7.829 1.00 0.00 O ATOM 542 CB ALA A 36 103.256 -0.714 -5.121 1.00 0.00 C ATOM 0 H ALA A 36 101.484 0.967 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 36 104.320 1.087 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.140 -1.348 -5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 36 103.090 -0.436 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.388 -1.258 -5.494 1.00 0.00 H new ATOM 548 N LYS A 37 102.721 -0.153 -8.154 1.00 0.00 N ATOM 549 CA LYS A 37 102.866 -0.528 -9.556 1.00 0.00 C ATOM 550 C LYS A 37 103.541 0.584 -10.354 1.00 0.00 C ATOM 551 O LYS A 37 104.513 0.345 -11.070 1.00 0.00 O ATOM 552 CB LYS A 37 101.503 -0.839 -10.183 1.00 0.00 C ATOM 553 CG LYS A 37 101.603 -1.210 -11.655 1.00 0.00 C ATOM 554 CD LYS A 37 100.259 -1.153 -12.358 1.00 0.00 C ATOM 555 CE LYS A 37 100.428 -1.327 -13.861 1.00 0.00 C ATOM 556 NZ LYS A 37 99.144 -1.192 -14.592 1.00 0.00 N ATOM 0 H LYS A 37 101.760 -0.167 -7.813 1.00 0.00 H new ATOM 0 HA LYS A 37 103.490 -1.421 -9.589 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.035 -1.659 -9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.852 0.028 -10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 37 102.299 -0.533 -12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.016 -2.215 -11.747 1.00 0.00 H new ATOM 0 HD2 LYS A 37 99.606 -1.934 -11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.775 -0.199 -12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 37 101.135 -0.585 -14.233 1.00 0.00 H new ATOM 0 HE3 LYS A 37 100.858 -2.308 -14.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 99.326 -0.831 -15.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 98.681 -2.121 -14.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 98.524 -0.529 -14.085 1.00 0.00 H new ATOM 570 N LEU A 38 103.020 1.800 -10.216 1.00 0.00 N ATOM 571 CA LEU A 38 103.533 2.948 -10.956 1.00 0.00 C ATOM 572 C LEU A 38 104.998 3.209 -10.632 1.00 0.00 C ATOM 573 O LEU A 38 105.784 3.546 -11.516 1.00 0.00 O ATOM 574 CB LEU A 38 102.696 4.199 -10.669 1.00 0.00 C ATOM 575 CG LEU A 38 101.499 4.423 -11.603 1.00 0.00 C ATOM 576 CD1 LEU A 38 100.544 3.239 -11.571 1.00 0.00 C ATOM 577 CD2 LEU A 38 100.769 5.704 -11.228 1.00 0.00 C ATOM 0 H LEU A 38 102.240 2.016 -9.596 1.00 0.00 H new ATOM 0 HA LEU A 38 103.458 2.713 -12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 38 102.329 4.142 -9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 38 103.347 5.071 -10.726 1.00 0.00 H new ATOM 0 HG LEU A 38 101.879 4.518 -12.620 1.00 0.00 H new ATOM 0 HD11 LEU A 38 99.707 3.428 -12.243 1.00 0.00 H new ATOM 0 HD12 LEU A 38 101.069 2.339 -11.891 1.00 0.00 H new ATOM 0 HD13 LEU A 38 100.171 3.100 -10.556 1.00 0.00 H new ATOM 0 HD21 LEU A 38 99.922 5.850 -11.899 1.00 0.00 H new ATOM 0 HD22 LEU A 38 100.410 5.631 -10.201 1.00 0.00 H new ATOM 0 HD23 LEU A 38 101.451 6.550 -11.315 1.00 0.00 H new ATOM 589 N HIS A 39 105.371 3.031 -9.370 1.00 0.00 N ATOM 590 CA HIS A 39 106.758 3.230 -8.968 1.00 0.00 C ATOM 591 C HIS A 39 107.652 2.128 -9.536 1.00 0.00 C ATOM 592 O HIS A 39 108.813 2.368 -9.856 1.00 0.00 O ATOM 593 CB HIS A 39 106.892 3.302 -7.443 1.00 0.00 C ATOM 594 CG HIS A 39 106.289 4.538 -6.841 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.509 5.805 -7.335 1.00 0.00 N ATOM 596 CD2 HIS A 39 105.456 4.696 -5.785 1.00 0.00 C ATOM 597 CE1 HIS A 39 105.842 6.682 -6.612 1.00 0.00 C ATOM 598 NE2 HIS A 39 105.190 6.038 -5.665 1.00 0.00 N ATOM 0 H HIS A 39 104.742 2.753 -8.617 1.00 0.00 H new ATOM 0 HA HIS A 39 107.087 4.185 -9.378 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.416 2.425 -7.004 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.948 3.258 -7.178 1.00 0.00 H new ATOM 0 HD2 HIS A 39 105.071 3.910 -5.152 1.00 0.00 H new ATOM 0 HE1 HIS A 39 105.831 7.750 -6.769 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.588 6.465 -4.961 1.00 0.00 H new ATOM 607 N MET A 40 107.098 0.925 -9.686 1.00 0.00 N ATOM 608 CA MET A 40 107.842 -0.190 -10.270 1.00 0.00 C ATOM 609 C MET A 40 108.078 0.022 -11.761 1.00 0.00 C ATOM 610 O MET A 40 109.082 -0.429 -12.304 1.00 0.00 O ATOM 611 CB MET A 40 107.116 -1.517 -10.060 1.00 0.00 C ATOM 612 CG MET A 40 107.283 -2.102 -8.670 1.00 0.00 C ATOM 613 SD MET A 40 106.561 -3.748 -8.537 1.00 0.00 S ATOM 614 CE MET A 40 107.067 -4.221 -6.887 1.00 0.00 C ATOM 0 H MET A 40 106.142 0.699 -9.413 1.00 0.00 H new ATOM 0 HA MET A 40 108.804 -0.228 -9.758 1.00 0.00 H new ATOM 0 HB2 MET A 40 106.054 -1.373 -10.256 1.00 0.00 H new ATOM 0 HB3 MET A 40 107.480 -2.238 -10.792 1.00 0.00 H new ATOM 0 HG2 MET A 40 108.343 -2.151 -8.422 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.815 -1.441 -7.940 1.00 0.00 H new ATOM 0 HE1 MET A 40 107.118 -5.308 -6.820 1.00 0.00 H new ATOM 0 HE2 MET A 40 108.048 -3.797 -6.672 1.00 0.00 H new ATOM 0 HE3 MET A 40 106.343 -3.846 -6.163 1.00 0.00 H new ATOM 624 N VAL A 41 107.147 0.701 -12.422 1.00 0.00 N ATOM 625 CA VAL A 41 107.290 1.008 -13.842 1.00 0.00 C ATOM 626 C VAL A 41 108.509 1.902 -14.070 1.00 0.00 C ATOM 627 O VAL A 41 109.187 1.812 -15.099 1.00 0.00 O ATOM 628 CB VAL A 41 106.022 1.695 -14.406 1.00 0.00 C ATOM 629 CG1 VAL A 41 106.181 2.011 -15.886 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.795 0.823 -14.179 1.00 0.00 C ATOM 0 H VAL A 41 106.287 1.049 -11.999 1.00 0.00 H new ATOM 0 HA VAL A 41 107.428 0.065 -14.371 1.00 0.00 H new ATOM 0 HB VAL A 41 105.886 2.635 -13.872 1.00 0.00 H new ATOM 0 HG11 VAL A 41 105.275 2.493 -16.255 1.00 0.00 H new ATOM 0 HG12 VAL A 41 107.030 2.680 -16.026 1.00 0.00 H new ATOM 0 HG13 VAL A 41 106.351 1.087 -16.439 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.914 1.323 -14.582 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.931 -0.134 -14.682 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.660 0.656 -13.110 1.00 0.00 H new ATOM 640 N ALA A 42 108.793 2.751 -13.092 1.00 0.00 N ATOM 641 CA ALA A 42 109.961 3.613 -13.145 1.00 0.00 C ATOM 642 C ALA A 42 111.217 2.837 -12.764 1.00 0.00 C ATOM 643 O ALA A 42 112.305 3.111 -13.276 1.00 0.00 O ATOM 644 CB ALA A 42 109.776 4.810 -12.229 1.00 0.00 C ATOM 0 H ALA A 42 108.227 2.860 -12.250 1.00 0.00 H new ATOM 0 HA ALA A 42 110.078 3.974 -14.167 1.00 0.00 H new ATOM 0 HB1 ALA A 42 110.659 5.447 -12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 42 108.901 5.378 -12.545 1.00 0.00 H new ATOM 0 HB3 ALA A 42 109.635 4.466 -11.204 1.00 0.00 H new ATOM 650 N MET A 43 111.051 1.868 -11.868 1.00 0.00 N ATOM 651 CA MET A 43 112.156 1.033 -11.404 1.00 0.00 C ATOM 652 C MET A 43 112.789 0.257 -12.547 1.00 0.00 C ATOM 653 O MET A 43 112.102 -0.401 -13.329 1.00 0.00 O ATOM 654 CB MET A 43 111.682 0.037 -10.345 1.00 0.00 C ATOM 655 CG MET A 43 111.385 0.655 -8.992 1.00 0.00 C ATOM 656 SD MET A 43 110.754 -0.557 -7.813 1.00 0.00 S ATOM 657 CE MET A 43 110.727 0.417 -6.316 1.00 0.00 C ATOM 0 H MET A 43 110.152 1.640 -11.445 1.00 0.00 H new ATOM 0 HA MET A 43 112.897 1.706 -10.974 1.00 0.00 H new ATOM 0 HB2 MET A 43 110.783 -0.461 -10.709 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.444 -0.732 -10.220 1.00 0.00 H new ATOM 0 HG2 MET A 43 112.293 1.108 -8.594 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.656 1.456 -9.112 1.00 0.00 H new ATOM 0 HE1 MET A 43 110.197 -0.130 -5.536 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.749 0.614 -5.991 1.00 0.00 H new ATOM 0 HE3 MET A 43 110.218 1.362 -6.506 1.00 0.00 H new ATOM 667 N ARG A 44 114.100 0.342 -12.639 1.00 0.00 N ATOM 668 CA ARG A 44 114.854 -0.443 -13.595 1.00 0.00 C ATOM 669 C ARG A 44 115.995 -1.159 -12.889 1.00 0.00 C ATOM 670 O ARG A 44 116.217 -0.966 -11.695 1.00 0.00 O ATOM 671 CB ARG A 44 115.411 0.448 -14.706 1.00 0.00 C ATOM 672 CG ARG A 44 114.363 0.930 -15.691 1.00 0.00 C ATOM 673 CD ARG A 44 114.990 1.790 -16.772 1.00 0.00 C ATOM 674 NE ARG A 44 114.117 1.942 -17.934 1.00 0.00 N ATOM 675 CZ ARG A 44 114.548 1.855 -19.190 1.00 0.00 C ATOM 676 NH1 ARG A 44 115.839 1.661 -19.436 1.00 0.00 N ATOM 677 NH2 ARG A 44 113.697 1.969 -20.201 1.00 0.00 N ATOM 0 H ARG A 44 114.671 0.954 -12.056 1.00 0.00 H new ATOM 0 HA ARG A 44 114.186 -1.179 -14.042 1.00 0.00 H new ATOM 0 HB2 ARG A 44 115.897 1.313 -14.255 1.00 0.00 H new ATOM 0 HB3 ARG A 44 116.180 -0.102 -15.249 1.00 0.00 H new ATOM 0 HG2 ARG A 44 113.865 0.074 -16.146 1.00 0.00 H new ATOM 0 HG3 ARG A 44 113.599 1.501 -15.164 1.00 0.00 H new ATOM 0 HD2 ARG A 44 115.221 2.773 -16.363 1.00 0.00 H new ATOM 0 HD3 ARG A 44 115.934 1.345 -17.085 1.00 0.00 H new ATOM 0 HE ARG A 44 113.126 2.124 -17.774 1.00 0.00 H new ATOM 0 HH11 ARG A 44 116.499 1.579 -18.663 1.00 0.00 H new ATOM 0 HH12 ARG A 44 116.170 1.594 -20.398 1.00 0.00 H new ATOM 0 HH21 ARG A 44 112.706 2.124 -20.018 1.00 0.00 H new ATOM 0 HH22 ARG A 44 114.034 1.901 -21.161 1.00 0.00 H new ATOM 691 N ARG A 45 116.705 -1.993 -13.625 1.00 0.00 N ATOM 692 CA ARG A 45 117.888 -2.652 -13.097 1.00 0.00 C ATOM 693 C ARG A 45 118.950 -1.616 -12.758 1.00 0.00 C ATOM 694 O ARG A 45 119.422 -0.895 -13.640 1.00 0.00 O ATOM 695 CB ARG A 45 118.430 -3.649 -14.114 1.00 0.00 C ATOM 696 CG ARG A 45 117.794 -5.022 -14.035 1.00 0.00 C ATOM 697 CD ARG A 45 118.415 -5.966 -15.048 1.00 0.00 C ATOM 698 NE ARG A 45 117.890 -7.323 -14.945 1.00 0.00 N ATOM 699 CZ ARG A 45 117.321 -7.978 -15.953 1.00 0.00 C ATOM 700 NH1 ARG A 45 117.133 -7.373 -17.121 1.00 0.00 N ATOM 701 NH2 ARG A 45 116.942 -9.236 -15.788 1.00 0.00 N ATOM 0 H ARG A 45 116.484 -2.231 -14.592 1.00 0.00 H new ATOM 0 HA ARG A 45 117.619 -3.191 -12.189 1.00 0.00 H new ATOM 0 HB2 ARG A 45 118.279 -3.248 -15.116 1.00 0.00 H new ATOM 0 HB3 ARG A 45 119.506 -3.750 -13.970 1.00 0.00 H new ATOM 0 HG2 ARG A 45 117.918 -5.427 -13.031 1.00 0.00 H new ATOM 0 HG3 ARG A 45 116.722 -4.942 -14.216 1.00 0.00 H new ATOM 0 HD2 ARG A 45 118.233 -5.585 -16.053 1.00 0.00 H new ATOM 0 HD3 ARG A 45 119.495 -5.987 -14.905 1.00 0.00 H new ATOM 0 HE ARG A 45 117.964 -7.798 -14.046 1.00 0.00 H new ATOM 0 HH11 ARG A 45 117.425 -6.404 -17.246 1.00 0.00 H new ATOM 0 HH12 ARG A 45 116.696 -7.878 -17.892 1.00 0.00 H new ATOM 0 HH21 ARG A 45 117.087 -9.699 -14.891 1.00 0.00 H new ATOM 0 HH22 ARG A 45 116.505 -9.742 -16.558 1.00 0.00 H new ATOM 715 N GLY A 46 119.312 -1.535 -11.484 1.00 0.00 N ATOM 716 CA GLY A 46 120.248 -0.519 -11.054 1.00 0.00 C ATOM 717 C GLY A 46 119.625 0.429 -10.052 1.00 0.00 C ATOM 718 O GLY A 46 120.332 1.098 -9.296 1.00 0.00 O ATOM 0 H GLY A 46 118.975 -2.152 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.122 -0.995 -10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 46 120.597 0.044 -11.920 1.00 0.00 H new ATOM 722 N ASP A 47 118.295 0.494 -10.058 1.00 0.00 N ATOM 723 CA ASP A 47 117.562 1.282 -9.075 1.00 0.00 C ATOM 724 C ASP A 47 117.802 0.722 -7.685 1.00 0.00 C ATOM 725 O ASP A 47 117.796 -0.495 -7.484 1.00 0.00 O ATOM 726 CB ASP A 47 116.061 1.288 -9.380 1.00 0.00 C ATOM 727 CG ASP A 47 115.685 2.252 -10.484 1.00 0.00 C ATOM 728 OD1 ASP A 47 116.060 2.015 -11.646 1.00 0.00 O ATOM 729 OD2 ASP A 47 114.998 3.253 -10.196 1.00 0.00 O ATOM 0 H ASP A 47 117.705 0.009 -10.734 1.00 0.00 H new ATOM 0 HA ASP A 47 117.924 2.309 -9.123 1.00 0.00 H new ATOM 0 HB2 ASP A 47 115.749 0.282 -9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 47 115.513 1.550 -8.475 1.00 0.00 H new ATOM 734 N ARG A 48 118.021 1.603 -6.727 1.00 0.00 N ATOM 735 CA ARG A 48 118.357 1.182 -5.381 1.00 0.00 C ATOM 736 C ARG A 48 117.377 1.762 -4.375 1.00 0.00 C ATOM 737 O ARG A 48 116.999 2.926 -4.460 1.00 0.00 O ATOM 738 CB ARG A 48 119.793 1.586 -5.045 1.00 0.00 C ATOM 739 CG ARG A 48 120.828 0.817 -5.850 1.00 0.00 C ATOM 740 CD ARG A 48 122.223 1.389 -5.671 1.00 0.00 C ATOM 741 NE ARG A 48 123.227 0.596 -6.381 1.00 0.00 N ATOM 742 CZ ARG A 48 123.778 0.950 -7.544 1.00 0.00 C ATOM 743 NH1 ARG A 48 123.408 2.076 -8.150 1.00 0.00 N ATOM 744 NH2 ARG A 48 124.690 0.164 -8.105 1.00 0.00 N ATOM 0 H ARG A 48 117.972 2.614 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 48 118.285 0.096 -5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 48 119.917 2.653 -5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 48 119.972 1.422 -3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 48 120.822 -0.229 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 48 120.558 0.841 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 48 122.245 2.416 -6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.469 1.423 -4.610 1.00 0.00 H new ATOM 0 HE ARG A 48 123.525 -0.284 -5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 48 122.699 2.674 -7.726 1.00 0.00 H new ATOM 0 HH12 ARG A 48 123.833 2.340 -9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 48 124.966 -0.705 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 48 125.115 0.429 -8.994 1.00 0.00 H new ATOM 758 N ALA A 49 116.968 0.936 -3.429 1.00 0.00 N ATOM 759 CA ALA A 49 115.976 1.326 -2.444 1.00 0.00 C ATOM 760 C ALA A 49 116.513 1.151 -1.032 1.00 0.00 C ATOM 761 O ALA A 49 117.468 0.409 -0.812 1.00 0.00 O ATOM 762 CB ALA A 49 114.708 0.505 -2.628 1.00 0.00 C ATOM 0 H ALA A 49 117.312 -0.018 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 49 115.744 2.381 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 49 113.969 0.805 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.307 0.675 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 49 114.939 -0.553 -2.504 1.00 0.00 H new ATOM 768 N PHE A 50 115.906 1.846 -0.083 1.00 0.00 N ATOM 769 CA PHE A 50 116.249 1.682 1.319 1.00 0.00 C ATOM 770 C PHE A 50 115.394 0.589 1.937 1.00 0.00 C ATOM 771 O PHE A 50 114.170 0.584 1.780 1.00 0.00 O ATOM 772 CB PHE A 50 116.046 2.979 2.104 1.00 0.00 C ATOM 773 CG PHE A 50 117.123 4.011 1.916 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.458 3.681 2.093 1.00 0.00 C ATOM 775 CD2 PHE A 50 116.795 5.319 1.602 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.445 4.637 1.952 1.00 0.00 C ATOM 777 CE2 PHE A 50 117.778 6.278 1.456 1.00 0.00 C ATOM 778 CZ PHE A 50 119.106 5.937 1.634 1.00 0.00 C ATOM 0 H PHE A 50 115.171 2.531 -0.260 1.00 0.00 H new ATOM 0 HA PHE A 50 117.303 1.409 1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.091 3.416 1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.977 2.737 3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.729 2.666 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 50 115.759 5.592 1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.482 4.368 2.090 1.00 0.00 H new ATOM 0 HE2 PHE A 50 117.510 7.293 1.203 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.876 6.686 1.525 1.00 0.00 H new ATOM 788 N TYR A 51 116.038 -0.339 2.622 1.00 0.00 N ATOM 789 CA TYR A 51 115.334 -1.401 3.313 1.00 0.00 C ATOM 790 C TYR A 51 114.985 -0.947 4.727 1.00 0.00 C ATOM 791 O TYR A 51 115.835 -0.946 5.624 1.00 0.00 O ATOM 792 CB TYR A 51 116.187 -2.673 3.341 1.00 0.00 C ATOM 793 CG TYR A 51 115.456 -3.896 3.845 1.00 0.00 C ATOM 794 CD1 TYR A 51 114.705 -4.686 2.983 1.00 0.00 C ATOM 795 CD2 TYR A 51 115.523 -4.266 5.181 1.00 0.00 C ATOM 796 CE1 TYR A 51 114.039 -5.806 3.440 1.00 0.00 C ATOM 797 CE2 TYR A 51 114.862 -5.384 5.644 1.00 0.00 C ATOM 798 CZ TYR A 51 114.123 -6.152 4.772 1.00 0.00 C ATOM 799 OH TYR A 51 113.457 -7.263 5.238 1.00 0.00 O ATOM 0 H TYR A 51 117.053 -0.377 2.714 1.00 0.00 H new ATOM 0 HA TYR A 51 114.410 -1.628 2.781 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.556 -2.872 2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 51 117.059 -2.499 3.971 1.00 0.00 H new ATOM 0 HD1 TYR A 51 114.641 -4.420 1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 51 116.102 -3.668 5.869 1.00 0.00 H new ATOM 0 HE1 TYR A 51 113.456 -6.407 2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 51 114.924 -5.657 6.687 1.00 0.00 H new ATOM 0 HH TYR A 51 113.286 -7.163 6.198 1.00 0.00 H new ATOM 809 N TYR A 52 113.741 -0.541 4.906 1.00 0.00 N ATOM 810 CA TYR A 52 113.280 0.010 6.171 1.00 0.00 C ATOM 811 C TYR A 52 112.370 -0.978 6.887 1.00 0.00 C ATOM 812 O TYR A 52 111.363 -1.419 6.336 1.00 0.00 O ATOM 813 CB TYR A 52 112.542 1.328 5.906 1.00 0.00 C ATOM 814 CG TYR A 52 111.922 1.976 7.128 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.669 2.802 7.958 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.581 1.774 7.439 1.00 0.00 C ATOM 817 CE1 TYR A 52 112.100 3.406 9.064 1.00 0.00 C ATOM 818 CE2 TYR A 52 110.004 2.377 8.539 1.00 0.00 C ATOM 819 CZ TYR A 52 110.768 3.192 9.348 1.00 0.00 C ATOM 820 OH TYR A 52 110.198 3.798 10.443 1.00 0.00 O ATOM 0 H TYR A 52 113.023 -0.583 4.183 1.00 0.00 H new ATOM 0 HA TYR A 52 114.139 0.200 6.815 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.241 2.033 5.455 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.756 1.145 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.712 2.975 7.736 1.00 0.00 H new ATOM 0 HD2 TYR A 52 109.981 1.134 6.809 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.696 4.042 9.702 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.961 2.212 8.765 1.00 0.00 H new ATOM 0 HH TYR A 52 109.253 3.545 10.502 1.00 0.00 H new ATOM 830 N HIS A 53 112.730 -1.331 8.113 1.00 0.00 N ATOM 831 CA HIS A 53 111.902 -2.219 8.916 1.00 0.00 C ATOM 832 C HIS A 53 110.885 -1.421 9.712 1.00 0.00 C ATOM 833 O HIS A 53 111.222 -0.414 10.317 1.00 0.00 O ATOM 834 CB HIS A 53 112.752 -3.074 9.861 1.00 0.00 C ATOM 835 CG HIS A 53 113.141 -4.396 9.267 1.00 0.00 C ATOM 836 ND1 HIS A 53 114.294 -5.073 9.599 1.00 0.00 N ATOM 837 CD2 HIS A 53 112.492 -5.185 8.376 1.00 0.00 C ATOM 838 CE1 HIS A 53 114.338 -6.217 8.939 1.00 0.00 C ATOM 839 NE2 HIS A 53 113.255 -6.307 8.190 1.00 0.00 N ATOM 0 H HIS A 53 113.586 -1.018 8.571 1.00 0.00 H new ATOM 0 HA HIS A 53 111.377 -2.887 8.234 1.00 0.00 H new ATOM 0 HB2 HIS A 53 113.654 -2.523 10.128 1.00 0.00 H new ATOM 0 HB3 HIS A 53 112.198 -3.246 10.784 1.00 0.00 H new ATOM 0 HD1 HIS A 53 115.004 -4.742 10.253 1.00 0.00 H new ATOM 0 HD2 HIS A 53 111.547 -4.969 7.900 1.00 0.00 H new ATOM 0 HE1 HIS A 53 115.126 -6.953 9.002 1.00 0.00 H new ATOM 848 N SER A 54 109.641 -1.868 9.688 1.00 0.00 N ATOM 849 CA SER A 54 108.577 -1.223 10.440 1.00 0.00 C ATOM 850 C SER A 54 108.231 -2.045 11.682 1.00 0.00 C ATOM 851 O SER A 54 108.776 -3.131 11.880 1.00 0.00 O ATOM 852 CB SER A 54 107.351 -1.048 9.545 1.00 0.00 C ATOM 853 OG SER A 54 107.698 -0.368 8.348 1.00 0.00 O ATOM 0 H SER A 54 109.341 -2.682 9.151 1.00 0.00 H new ATOM 0 HA SER A 54 108.914 -0.240 10.770 1.00 0.00 H new ATOM 0 HB2 SER A 54 106.927 -2.023 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 54 106.582 -0.488 10.078 1.00 0.00 H new ATOM 0 HG SER A 54 108.354 0.332 8.548 1.00 0.00 H new ATOM 859 N ASN A 55 107.333 -1.516 12.508 1.00 0.00 N ATOM 860 CA ASN A 55 106.915 -2.158 13.760 1.00 0.00 C ATOM 861 C ASN A 55 108.078 -2.251 14.740 1.00 0.00 C ATOM 862 O ASN A 55 108.416 -1.268 15.397 1.00 0.00 O ATOM 863 CB ASN A 55 106.313 -3.556 13.532 1.00 0.00 C ATOM 864 CG ASN A 55 105.122 -3.555 12.595 1.00 0.00 C ATOM 865 OD1 ASN A 55 104.402 -2.564 12.476 1.00 0.00 O ATOM 866 ND2 ASN A 55 104.895 -4.681 11.940 1.00 0.00 N ATOM 0 H ASN A 55 106.870 -0.625 12.331 1.00 0.00 H new ATOM 0 HA ASN A 55 106.135 -1.526 14.185 1.00 0.00 H new ATOM 0 HB2 ASN A 55 107.083 -4.213 13.128 1.00 0.00 H new ATOM 0 HB3 ASN A 55 106.010 -3.973 14.492 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.098 -4.751 11.307 1.00 0.00 H new ATOM 0 HD22 ASN A 55 105.517 -5.479 12.067 1.00 0.00 H new ATOM 873 N GLU A 56 108.713 -3.415 14.817 1.00 0.00 N ATOM 874 CA GLU A 56 109.806 -3.609 15.758 1.00 0.00 C ATOM 875 C GLU A 56 111.143 -3.286 15.101 1.00 0.00 C ATOM 876 O GLU A 56 111.812 -4.147 14.530 1.00 0.00 O ATOM 877 CB GLU A 56 109.792 -5.025 16.356 1.00 0.00 C ATOM 878 CG GLU A 56 109.780 -6.150 15.332 1.00 0.00 C ATOM 879 CD GLU A 56 109.817 -7.520 15.977 1.00 0.00 C ATOM 880 OE1 GLU A 56 110.862 -7.885 16.551 1.00 0.00 O ATOM 881 OE2 GLU A 56 108.791 -8.233 15.925 1.00 0.00 O ATOM 0 H GLU A 56 108.492 -4.230 14.245 1.00 0.00 H new ATOM 0 HA GLU A 56 109.665 -2.916 16.587 1.00 0.00 H new ATOM 0 HB2 GLU A 56 110.667 -5.143 16.995 1.00 0.00 H new ATOM 0 HB3 GLU A 56 108.915 -5.125 16.996 1.00 0.00 H new ATOM 0 HG2 GLU A 56 108.885 -6.066 14.715 1.00 0.00 H new ATOM 0 HG3 GLU A 56 110.637 -6.041 14.667 1.00 0.00 H new ATOM 888 N GLY A 57 111.490 -2.016 15.140 1.00 0.00 N ATOM 889 CA GLY A 57 112.743 -1.562 14.593 1.00 0.00 C ATOM 890 C GLY A 57 112.642 -0.134 14.125 1.00 0.00 C ATOM 891 O GLY A 57 113.229 0.766 14.726 1.00 0.00 O ATOM 0 H GLY A 57 110.915 -1.279 15.548 1.00 0.00 H new ATOM 0 HA2 GLY A 57 113.525 -1.647 15.347 1.00 0.00 H new ATOM 0 HA3 GLY A 57 113.033 -2.202 13.760 1.00 0.00 H new ATOM 895 N LYS A 58 111.857 0.070 13.069 1.00 0.00 N ATOM 896 CA LYS A 58 111.685 1.385 12.461 1.00 0.00 C ATOM 897 C LYS A 58 113.036 2.018 12.161 1.00 0.00 C ATOM 898 O LYS A 58 113.368 3.091 12.665 1.00 0.00 O ATOM 899 CB LYS A 58 110.817 2.289 13.342 1.00 0.00 C ATOM 900 CG LYS A 58 109.340 1.921 13.294 1.00 0.00 C ATOM 901 CD LYS A 58 108.486 2.894 14.090 1.00 0.00 C ATOM 902 CE LYS A 58 108.560 2.621 15.583 1.00 0.00 C ATOM 903 NZ LYS A 58 107.947 1.318 15.940 1.00 0.00 N ATOM 0 H LYS A 58 111.324 -0.670 12.613 1.00 0.00 H new ATOM 0 HA LYS A 58 111.161 1.260 11.513 1.00 0.00 H new ATOM 0 HB2 LYS A 58 111.168 2.229 14.372 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.939 3.324 13.023 1.00 0.00 H new ATOM 0 HG2 LYS A 58 109.003 1.907 12.257 1.00 0.00 H new ATOM 0 HG3 LYS A 58 109.204 0.913 13.687 1.00 0.00 H new ATOM 0 HD2 LYS A 58 108.815 3.914 13.890 1.00 0.00 H new ATOM 0 HD3 LYS A 58 107.450 2.823 13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 58 109.602 2.631 15.902 1.00 0.00 H new ATOM 0 HE3 LYS A 58 108.053 3.420 16.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 107.787 1.279 16.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 107.039 1.214 15.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 108.585 0.546 15.660 1.00 0.00 H new ATOM 917 N GLU A 59 113.813 1.328 11.336 1.00 0.00 N ATOM 918 CA GLU A 59 115.154 1.764 10.991 1.00 0.00 C ATOM 919 C GLU A 59 115.538 1.273 9.597 1.00 0.00 C ATOM 920 O GLU A 59 115.097 0.203 9.158 1.00 0.00 O ATOM 921 CB GLU A 59 116.161 1.257 12.034 1.00 0.00 C ATOM 922 CG GLU A 59 116.233 -0.259 12.141 1.00 0.00 C ATOM 923 CD GLU A 59 117.030 -0.730 13.344 1.00 0.00 C ATOM 924 OE1 GLU A 59 118.273 -0.790 13.262 1.00 0.00 O ATOM 925 OE2 GLU A 59 116.417 -1.049 14.385 1.00 0.00 O ATOM 0 H GLU A 59 113.530 0.455 10.891 1.00 0.00 H new ATOM 0 HA GLU A 59 115.173 2.854 10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 59 117.150 1.640 11.785 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.896 1.667 13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 59 115.222 -0.662 12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.683 -0.661 11.233 1.00 0.00 H new ATOM 932 N ILE A 60 116.327 2.074 8.900 1.00 0.00 N ATOM 933 CA ILE A 60 116.870 1.690 7.606 1.00 0.00 C ATOM 934 C ILE A 60 118.194 0.968 7.812 1.00 0.00 C ATOM 935 O ILE A 60 119.155 1.558 8.308 1.00 0.00 O ATOM 936 CB ILE A 60 117.092 2.918 6.698 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.780 3.684 6.507 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.662 2.487 5.354 1.00 0.00 C ATOM 939 CD1 ILE A 60 115.928 4.960 5.706 1.00 0.00 C ATOM 0 H ILE A 60 116.608 3.003 9.212 1.00 0.00 H new ATOM 0 HA ILE A 60 116.151 1.033 7.116 1.00 0.00 H new ATOM 0 HB ILE A 60 117.810 3.582 7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 60 115.060 3.035 6.008 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.366 3.926 7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.813 3.364 4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.616 1.982 5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 60 116.966 1.805 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 60 114.957 5.446 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.622 5.630 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.312 4.724 4.713 1.00 0.00 H new ATOM 951 N VAL A 61 118.242 -0.303 7.445 1.00 0.00 N ATOM 952 CA VAL A 61 119.405 -1.127 7.757 1.00 0.00 C ATOM 953 C VAL A 61 120.279 -1.410 6.538 1.00 0.00 C ATOM 954 O VAL A 61 121.482 -1.625 6.676 1.00 0.00 O ATOM 955 CB VAL A 61 118.992 -2.466 8.410 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.338 -2.223 9.761 1.00 0.00 C ATOM 957 CG2 VAL A 61 118.058 -3.252 7.500 1.00 0.00 C ATOM 0 H VAL A 61 117.500 -0.784 6.937 1.00 0.00 H new ATOM 0 HA VAL A 61 119.994 -0.543 8.464 1.00 0.00 H new ATOM 0 HB VAL A 61 119.894 -3.058 8.563 1.00 0.00 H new ATOM 0 HG11 VAL A 61 118.054 -3.177 10.205 1.00 0.00 H new ATOM 0 HG12 VAL A 61 119.041 -1.712 10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.449 -1.606 9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.783 -4.189 7.983 1.00 0.00 H new ATOM 0 HG22 VAL A 61 117.160 -2.666 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.562 -3.464 6.557 1.00 0.00 H new ATOM 967 N GLY A 62 119.698 -1.406 5.347 1.00 0.00 N ATOM 968 CA GLY A 62 120.479 -1.765 4.183 1.00 0.00 C ATOM 969 C GLY A 62 119.920 -1.235 2.885 1.00 0.00 C ATOM 970 O GLY A 62 118.811 -0.700 2.842 1.00 0.00 O ATOM 0 H GLY A 62 118.723 -1.167 5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.495 -1.391 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.545 -2.851 4.122 1.00 0.00 H new ATOM 974 N ILE A 63 120.707 -1.392 1.833 1.00 0.00 N ATOM 975 CA ILE A 63 120.335 -0.966 0.496 1.00 0.00 C ATOM 976 C ILE A 63 119.897 -2.166 -0.340 1.00 0.00 C ATOM 977 O ILE A 63 120.538 -3.218 -0.311 1.00 0.00 O ATOM 978 CB ILE A 63 121.528 -0.268 -0.198 1.00 0.00 C ATOM 979 CG1 ILE A 63 121.912 1.001 0.570 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.210 0.054 -1.652 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.192 1.646 0.080 1.00 0.00 C ATOM 0 H ILE A 63 121.630 -1.823 1.885 1.00 0.00 H new ATOM 0 HA ILE A 63 119.506 -0.263 0.580 1.00 0.00 H new ATOM 0 HB ILE A 63 122.376 -0.952 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 63 121.099 1.723 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 63 122.020 0.757 1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.068 0.544 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 63 120.988 -0.868 -2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.346 0.717 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.399 2.538 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 63 124.017 0.942 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 63 123.082 1.923 -0.968 1.00 0.00 H new ATOM 993 N ALA A 64 118.804 -2.007 -1.070 1.00 0.00 N ATOM 994 CA ALA A 64 118.317 -3.042 -1.965 1.00 0.00 C ATOM 995 C ALA A 64 118.448 -2.587 -3.413 1.00 0.00 C ATOM 996 O ALA A 64 118.399 -1.392 -3.696 1.00 0.00 O ATOM 997 CB ALA A 64 116.869 -3.388 -1.643 1.00 0.00 C ATOM 0 H ALA A 64 118.233 -1.162 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 64 118.922 -3.938 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.521 -4.165 -2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 64 116.800 -3.747 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.248 -2.500 -1.759 1.00 0.00 H new ATOM 1003 N GLU A 65 118.621 -3.531 -4.320 1.00 0.00 N ATOM 1004 CA GLU A 65 118.792 -3.219 -5.731 1.00 0.00 C ATOM 1005 C GLU A 65 117.752 -3.943 -6.574 1.00 0.00 C ATOM 1006 O GLU A 65 117.447 -5.114 -6.328 1.00 0.00 O ATOM 1007 CB GLU A 65 120.200 -3.613 -6.181 1.00 0.00 C ATOM 1008 CG GLU A 65 120.490 -3.364 -7.650 1.00 0.00 C ATOM 1009 CD GLU A 65 121.869 -3.850 -8.041 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.044 -5.075 -8.215 1.00 0.00 O ATOM 1011 OE2 GLU A 65 122.787 -3.013 -8.160 1.00 0.00 O ATOM 0 H GLU A 65 118.647 -4.528 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 65 118.657 -2.146 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 65 120.925 -3.061 -5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.351 -4.671 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 65 119.740 -3.869 -8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.407 -2.298 -7.861 1.00 0.00 H new ATOM 1018 N ILE A 66 117.202 -3.235 -7.549 1.00 0.00 N ATOM 1019 CA ILE A 66 116.275 -3.825 -8.501 1.00 0.00 C ATOM 1020 C ILE A 66 117.067 -4.588 -9.558 1.00 0.00 C ATOM 1021 O ILE A 66 117.785 -3.987 -10.357 1.00 0.00 O ATOM 1022 CB ILE A 66 115.408 -2.747 -9.191 1.00 0.00 C ATOM 1023 CG1 ILE A 66 114.762 -1.817 -8.155 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.340 -3.397 -10.059 1.00 0.00 C ATOM 1025 CD1 ILE A 66 113.826 -2.517 -7.193 1.00 0.00 C ATOM 0 H ILE A 66 117.384 -2.243 -7.702 1.00 0.00 H new ATOM 0 HA ILE A 66 115.610 -4.498 -7.960 1.00 0.00 H new ATOM 0 HB ILE A 66 116.058 -2.147 -9.828 1.00 0.00 H new ATOM 0 HG12 ILE A 66 115.549 -1.324 -7.585 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.210 -1.036 -8.678 1.00 0.00 H new ATOM 0 HG21 ILE A 66 113.739 -2.623 -10.537 1.00 0.00 H new ATOM 0 HG22 ILE A 66 114.816 -4.011 -10.824 1.00 0.00 H new ATOM 0 HG23 ILE A 66 113.699 -4.023 -9.439 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.412 -1.790 -6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.016 -2.987 -7.751 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.375 -3.279 -6.640 1.00 0.00 H new ATOM 1037 N ILE A 67 116.950 -5.909 -9.556 1.00 0.00 N ATOM 1038 CA ILE A 67 117.767 -6.740 -10.437 1.00 0.00 C ATOM 1039 C ILE A 67 116.972 -7.271 -11.624 1.00 0.00 C ATOM 1040 O ILE A 67 117.454 -8.114 -12.378 1.00 0.00 O ATOM 1041 CB ILE A 67 118.416 -7.912 -9.678 1.00 0.00 C ATOM 1042 CG1 ILE A 67 117.356 -8.766 -8.980 1.00 0.00 C ATOM 1043 CG2 ILE A 67 119.423 -7.377 -8.675 1.00 0.00 C ATOM 1044 CD1 ILE A 67 117.919 -9.969 -8.251 1.00 0.00 C ATOM 0 H ILE A 67 116.304 -6.427 -8.961 1.00 0.00 H new ATOM 0 HA ILE A 67 118.557 -6.092 -10.817 1.00 0.00 H new ATOM 0 HB ILE A 67 118.934 -8.550 -10.394 1.00 0.00 H new ATOM 0 HG12 ILE A 67 116.813 -8.144 -8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 67 116.633 -9.108 -9.721 1.00 0.00 H new ATOM 0 HG21 ILE A 67 119.880 -8.209 -8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.195 -6.815 -9.200 1.00 0.00 H new ATOM 0 HG23 ILE A 67 118.917 -6.723 -7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 67 117.106 -10.524 -7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 67 118.437 -10.615 -8.960 1.00 0.00 H new ATOM 0 HD13 ILE A 67 118.619 -9.635 -7.485 1.00 0.00 H new ATOM 1056 N ARG A 68 115.765 -6.761 -11.802 1.00 0.00 N ATOM 1057 CA ARG A 68 114.971 -7.069 -12.981 1.00 0.00 C ATOM 1058 C ARG A 68 114.015 -5.921 -13.249 1.00 0.00 C ATOM 1059 O ARG A 68 113.466 -5.345 -12.314 1.00 0.00 O ATOM 1060 CB ARG A 68 114.170 -8.364 -12.812 1.00 0.00 C ATOM 1061 CG ARG A 68 113.717 -8.949 -14.141 1.00 0.00 C ATOM 1062 CD ARG A 68 112.440 -9.763 -14.015 1.00 0.00 C ATOM 1063 NE ARG A 68 112.540 -10.824 -13.016 1.00 0.00 N ATOM 1064 CZ ARG A 68 112.488 -12.124 -13.296 1.00 0.00 C ATOM 1065 NH1 ARG A 68 112.432 -12.538 -14.556 1.00 0.00 N ATOM 1066 NH2 ARG A 68 112.514 -13.008 -12.307 1.00 0.00 N ATOM 0 H ARG A 68 115.311 -6.129 -11.142 1.00 0.00 H new ATOM 0 HA ARG A 68 115.654 -7.207 -13.819 1.00 0.00 H new ATOM 0 HB2 ARG A 68 114.780 -9.098 -12.285 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.297 -8.168 -12.189 1.00 0.00 H new ATOM 0 HG2 ARG A 68 113.559 -8.141 -14.855 1.00 0.00 H new ATOM 0 HG3 ARG A 68 114.508 -9.581 -14.544 1.00 0.00 H new ATOM 0 HD2 ARG A 68 111.616 -9.099 -13.752 1.00 0.00 H new ATOM 0 HD3 ARG A 68 112.198 -10.203 -14.982 1.00 0.00 H new ATOM 0 HE ARG A 68 112.657 -10.551 -12.040 1.00 0.00 H new ATOM 0 HH11 ARG A 68 112.429 -11.858 -15.316 1.00 0.00 H new ATOM 0 HH12 ARG A 68 112.392 -13.536 -14.764 1.00 0.00 H new ATOM 0 HH21 ARG A 68 112.573 -12.690 -11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 68 112.474 -14.006 -12.514 1.00 0.00 H new ATOM 1080 N GLU A 69 113.827 -5.578 -14.516 1.00 0.00 N ATOM 1081 CA GLU A 69 112.903 -4.515 -14.875 1.00 0.00 C ATOM 1082 C GLU A 69 111.459 -4.985 -14.673 1.00 0.00 C ATOM 1083 O GLU A 69 111.205 -6.186 -14.563 1.00 0.00 O ATOM 1084 CB GLU A 69 113.145 -4.060 -16.315 1.00 0.00 C ATOM 1085 CG GLU A 69 114.492 -3.374 -16.495 1.00 0.00 C ATOM 1086 CD GLU A 69 114.754 -2.943 -17.921 1.00 0.00 C ATOM 1087 OE1 GLU A 69 114.153 -1.944 -18.364 1.00 0.00 O ATOM 1088 OE2 GLU A 69 115.585 -3.586 -18.595 1.00 0.00 O ATOM 0 H GLU A 69 114.299 -6.018 -15.306 1.00 0.00 H new ATOM 0 HA GLU A 69 113.075 -3.658 -14.224 1.00 0.00 H new ATOM 0 HB2 GLU A 69 113.090 -4.923 -16.979 1.00 0.00 H new ATOM 0 HB3 GLU A 69 112.351 -3.376 -16.614 1.00 0.00 H new ATOM 0 HG2 GLU A 69 114.538 -2.501 -15.844 1.00 0.00 H new ATOM 0 HG3 GLU A 69 115.284 -4.052 -16.176 1.00 0.00 H new ATOM 1095 N ALA A 70 110.526 -4.041 -14.629 1.00 0.00 N ATOM 1096 CA ALA A 70 109.141 -4.340 -14.268 1.00 0.00 C ATOM 1097 C ALA A 70 108.463 -5.275 -15.266 1.00 0.00 C ATOM 1098 O ALA A 70 108.321 -4.952 -16.449 1.00 0.00 O ATOM 1099 CB ALA A 70 108.342 -3.052 -14.134 1.00 0.00 C ATOM 0 H ALA A 70 110.702 -3.059 -14.839 1.00 0.00 H new ATOM 0 HA ALA A 70 109.167 -4.857 -13.309 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.313 -3.289 -13.865 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.785 -2.428 -13.358 1.00 0.00 H new ATOM 0 HB3 ALA A 70 108.355 -2.516 -15.083 1.00 0.00 H new ATOM 1105 N TYR A 71 108.041 -6.431 -14.770 1.00 0.00 N ATOM 1106 CA TYR A 71 107.284 -7.392 -15.560 1.00 0.00 C ATOM 1107 C TYR A 71 105.990 -7.730 -14.819 1.00 0.00 C ATOM 1108 O TYR A 71 105.901 -7.493 -13.618 1.00 0.00 O ATOM 1109 CB TYR A 71 108.115 -8.662 -15.812 1.00 0.00 C ATOM 1110 CG TYR A 71 108.292 -9.554 -14.599 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.107 -9.177 -13.539 1.00 0.00 C ATOM 1112 CD2 TYR A 71 107.644 -10.780 -14.521 1.00 0.00 C ATOM 1113 CE1 TYR A 71 109.270 -9.994 -12.436 1.00 0.00 C ATOM 1114 CE2 TYR A 71 107.802 -11.604 -13.423 1.00 0.00 C ATOM 1115 CZ TYR A 71 108.616 -11.206 -12.383 1.00 0.00 C ATOM 1116 OH TYR A 71 108.782 -12.028 -11.290 1.00 0.00 O ATOM 0 H TYR A 71 108.214 -6.728 -13.810 1.00 0.00 H new ATOM 0 HA TYR A 71 107.044 -6.957 -16.530 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.639 -9.240 -16.605 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.099 -8.369 -16.178 1.00 0.00 H new ATOM 0 HD1 TYR A 71 109.622 -8.229 -13.577 1.00 0.00 H new ATOM 0 HD2 TYR A 71 107.005 -11.095 -15.333 1.00 0.00 H new ATOM 0 HE1 TYR A 71 109.906 -9.684 -11.620 1.00 0.00 H new ATOM 0 HE2 TYR A 71 107.291 -12.554 -13.379 1.00 0.00 H new ATOM 0 HH TYR A 71 108.251 -12.843 -11.410 1.00 0.00 H new ATOM 1126 N PRO A 72 104.968 -8.261 -15.514 1.00 0.00 N ATOM 1127 CA PRO A 72 103.671 -8.590 -14.899 1.00 0.00 C ATOM 1128 C PRO A 72 103.799 -9.516 -13.687 1.00 0.00 C ATOM 1129 O PRO A 72 104.525 -10.512 -13.725 1.00 0.00 O ATOM 1130 CB PRO A 72 102.894 -9.288 -16.025 1.00 0.00 C ATOM 1131 CG PRO A 72 103.910 -9.623 -17.065 1.00 0.00 C ATOM 1132 CD PRO A 72 104.981 -8.579 -16.948 1.00 0.00 C ATOM 0 HA PRO A 72 103.181 -7.696 -14.515 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.396 -10.186 -15.659 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.119 -8.636 -16.429 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.318 -10.621 -16.904 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.466 -9.617 -18.060 1.00 0.00 H new ATOM 0 HD2 PRO A 72 105.951 -8.957 -17.270 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.761 -7.703 -17.559 1.00 0.00 H new ATOM 1140 N ASP A 73 103.088 -9.174 -12.616 1.00 0.00 N ATOM 1141 CA ASP A 73 103.082 -9.979 -11.394 1.00 0.00 C ATOM 1142 C ASP A 73 102.303 -11.272 -11.628 1.00 0.00 C ATOM 1143 O ASP A 73 101.147 -11.239 -12.058 1.00 0.00 O ATOM 1144 CB ASP A 73 102.457 -9.194 -10.225 1.00 0.00 C ATOM 1145 CG ASP A 73 102.611 -9.892 -8.877 1.00 0.00 C ATOM 1146 OD1 ASP A 73 102.360 -11.111 -8.797 1.00 0.00 O ATOM 1147 OD2 ASP A 73 102.962 -9.216 -7.887 1.00 0.00 O ATOM 0 H ASP A 73 102.504 -8.339 -12.568 1.00 0.00 H new ATOM 0 HA ASP A 73 104.113 -10.220 -11.135 1.00 0.00 H new ATOM 0 HB2 ASP A 73 102.919 -8.208 -10.171 1.00 0.00 H new ATOM 0 HB3 ASP A 73 101.397 -9.039 -10.427 1.00 0.00 H new ATOM 1152 N PRO A 74 102.930 -12.428 -11.352 1.00 0.00 N ATOM 1153 CA PRO A 74 102.318 -13.744 -11.564 1.00 0.00 C ATOM 1154 C PRO A 74 101.102 -14.008 -10.670 1.00 0.00 C ATOM 1155 O PRO A 74 100.416 -15.020 -10.836 1.00 0.00 O ATOM 1156 CB PRO A 74 103.442 -14.736 -11.227 1.00 0.00 C ATOM 1157 CG PRO A 74 104.697 -13.930 -11.242 1.00 0.00 C ATOM 1158 CD PRO A 74 104.299 -12.544 -10.830 1.00 0.00 C ATOM 0 HA PRO A 74 101.937 -13.829 -12.582 1.00 0.00 H new ATOM 0 HB2 PRO A 74 103.281 -15.196 -10.252 1.00 0.00 H new ATOM 0 HB3 PRO A 74 103.485 -15.544 -11.957 1.00 0.00 H new ATOM 0 HG2 PRO A 74 105.436 -14.345 -10.556 1.00 0.00 H new ATOM 0 HG3 PRO A 74 105.149 -13.928 -12.234 1.00 0.00 H new ATOM 0 HD2 PRO A 74 104.331 -12.419 -9.748 1.00 0.00 H new ATOM 0 HD3 PRO A 74 104.960 -11.790 -11.257 1.00 0.00 H new ATOM 1166 N THR A 75 100.836 -13.122 -9.717 1.00 0.00 N ATOM 1167 CA THR A 75 99.703 -13.307 -8.823 1.00 0.00 C ATOM 1168 C THR A 75 98.415 -12.769 -9.449 1.00 0.00 C ATOM 1169 O THR A 75 97.315 -13.103 -9.003 1.00 0.00 O ATOM 1170 CB THR A 75 99.933 -12.648 -7.438 1.00 0.00 C ATOM 1171 OG1 THR A 75 99.107 -13.282 -6.449 1.00 0.00 O ATOM 1172 CG2 THR A 75 99.618 -11.156 -7.463 1.00 0.00 C ATOM 0 H THR A 75 101.383 -12.278 -9.546 1.00 0.00 H new ATOM 0 HA THR A 75 99.602 -14.381 -8.668 1.00 0.00 H new ATOM 0 HB THR A 75 100.986 -12.775 -7.188 1.00 0.00 H new ATOM 0 HG1 THR A 75 99.259 -12.861 -5.577 1.00 0.00 H new ATOM 0 HG21 THR A 75 99.791 -10.731 -6.474 1.00 0.00 H new ATOM 0 HG22 THR A 75 100.262 -10.660 -8.189 1.00 0.00 H new ATOM 0 HG23 THR A 75 98.575 -11.009 -7.743 1.00 0.00 H new ATOM 1180 N ASP A 76 98.548 -11.954 -10.490 1.00 0.00 N ATOM 1181 CA ASP A 76 97.379 -11.378 -11.147 1.00 0.00 C ATOM 1182 C ASP A 76 96.865 -12.314 -12.237 1.00 0.00 C ATOM 1183 O ASP A 76 97.613 -13.141 -12.761 1.00 0.00 O ATOM 1184 CB ASP A 76 97.696 -9.999 -11.732 1.00 0.00 C ATOM 1185 CG ASP A 76 96.490 -9.377 -12.408 1.00 0.00 C ATOM 1186 OD1 ASP A 76 95.500 -9.087 -11.716 1.00 0.00 O ATOM 1187 OD2 ASP A 76 96.520 -9.215 -13.644 1.00 0.00 O ATOM 0 H ASP A 76 99.443 -11.679 -10.894 1.00 0.00 H new ATOM 0 HA ASP A 76 96.599 -11.253 -10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 76 98.046 -9.340 -10.937 1.00 0.00 H new ATOM 0 HB3 ASP A 76 98.509 -10.089 -12.453 1.00 0.00 H new ATOM 1192 N ALA A 77 95.589 -12.177 -12.580 1.00 0.00 N ATOM 1193 CA ALA A 77 94.945 -13.082 -13.522 1.00 0.00 C ATOM 1194 C ALA A 77 95.029 -12.573 -14.960 1.00 0.00 C ATOM 1195 O ALA A 77 94.573 -13.244 -15.886 1.00 0.00 O ATOM 1196 CB ALA A 77 93.491 -13.299 -13.125 1.00 0.00 C ATOM 0 H ALA A 77 94.979 -11.444 -12.217 1.00 0.00 H new ATOM 0 HA ALA A 77 95.480 -14.031 -13.483 1.00 0.00 H new ATOM 0 HB1 ALA A 77 93.017 -13.977 -13.835 1.00 0.00 H new ATOM 0 HB2 ALA A 77 93.447 -13.732 -12.126 1.00 0.00 H new ATOM 0 HB3 ALA A 77 92.966 -12.344 -13.130 1.00 0.00 H new ATOM 1202 N SER A 78 95.606 -11.394 -15.155 1.00 0.00 N ATOM 1203 CA SER A 78 95.707 -10.825 -16.495 1.00 0.00 C ATOM 1204 C SER A 78 97.108 -10.284 -16.792 1.00 0.00 C ATOM 1205 O SER A 78 97.518 -10.210 -17.951 1.00 0.00 O ATOM 1206 CB SER A 78 94.659 -9.720 -16.671 1.00 0.00 C ATOM 1207 OG SER A 78 94.661 -8.815 -15.576 1.00 0.00 O ATOM 0 H SER A 78 96.007 -10.819 -14.414 1.00 0.00 H new ATOM 0 HA SER A 78 95.517 -11.626 -17.209 1.00 0.00 H new ATOM 0 HB2 SER A 78 94.856 -9.175 -17.594 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.671 -10.168 -16.771 1.00 0.00 H new ATOM 0 HG SER A 78 95.447 -8.982 -15.015 1.00 0.00 H new ATOM 1213 N GLY A 79 97.838 -9.919 -15.749 1.00 0.00 N ATOM 1214 CA GLY A 79 99.136 -9.303 -15.927 1.00 0.00 C ATOM 1215 C GLY A 79 99.018 -7.797 -15.905 1.00 0.00 C ATOM 1216 O GLY A 79 99.843 -7.083 -16.477 1.00 0.00 O ATOM 0 H GLY A 79 97.552 -10.039 -14.777 1.00 0.00 H new ATOM 0 HA2 GLY A 79 99.812 -9.632 -15.137 1.00 0.00 H new ATOM 0 HA3 GLY A 79 99.571 -9.625 -16.873 1.00 0.00 H new ATOM 1220 N LYS A 80 97.980 -7.321 -15.230 1.00 0.00 N ATOM 1221 CA LYS A 80 97.659 -5.901 -15.188 1.00 0.00 C ATOM 1222 C LYS A 80 98.549 -5.167 -14.187 1.00 0.00 C ATOM 1223 O LYS A 80 98.700 -3.945 -14.245 1.00 0.00 O ATOM 1224 CB LYS A 80 96.178 -5.735 -14.833 1.00 0.00 C ATOM 1225 CG LYS A 80 95.674 -4.302 -14.864 1.00 0.00 C ATOM 1226 CD LYS A 80 94.156 -4.256 -14.810 1.00 0.00 C ATOM 1227 CE LYS A 80 93.539 -4.928 -16.030 1.00 0.00 C ATOM 1228 NZ LYS A 80 92.056 -4.967 -15.959 1.00 0.00 N ATOM 0 H LYS A 80 97.338 -7.908 -14.697 1.00 0.00 H new ATOM 0 HA LYS A 80 97.846 -5.460 -16.167 1.00 0.00 H new ATOM 0 HB2 LYS A 80 95.583 -6.330 -15.526 1.00 0.00 H new ATOM 0 HB3 LYS A 80 96.009 -6.144 -13.837 1.00 0.00 H new ATOM 0 HG2 LYS A 80 96.088 -3.749 -14.021 1.00 0.00 H new ATOM 0 HG3 LYS A 80 96.024 -3.809 -15.771 1.00 0.00 H new ATOM 0 HD2 LYS A 80 93.807 -4.751 -13.904 1.00 0.00 H new ATOM 0 HD3 LYS A 80 93.823 -3.220 -14.756 1.00 0.00 H new ATOM 0 HE2 LYS A 80 93.844 -4.394 -16.930 1.00 0.00 H new ATOM 0 HE3 LYS A 80 93.924 -5.944 -16.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 91.680 -5.433 -16.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 91.763 -5.499 -15.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 91.685 -3.997 -15.903 1.00 0.00 H new ATOM 1242 N PHE A 81 99.144 -5.918 -13.275 1.00 0.00 N ATOM 1243 CA PHE A 81 100.055 -5.352 -12.292 1.00 0.00 C ATOM 1244 C PHE A 81 101.460 -5.880 -12.539 1.00 0.00 C ATOM 1245 O PHE A 81 101.630 -6.902 -13.203 1.00 0.00 O ATOM 1246 CB PHE A 81 99.587 -5.691 -10.876 1.00 0.00 C ATOM 1247 CG PHE A 81 98.176 -5.251 -10.604 1.00 0.00 C ATOM 1248 CD1 PHE A 81 97.863 -3.905 -10.499 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.161 -6.184 -10.461 1.00 0.00 C ATOM 1250 CE1 PHE A 81 96.564 -3.499 -10.262 1.00 0.00 C ATOM 1251 CE2 PHE A 81 95.861 -5.783 -10.223 1.00 0.00 C ATOM 1252 CZ PHE A 81 95.562 -4.439 -10.120 1.00 0.00 C ATOM 0 H PHE A 81 99.012 -6.926 -13.194 1.00 0.00 H new ATOM 0 HA PHE A 81 100.065 -4.267 -12.392 1.00 0.00 H new ATOM 0 HB2 PHE A 81 99.662 -6.767 -10.722 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.255 -5.218 -10.155 1.00 0.00 H new ATOM 0 HD1 PHE A 81 98.643 -3.165 -10.604 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.389 -7.237 -10.537 1.00 0.00 H new ATOM 0 HE1 PHE A 81 96.332 -2.447 -10.188 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.079 -6.520 -10.118 1.00 0.00 H new ATOM 0 HZ PHE A 81 94.547 -4.123 -9.929 1.00 0.00 H new ATOM 1262 N VAL A 82 102.462 -5.188 -12.020 1.00 0.00 N ATOM 1263 CA VAL A 82 103.845 -5.565 -12.270 1.00 0.00 C ATOM 1264 C VAL A 82 104.576 -5.875 -10.973 1.00 0.00 C ATOM 1265 O VAL A 82 104.091 -5.566 -9.887 1.00 0.00 O ATOM 1266 CB VAL A 82 104.618 -4.472 -13.044 1.00 0.00 C ATOM 1267 CG1 VAL A 82 104.002 -4.243 -14.416 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.666 -3.174 -12.253 1.00 0.00 C ATOM 0 H VAL A 82 102.345 -4.367 -11.426 1.00 0.00 H new ATOM 0 HA VAL A 82 103.810 -6.463 -12.887 1.00 0.00 H new ATOM 0 HB VAL A 82 105.641 -4.820 -13.183 1.00 0.00 H new ATOM 0 HG11 VAL A 82 104.562 -3.470 -14.942 1.00 0.00 H new ATOM 0 HG12 VAL A 82 104.036 -5.169 -14.989 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.966 -3.925 -14.301 1.00 0.00 H new ATOM 0 HG21 VAL A 82 105.215 -2.422 -12.820 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.651 -2.821 -12.071 1.00 0.00 H new ATOM 0 HG23 VAL A 82 105.166 -3.347 -11.300 1.00 0.00 H new ATOM 1278 N CYS A 83 105.735 -6.490 -11.109 1.00 0.00 N ATOM 1279 CA CYS A 83 106.560 -6.868 -9.982 1.00 0.00 C ATOM 1280 C CYS A 83 108.028 -6.790 -10.388 1.00 0.00 C ATOM 1281 O CYS A 83 108.343 -6.807 -11.582 1.00 0.00 O ATOM 1282 CB CYS A 83 106.206 -8.287 -9.532 1.00 0.00 C ATOM 1283 SG CYS A 83 107.116 -8.850 -8.079 1.00 0.00 S ATOM 0 H CYS A 83 106.132 -6.743 -12.014 1.00 0.00 H new ATOM 0 HA CYS A 83 106.382 -6.187 -9.150 1.00 0.00 H new ATOM 0 HB2 CYS A 83 105.138 -8.333 -9.318 1.00 0.00 H new ATOM 0 HB3 CYS A 83 106.396 -8.975 -10.355 1.00 0.00 H new ATOM 0 HG CYS A 83 108.380 -8.941 -8.367 1.00 0.00 H new ATOM 1289 N VAL A 84 108.919 -6.695 -9.407 1.00 0.00 N ATOM 1290 CA VAL A 84 110.350 -6.617 -9.676 1.00 0.00 C ATOM 1291 C VAL A 84 111.136 -7.523 -8.732 1.00 0.00 C ATOM 1292 O VAL A 84 110.688 -7.821 -7.619 1.00 0.00 O ATOM 1293 CB VAL A 84 110.891 -5.170 -9.547 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.301 -4.267 -10.622 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.611 -4.607 -8.159 1.00 0.00 C ATOM 0 H VAL A 84 108.675 -6.670 -8.417 1.00 0.00 H new ATOM 0 HA VAL A 84 110.486 -6.950 -10.705 1.00 0.00 H new ATOM 0 HB VAL A 84 111.971 -5.204 -9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.698 -3.258 -10.508 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.567 -4.652 -11.607 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.216 -4.244 -10.522 1.00 0.00 H new ATOM 0 HG21 VAL A 84 111.000 -3.591 -8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.536 -4.596 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.097 -5.231 -7.409 1.00 0.00 H new ATOM 1305 N ASP A 85 112.300 -7.965 -9.189 1.00 0.00 N ATOM 1306 CA ASP A 85 113.202 -8.760 -8.366 1.00 0.00 C ATOM 1307 C ASP A 85 114.098 -7.835 -7.558 1.00 0.00 C ATOM 1308 O ASP A 85 114.805 -6.996 -8.120 1.00 0.00 O ATOM 1309 CB ASP A 85 114.074 -9.691 -9.224 1.00 0.00 C ATOM 1310 CG ASP A 85 113.306 -10.835 -9.860 1.00 0.00 C ATOM 1311 OD1 ASP A 85 112.220 -10.589 -10.417 1.00 0.00 O ATOM 1312 OD2 ASP A 85 113.813 -11.981 -9.853 1.00 0.00 O ATOM 0 H ASP A 85 112.644 -7.785 -10.132 1.00 0.00 H new ATOM 0 HA ASP A 85 112.598 -9.377 -7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 85 114.551 -9.105 -10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 85 114.871 -10.101 -8.604 1.00 0.00 H new ATOM 1317 N ILE A 86 114.058 -7.977 -6.246 1.00 0.00 N ATOM 1318 CA ILE A 86 114.876 -7.160 -5.368 1.00 0.00 C ATOM 1319 C ILE A 86 115.883 -8.021 -4.619 1.00 0.00 C ATOM 1320 O ILE A 86 115.616 -9.185 -4.311 1.00 0.00 O ATOM 1321 CB ILE A 86 114.017 -6.378 -4.347 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.199 -7.339 -3.473 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.101 -5.397 -5.067 1.00 0.00 C ATOM 1324 CD1 ILE A 86 112.414 -6.649 -2.379 1.00 0.00 C ATOM 0 H ILE A 86 113.466 -8.653 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 86 115.402 -6.443 -5.998 1.00 0.00 H new ATOM 0 HB ILE A 86 114.686 -5.815 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 86 112.509 -7.895 -4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 86 113.873 -8.067 -3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 86 112.503 -4.854 -4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 86 113.702 -4.691 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.442 -5.943 -5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 86 111.862 -7.392 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 86 113.099 -6.116 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 86 111.715 -5.941 -2.824 1.00 0.00 H new ATOM 1336 N LYS A 87 117.048 -7.457 -4.348 1.00 0.00 N ATOM 1337 CA LYS A 87 118.066 -8.151 -3.577 1.00 0.00 C ATOM 1338 C LYS A 87 118.866 -7.152 -2.755 1.00 0.00 C ATOM 1339 O LYS A 87 118.958 -5.979 -3.115 1.00 0.00 O ATOM 1340 CB LYS A 87 119.020 -8.922 -4.495 1.00 0.00 C ATOM 1341 CG LYS A 87 119.968 -8.022 -5.269 1.00 0.00 C ATOM 1342 CD LYS A 87 121.112 -8.806 -5.888 1.00 0.00 C ATOM 1343 CE LYS A 87 122.205 -7.880 -6.394 1.00 0.00 C ATOM 1344 NZ LYS A 87 122.666 -6.941 -5.336 1.00 0.00 N ATOM 0 H LYS A 87 117.313 -6.520 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 87 117.564 -8.858 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 87 119.603 -9.622 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 87 118.436 -9.514 -5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 87 119.417 -7.503 -6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.369 -7.258 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 87 121.527 -9.492 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 87 120.736 -9.413 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 87 123.049 -8.473 -6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 87 121.834 -7.312 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 123.697 -6.822 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 122.202 -6.019 -5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 122.421 -7.325 -4.401 1.00 0.00 H new ATOM 1358 N ALA A 88 119.416 -7.615 -1.647 1.00 0.00 N ATOM 1359 CA ALA A 88 120.327 -6.811 -0.853 1.00 0.00 C ATOM 1360 C ALA A 88 121.555 -6.416 -1.670 1.00 0.00 C ATOM 1361 O ALA A 88 122.111 -7.228 -2.418 1.00 0.00 O ATOM 1362 CB ALA A 88 120.743 -7.570 0.396 1.00 0.00 C ATOM 0 H ALA A 88 119.246 -8.549 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 88 119.810 -5.899 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 88 121.426 -6.957 0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.860 -7.802 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 88 121.241 -8.496 0.110 1.00 0.00 H new ATOM 1368 N ASP A 89 121.951 -5.163 -1.548 1.00 0.00 N ATOM 1369 CA ASP A 89 123.152 -4.666 -2.201 1.00 0.00 C ATOM 1370 C ASP A 89 124.265 -4.529 -1.169 1.00 0.00 C ATOM 1371 O ASP A 89 125.235 -5.286 -1.179 1.00 0.00 O ATOM 1372 CB ASP A 89 122.870 -3.324 -2.886 1.00 0.00 C ATOM 1373 CG ASP A 89 124.089 -2.737 -3.569 1.00 0.00 C ATOM 1374 OD1 ASP A 89 124.680 -3.416 -4.436 1.00 0.00 O ATOM 1375 OD2 ASP A 89 124.463 -1.594 -3.244 1.00 0.00 O ATOM 0 H ASP A 89 121.454 -4.463 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 89 123.468 -5.372 -2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.078 -3.458 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 89 122.500 -2.615 -2.145 1.00 0.00 H new ATOM 1380 N LYS A 90 124.108 -3.570 -0.269 1.00 0.00 N ATOM 1381 CA LYS A 90 125.017 -3.408 0.859 1.00 0.00 C ATOM 1382 C LYS A 90 124.297 -2.749 2.030 1.00 0.00 C ATOM 1383 O LYS A 90 123.467 -1.863 1.833 1.00 0.00 O ATOM 1384 CB LYS A 90 126.258 -2.601 0.459 1.00 0.00 C ATOM 1385 CG LYS A 90 125.966 -1.378 -0.389 1.00 0.00 C ATOM 1386 CD LYS A 90 127.243 -0.621 -0.711 1.00 0.00 C ATOM 1387 CE LYS A 90 127.046 0.361 -1.853 1.00 0.00 C ATOM 1388 NZ LYS A 90 126.754 -0.331 -3.135 1.00 0.00 N ATOM 0 H LYS A 90 123.352 -2.885 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 90 125.352 -4.398 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.777 -2.285 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 90 126.939 -3.253 -0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 90 125.476 -1.681 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 90 125.273 -0.722 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 90 127.580 -0.084 0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 90 128.029 -1.329 -0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 90 126.227 1.039 -1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 90 127.942 0.971 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 127.129 0.231 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 127.203 -1.269 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 125.725 -0.440 -3.244 1.00 0.00 H new ATOM 1402 N PRO A 91 124.576 -3.200 3.261 1.00 0.00 N ATOM 1403 CA PRO A 91 123.967 -2.645 4.468 1.00 0.00 C ATOM 1404 C PRO A 91 124.643 -1.352 4.919 1.00 0.00 C ATOM 1405 O PRO A 91 125.702 -0.980 4.411 1.00 0.00 O ATOM 1406 CB PRO A 91 124.165 -3.748 5.522 1.00 0.00 C ATOM 1407 CG PRO A 91 124.870 -4.874 4.826 1.00 0.00 C ATOM 1408 CD PRO A 91 125.490 -4.294 3.589 1.00 0.00 C ATOM 0 HA PRO A 91 122.922 -2.381 4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.754 -3.381 6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.207 -4.078 5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 91 125.631 -5.312 5.472 1.00 0.00 H new ATOM 0 HG3 PRO A 91 124.171 -5.670 4.572 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.503 -3.936 3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.552 -5.026 2.784 1.00 0.00 H new ATOM 1416 N LEU A 92 124.020 -0.674 5.873 1.00 0.00 N ATOM 1417 CA LEU A 92 124.568 0.557 6.422 1.00 0.00 C ATOM 1418 C LEU A 92 125.426 0.253 7.643 1.00 0.00 C ATOM 1419 O LEU A 92 125.235 -0.771 8.301 1.00 0.00 O ATOM 1420 CB LEU A 92 123.438 1.522 6.799 1.00 0.00 C ATOM 1421 CG LEU A 92 122.608 2.044 5.621 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.507 2.968 6.115 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.498 2.763 4.618 1.00 0.00 C ATOM 0 H LEU A 92 123.131 -0.958 6.284 1.00 0.00 H new ATOM 0 HA LEU A 92 125.192 1.029 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.771 1.019 7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.869 2.374 7.325 1.00 0.00 H new ATOM 0 HG LEU A 92 122.145 1.193 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.927 3.330 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.853 2.423 6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.950 3.815 6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 92 122.891 3.127 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 92 123.989 3.605 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.252 2.073 4.240 1.00 0.00 H new ATOM 1435 N LYS A 93 126.376 1.137 7.937 1.00 0.00 N ATOM 1436 CA LYS A 93 127.257 0.964 9.088 1.00 0.00 C ATOM 1437 C LYS A 93 126.442 1.035 10.376 1.00 0.00 C ATOM 1438 O LYS A 93 126.502 0.146 11.227 1.00 0.00 O ATOM 1439 CB LYS A 93 128.336 2.050 9.103 1.00 0.00 C ATOM 1440 CG LYS A 93 129.445 1.799 10.114 1.00 0.00 C ATOM 1441 CD LYS A 93 130.592 1.012 9.500 1.00 0.00 C ATOM 1442 CE LYS A 93 131.544 1.926 8.744 1.00 0.00 C ATOM 1443 NZ LYS A 93 132.593 1.165 8.013 1.00 0.00 N ATOM 0 H LYS A 93 126.555 1.981 7.393 1.00 0.00 H new ATOM 0 HA LYS A 93 127.740 -0.011 9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.775 2.127 8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 93 127.869 3.010 9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.817 2.752 10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 93 129.044 1.253 10.968 1.00 0.00 H new ATOM 0 HD2 LYS A 93 131.136 0.485 10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 93 130.196 0.255 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 93 130.978 2.532 8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 93 132.018 2.613 9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 133.238 1.830 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 133.129 0.580 8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 132.145 0.552 7.302 1.00 0.00 H new ATOM 1457 N THR A 94 125.691 2.112 10.512 1.00 0.00 N ATOM 1458 CA THR A 94 124.788 2.282 11.631 1.00 0.00 C ATOM 1459 C THR A 94 123.389 2.604 11.114 1.00 0.00 C ATOM 1460 O THR A 94 123.163 3.682 10.559 1.00 0.00 O ATOM 1461 CB THR A 94 125.271 3.408 12.567 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.642 3.183 12.926 1.00 0.00 O ATOM 1463 CG2 THR A 94 124.422 3.474 13.828 1.00 0.00 C ATOM 0 H THR A 94 125.691 2.890 9.852 1.00 0.00 H new ATOM 0 HA THR A 94 124.765 1.353 12.200 1.00 0.00 H new ATOM 0 HB THR A 94 125.176 4.356 12.037 1.00 0.00 H new ATOM 0 HG1 THR A 94 126.947 3.901 13.519 1.00 0.00 H new ATOM 0 HG21 THR A 94 124.785 4.277 14.470 1.00 0.00 H new ATOM 0 HG22 THR A 94 123.384 3.667 13.558 1.00 0.00 H new ATOM 0 HG23 THR A 94 124.488 2.526 14.361 1.00 0.00 H new ATOM 1471 N PRO A 95 122.447 1.657 11.259 1.00 0.00 N ATOM 1472 CA PRO A 95 121.070 1.819 10.778 1.00 0.00 C ATOM 1473 C PRO A 95 120.419 3.103 11.283 1.00 0.00 C ATOM 1474 O PRO A 95 120.588 3.492 12.444 1.00 0.00 O ATOM 1475 CB PRO A 95 120.350 0.596 11.342 1.00 0.00 C ATOM 1476 CG PRO A 95 121.421 -0.423 11.518 1.00 0.00 C ATOM 1477 CD PRO A 95 122.655 0.344 11.899 1.00 0.00 C ATOM 0 HA PRO A 95 121.028 1.893 9.691 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.862 0.825 12.289 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.575 0.243 10.661 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.153 -1.143 12.292 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.579 -0.987 10.599 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.755 0.435 12.981 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.560 -0.143 11.535 1.00 0.00 H new ATOM 1485 N VAL A 96 119.677 3.754 10.405 1.00 0.00 N ATOM 1486 CA VAL A 96 119.043 5.024 10.727 1.00 0.00 C ATOM 1487 C VAL A 96 117.595 4.800 11.140 1.00 0.00 C ATOM 1488 O VAL A 96 116.764 4.403 10.323 1.00 0.00 O ATOM 1489 CB VAL A 96 119.096 5.997 9.529 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.508 7.350 9.900 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.526 6.155 9.031 1.00 0.00 C ATOM 0 H VAL A 96 119.497 3.423 9.457 1.00 0.00 H new ATOM 0 HA VAL A 96 119.593 5.469 11.556 1.00 0.00 H new ATOM 0 HB VAL A 96 118.494 5.575 8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.557 8.017 9.039 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.468 7.224 10.202 1.00 0.00 H new ATOM 0 HG13 VAL A 96 119.076 7.780 10.725 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.543 6.844 8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 96 121.149 6.549 9.834 1.00 0.00 H new ATOM 0 HG23 VAL A 96 120.911 5.185 8.716 1.00 0.00 H new ATOM 1501 N THR A 97 117.307 5.032 12.412 1.00 0.00 N ATOM 1502 CA THR A 97 115.968 4.839 12.946 1.00 0.00 C ATOM 1503 C THR A 97 115.044 5.986 12.550 1.00 0.00 C ATOM 1504 O THR A 97 115.503 7.025 12.070 1.00 0.00 O ATOM 1505 CB THR A 97 116.004 4.725 14.482 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.817 5.775 15.025 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.554 3.378 14.920 1.00 0.00 C ATOM 0 H THR A 97 117.989 5.357 13.098 1.00 0.00 H new ATOM 0 HA THR A 97 115.581 3.912 12.523 1.00 0.00 H new ATOM 0 HB THR A 97 114.984 4.816 14.854 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.837 5.701 16.002 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.567 3.327 16.009 1.00 0.00 H new ATOM 0 HG22 THR A 97 115.922 2.582 14.527 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.568 3.258 14.539 1.00 0.00 H new ATOM 1515 N LEU A 98 113.747 5.795 12.748 1.00 0.00 N ATOM 1516 CA LEU A 98 112.765 6.838 12.478 1.00 0.00 C ATOM 1517 C LEU A 98 113.055 8.066 13.337 1.00 0.00 C ATOM 1518 O LEU A 98 112.991 9.201 12.864 1.00 0.00 O ATOM 1519 CB LEU A 98 111.350 6.322 12.754 1.00 0.00 C ATOM 1520 CG LEU A 98 110.224 7.326 12.488 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.196 7.727 11.022 1.00 0.00 C ATOM 1522 CD2 LEU A 98 108.885 6.739 12.907 1.00 0.00 C ATOM 0 H LEU A 98 113.348 4.923 13.096 1.00 0.00 H new ATOM 0 HA LEU A 98 112.833 7.119 11.427 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.178 5.437 12.141 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.293 6.005 13.795 1.00 0.00 H new ATOM 0 HG LEU A 98 110.413 8.221 13.081 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.389 8.440 10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.147 8.186 10.752 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.032 6.843 10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.094 7.463 12.713 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.693 5.829 12.338 1.00 0.00 H new ATOM 0 HD23 LEU A 98 108.908 6.504 13.971 1.00 0.00 H new ATOM 1534 N ALA A 99 113.400 7.823 14.598 1.00 0.00 N ATOM 1535 CA ALA A 99 113.757 8.897 15.519 1.00 0.00 C ATOM 1536 C ALA A 99 115.033 9.600 15.068 1.00 0.00 C ATOM 1537 O ALA A 99 115.261 10.766 15.393 1.00 0.00 O ATOM 1538 CB ALA A 99 113.924 8.353 16.928 1.00 0.00 C ATOM 0 H ALA A 99 113.440 6.889 15.006 1.00 0.00 H new ATOM 0 HA ALA A 99 112.948 9.627 15.519 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.190 9.166 17.603 1.00 0.00 H new ATOM 0 HB2 ALA A 99 112.988 7.900 17.257 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.713 7.601 16.937 1.00 0.00 H new ATOM 1544 N ALA A 100 115.866 8.885 14.320 1.00 0.00 N ATOM 1545 CA ALA A 100 117.091 9.457 13.787 1.00 0.00 C ATOM 1546 C ALA A 100 116.793 10.308 12.558 1.00 0.00 C ATOM 1547 O ALA A 100 117.365 11.381 12.389 1.00 0.00 O ATOM 1548 CB ALA A 100 118.096 8.365 13.454 1.00 0.00 C ATOM 0 H ALA A 100 115.713 7.908 14.070 1.00 0.00 H new ATOM 0 HA ALA A 100 117.529 10.099 14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.005 8.816 13.057 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.335 7.803 14.357 1.00 0.00 H new ATOM 0 HB3 ALA A 100 117.669 7.693 12.710 1.00 0.00 H new ATOM 1554 N VAL A 101 115.887 9.834 11.709 1.00 0.00 N ATOM 1555 CA VAL A 101 115.471 10.592 10.532 1.00 0.00 C ATOM 1556 C VAL A 101 114.834 11.914 10.958 1.00 0.00 C ATOM 1557 O VAL A 101 115.023 12.948 10.319 1.00 0.00 O ATOM 1558 CB VAL A 101 114.471 9.794 9.661 1.00 0.00 C ATOM 1559 CG1 VAL A 101 114.085 10.583 8.419 1.00 0.00 C ATOM 1560 CG2 VAL A 101 115.054 8.444 9.272 1.00 0.00 C ATOM 0 H VAL A 101 115.427 8.930 11.813 1.00 0.00 H new ATOM 0 HA VAL A 101 116.362 10.786 9.935 1.00 0.00 H new ATOM 0 HB VAL A 101 113.571 9.624 10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 101 113.382 10.002 7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.619 11.523 8.715 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.977 10.790 7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.335 7.900 8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 101 115.973 8.594 8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.273 7.869 10.172 1.00 0.00 H new ATOM 1570 N LYS A 102 114.110 11.871 12.072 1.00 0.00 N ATOM 1571 CA LYS A 102 113.455 13.052 12.622 1.00 0.00 C ATOM 1572 C LYS A 102 114.464 14.002 13.273 1.00 0.00 C ATOM 1573 O LYS A 102 114.091 15.054 13.793 1.00 0.00 O ATOM 1574 CB LYS A 102 112.403 12.633 13.652 1.00 0.00 C ATOM 1575 CG LYS A 102 111.211 11.894 13.058 1.00 0.00 C ATOM 1576 CD LYS A 102 110.332 11.292 14.146 1.00 0.00 C ATOM 1577 CE LYS A 102 109.834 12.348 15.125 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.874 13.294 14.501 1.00 0.00 N ATOM 0 H LYS A 102 113.961 11.021 12.616 1.00 0.00 H new ATOM 0 HA LYS A 102 112.974 13.581 11.799 1.00 0.00 H new ATOM 0 HB2 LYS A 102 112.876 11.996 14.400 1.00 0.00 H new ATOM 0 HB3 LYS A 102 112.044 13.522 14.171 1.00 0.00 H new ATOM 0 HG2 LYS A 102 110.621 12.580 12.450 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.564 11.104 12.395 1.00 0.00 H new ATOM 0 HD2 LYS A 102 109.479 10.791 13.688 1.00 0.00 H new ATOM 0 HD3 LYS A 102 110.895 10.532 14.688 1.00 0.00 H new ATOM 0 HE2 LYS A 102 109.356 11.857 15.972 1.00 0.00 H new ATOM 0 HE3 LYS A 102 110.685 12.905 15.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 108.565 13.992 15.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 109.335 13.785 13.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 108.048 12.769 14.149 1.00 0.00 H new ATOM 1592 N ALA A 103 115.739 13.628 13.261 1.00 0.00 N ATOM 1593 CA ALA A 103 116.784 14.467 13.833 1.00 0.00 C ATOM 1594 C ALA A 103 117.318 15.450 12.797 1.00 0.00 C ATOM 1595 O ALA A 103 117.957 16.445 13.141 1.00 0.00 O ATOM 1596 CB ALA A 103 117.916 13.612 14.384 1.00 0.00 C ATOM 0 H ALA A 103 116.073 12.751 12.862 1.00 0.00 H new ATOM 0 HA ALA A 103 116.348 15.037 14.654 1.00 0.00 H new ATOM 0 HB1 ALA A 103 118.686 14.257 14.807 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.529 12.952 15.160 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.345 13.014 13.580 1.00 0.00 H new ATOM 1602 N GLU A 104 117.050 15.171 11.531 1.00 0.00 N ATOM 1603 CA GLU A 104 117.514 16.020 10.446 1.00 0.00 C ATOM 1604 C GLU A 104 116.330 16.529 9.627 1.00 0.00 C ATOM 1605 O GLU A 104 115.731 15.781 8.852 1.00 0.00 O ATOM 1606 CB GLU A 104 118.508 15.251 9.562 1.00 0.00 C ATOM 1607 CG GLU A 104 118.984 16.016 8.333 1.00 0.00 C ATOM 1608 CD GLU A 104 119.566 17.375 8.662 1.00 0.00 C ATOM 1609 OE1 GLU A 104 118.797 18.355 8.690 1.00 0.00 O ATOM 1610 OE2 GLU A 104 120.789 17.475 8.883 1.00 0.00 O ATOM 0 H GLU A 104 116.511 14.359 11.229 1.00 0.00 H new ATOM 0 HA GLU A 104 118.029 16.884 10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 104 119.375 14.980 10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 104 118.042 14.321 9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 104 119.736 15.423 7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 104 118.147 16.143 7.646 1.00 0.00 H new ATOM 1617 N PRO A 105 115.965 17.811 9.806 1.00 0.00 N ATOM 1618 CA PRO A 105 114.873 18.447 9.058 1.00 0.00 C ATOM 1619 C PRO A 105 115.084 18.395 7.546 1.00 0.00 C ATOM 1620 O PRO A 105 114.127 18.450 6.775 1.00 0.00 O ATOM 1621 CB PRO A 105 114.883 19.901 9.549 1.00 0.00 C ATOM 1622 CG PRO A 105 116.200 20.085 10.222 1.00 0.00 C ATOM 1623 CD PRO A 105 116.577 18.740 10.767 1.00 0.00 C ATOM 0 HA PRO A 105 113.926 17.935 9.229 1.00 0.00 H new ATOM 0 HB2 PRO A 105 114.766 20.597 8.718 1.00 0.00 H new ATOM 0 HB3 PRO A 105 114.060 20.088 10.239 1.00 0.00 H new ATOM 0 HG2 PRO A 105 116.951 20.445 9.519 1.00 0.00 H new ATOM 0 HG3 PRO A 105 116.130 20.824 11.020 1.00 0.00 H new ATOM 0 HD2 PRO A 105 117.658 18.614 10.818 1.00 0.00 H new ATOM 0 HD3 PRO A 105 116.191 18.590 11.775 1.00 0.00 H new ATOM 1631 N ARG A 106 116.337 18.271 7.123 1.00 0.00 N ATOM 1632 CA ARG A 106 116.658 18.165 5.703 1.00 0.00 C ATOM 1633 C ARG A 106 116.179 16.828 5.138 1.00 0.00 C ATOM 1634 O ARG A 106 116.022 16.671 3.927 1.00 0.00 O ATOM 1635 CB ARG A 106 118.163 18.330 5.490 1.00 0.00 C ATOM 1636 CG ARG A 106 118.663 19.729 5.820 1.00 0.00 C ATOM 1637 CD ARG A 106 120.146 19.739 6.149 1.00 0.00 C ATOM 1638 NE ARG A 106 120.979 19.316 5.027 1.00 0.00 N ATOM 1639 CZ ARG A 106 122.130 18.663 5.165 1.00 0.00 C ATOM 1640 NH1 ARG A 106 122.516 18.235 6.364 1.00 0.00 N ATOM 1641 NH2 ARG A 106 122.874 18.411 4.098 1.00 0.00 N ATOM 0 H ARG A 106 117.147 18.241 7.742 1.00 0.00 H new ATOM 0 HA ARG A 106 116.140 18.962 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 106 118.693 17.606 6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 106 118.404 18.100 4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 106 118.475 20.390 4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 106 118.101 20.125 6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 106 120.439 20.744 6.454 1.00 0.00 H new ATOM 0 HD3 ARG A 106 120.329 19.082 6.999 1.00 0.00 H new ATOM 0 HE ARG A 106 120.660 19.534 4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 106 121.929 18.407 7.180 1.00 0.00 H new ATOM 0 HH12 ARG A 106 123.399 17.735 6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 106 122.564 18.717 3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 106 123.757 17.911 4.199 1.00 0.00 H new ATOM 1655 N LEU A 107 115.935 15.870 6.025 1.00 0.00 N ATOM 1656 CA LEU A 107 115.408 14.572 5.628 1.00 0.00 C ATOM 1657 C LEU A 107 113.921 14.480 5.941 1.00 0.00 C ATOM 1658 O LEU A 107 113.282 13.462 5.685 1.00 0.00 O ATOM 1659 CB LEU A 107 116.159 13.443 6.337 1.00 0.00 C ATOM 1660 CG LEU A 107 117.597 13.230 5.869 1.00 0.00 C ATOM 1661 CD1 LEU A 107 118.271 12.146 6.697 1.00 0.00 C ATOM 1662 CD2 LEU A 107 117.627 12.869 4.390 1.00 0.00 C ATOM 0 H LEU A 107 116.095 15.970 7.027 1.00 0.00 H new ATOM 0 HA LEU A 107 115.550 14.466 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 107 116.168 13.649 7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 107 115.606 12.514 6.196 1.00 0.00 H new ATOM 0 HG LEU A 107 118.147 14.161 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 107 119.295 12.007 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 107 118.280 12.442 7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 107 117.721 11.211 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 107 118.659 12.721 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 107 117.062 11.951 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 107 117.181 13.677 3.809 1.00 0.00 H new ATOM 1674 N ALA A 108 113.368 15.562 6.477 1.00 0.00 N ATOM 1675 CA ALA A 108 111.959 15.596 6.848 1.00 0.00 C ATOM 1676 C ALA A 108 111.074 15.705 5.613 1.00 0.00 C ATOM 1677 O ALA A 108 109.859 15.514 5.687 1.00 0.00 O ATOM 1678 CB ALA A 108 111.684 16.747 7.803 1.00 0.00 C ATOM 0 H ALA A 108 113.874 16.427 6.664 1.00 0.00 H new ATOM 0 HA ALA A 108 111.721 14.661 7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 108 110.627 16.755 8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.283 16.623 8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 108 111.945 17.689 7.321 1.00 0.00 H new ATOM 1684 N ASP A 109 111.689 16.005 4.478 1.00 0.00 N ATOM 1685 CA ASP A 109 110.963 16.129 3.219 1.00 0.00 C ATOM 1686 C ASP A 109 110.883 14.780 2.508 1.00 0.00 C ATOM 1687 O ASP A 109 110.079 14.590 1.592 1.00 0.00 O ATOM 1688 CB ASP A 109 111.643 17.164 2.318 1.00 0.00 C ATOM 1689 CG ASP A 109 110.882 17.404 1.029 1.00 0.00 C ATOM 1690 OD1 ASP A 109 109.780 17.991 1.084 1.00 0.00 O ATOM 1691 OD2 ASP A 109 111.382 17.012 -0.047 1.00 0.00 O ATOM 0 H ASP A 109 112.693 16.168 4.402 1.00 0.00 H new ATOM 0 HA ASP A 109 109.948 16.463 3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 109 111.739 18.105 2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 109 112.653 16.828 2.082 1.00 0.00 H new ATOM 1696 N MET A 110 111.702 13.838 2.963 1.00 0.00 N ATOM 1697 CA MET A 110 111.764 12.508 2.367 1.00 0.00 C ATOM 1698 C MET A 110 110.435 11.770 2.545 1.00 0.00 C ATOM 1699 O MET A 110 109.757 11.940 3.561 1.00 0.00 O ATOM 1700 CB MET A 110 112.917 11.711 2.990 1.00 0.00 C ATOM 1701 CG MET A 110 113.123 10.328 2.387 1.00 0.00 C ATOM 1702 SD MET A 110 114.577 9.488 3.050 1.00 0.00 S ATOM 1703 CE MET A 110 114.267 9.585 4.811 1.00 0.00 C ATOM 0 H MET A 110 112.337 13.973 3.749 1.00 0.00 H new ATOM 0 HA MET A 110 111.947 12.611 1.297 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.839 12.283 2.881 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.733 11.604 4.059 1.00 0.00 H new ATOM 0 HG2 MET A 110 112.239 9.719 2.575 1.00 0.00 H new ATOM 0 HG3 MET A 110 113.223 10.419 1.305 1.00 0.00 H new ATOM 0 HE1 MET A 110 114.963 10.290 5.265 1.00 0.00 H new ATOM 0 HE2 MET A 110 113.245 9.923 4.982 1.00 0.00 H new ATOM 0 HE3 MET A 110 114.404 8.601 5.259 1.00 0.00 H new ATOM 1713 N ALA A 111 110.069 10.962 1.547 1.00 0.00 N ATOM 1714 CA ALA A 111 108.798 10.230 1.544 1.00 0.00 C ATOM 1715 C ALA A 111 108.607 9.386 2.803 1.00 0.00 C ATOM 1716 O ALA A 111 107.480 9.094 3.187 1.00 0.00 O ATOM 1717 CB ALA A 111 108.695 9.351 0.304 1.00 0.00 C ATOM 0 H ALA A 111 110.643 10.796 0.720 1.00 0.00 H new ATOM 0 HA ALA A 111 108.002 10.975 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 111 107.746 8.814 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.748 9.974 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 111 109.517 8.635 0.296 1.00 0.00 H new ATOM 1723 N LEU A 112 109.707 9.009 3.447 1.00 0.00 N ATOM 1724 CA LEU A 112 109.645 8.220 4.675 1.00 0.00 C ATOM 1725 C LEU A 112 108.971 9.007 5.795 1.00 0.00 C ATOM 1726 O LEU A 112 108.320 8.434 6.665 1.00 0.00 O ATOM 1727 CB LEU A 112 111.053 7.797 5.104 1.00 0.00 C ATOM 1728 CG LEU A 112 111.118 6.909 6.351 1.00 0.00 C ATOM 1729 CD1 LEU A 112 110.417 5.581 6.100 1.00 0.00 C ATOM 1730 CD2 LEU A 112 112.562 6.681 6.769 1.00 0.00 C ATOM 0 H LEU A 112 110.653 9.237 3.140 1.00 0.00 H new ATOM 0 HA LEU A 112 109.050 7.328 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 112 111.524 7.267 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 112 111.645 8.694 5.286 1.00 0.00 H new ATOM 0 HG LEU A 112 110.602 7.420 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 112 110.474 4.964 6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 112 109.372 5.763 5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 112 110.903 5.064 5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 112 112.588 6.048 7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 112 113.103 6.192 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 112 113.032 7.639 6.992 1.00 0.00 H new ATOM 1742 N MET A 113 109.128 10.322 5.754 1.00 0.00 N ATOM 1743 CA MET A 113 108.555 11.203 6.763 1.00 0.00 C ATOM 1744 C MET A 113 107.165 11.666 6.343 1.00 0.00 C ATOM 1745 O MET A 113 106.390 12.168 7.159 1.00 0.00 O ATOM 1746 CB MET A 113 109.466 12.408 6.973 1.00 0.00 C ATOM 1747 CG MET A 113 110.785 12.051 7.637 1.00 0.00 C ATOM 1748 SD MET A 113 110.560 11.422 9.309 1.00 0.00 S ATOM 1749 CE MET A 113 109.715 12.810 10.058 1.00 0.00 C ATOM 0 H MET A 113 109.653 10.807 5.026 1.00 0.00 H new ATOM 0 HA MET A 113 108.466 10.652 7.699 1.00 0.00 H new ATOM 0 HB2 MET A 113 109.667 12.876 6.009 1.00 0.00 H new ATOM 0 HB3 MET A 113 108.947 13.146 7.584 1.00 0.00 H new ATOM 0 HG2 MET A 113 111.301 11.302 7.036 1.00 0.00 H new ATOM 0 HG3 MET A 113 111.425 12.933 7.666 1.00 0.00 H new ATOM 0 HE1 MET A 113 109.179 12.474 10.945 1.00 0.00 H new ATOM 0 HE2 MET A 113 110.443 13.570 10.341 1.00 0.00 H new ATOM 0 HE3 MET A 113 109.007 13.233 9.345 1.00 0.00 H new ATOM 1759 N LYS A 114 106.860 11.498 5.062 1.00 0.00 N ATOM 1760 CA LYS A 114 105.566 11.891 4.521 1.00 0.00 C ATOM 1761 C LYS A 114 104.566 10.740 4.583 1.00 0.00 C ATOM 1762 O LYS A 114 103.462 10.886 5.110 1.00 0.00 O ATOM 1763 CB LYS A 114 105.702 12.348 3.062 1.00 0.00 C ATOM 1764 CG LYS A 114 106.232 13.763 2.876 1.00 0.00 C ATOM 1765 CD LYS A 114 106.292 14.126 1.397 1.00 0.00 C ATOM 1766 CE LYS A 114 106.498 15.618 1.169 1.00 0.00 C ATOM 1767 NZ LYS A 114 107.789 16.105 1.720 1.00 0.00 N ATOM 0 H LYS A 114 107.495 11.090 4.376 1.00 0.00 H new ATOM 0 HA LYS A 114 105.201 12.716 5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 114 106.365 11.657 2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 114 104.726 12.276 2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 114 105.590 14.469 3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 114 107.226 13.845 3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 114 107.104 13.574 0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 114 105.368 13.812 0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 114 106.461 15.827 0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 114 105.679 16.169 1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 108.136 16.897 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 107.650 16.426 2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 108.486 15.333 1.704 1.00 0.00 H new ATOM 1781 N TYR A 115 104.963 9.593 4.052 1.00 0.00 N ATOM 1782 CA TYR A 115 104.039 8.491 3.842 1.00 0.00 C ATOM 1783 C TYR A 115 104.289 7.337 4.808 1.00 0.00 C ATOM 1784 O TYR A 115 105.323 6.670 4.749 1.00 0.00 O ATOM 1785 CB TYR A 115 104.162 7.968 2.414 1.00 0.00 C ATOM 1786 CG TYR A 115 104.023 9.022 1.340 1.00 0.00 C ATOM 1787 CD1 TYR A 115 102.774 9.452 0.914 1.00 0.00 C ATOM 1788 CD2 TYR A 115 105.148 9.571 0.736 1.00 0.00 C ATOM 1789 CE1 TYR A 115 102.651 10.399 -0.084 1.00 0.00 C ATOM 1790 CE2 TYR A 115 105.033 10.519 -0.258 1.00 0.00 C ATOM 1791 CZ TYR A 115 103.784 10.930 -0.666 1.00 0.00 C ATOM 1792 OH TYR A 115 103.666 11.870 -1.661 1.00 0.00 O ATOM 0 H TYR A 115 105.921 9.402 3.759 1.00 0.00 H new ATOM 0 HA TYR A 115 103.037 8.879 4.022 1.00 0.00 H new ATOM 0 HB2 TYR A 115 105.131 7.481 2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 115 103.401 7.204 2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 115 101.885 9.040 1.369 1.00 0.00 H new ATOM 0 HD2 TYR A 115 106.130 9.249 1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 115 101.673 10.722 -0.407 1.00 0.00 H new ATOM 0 HE2 TYR A 115 105.918 10.937 -0.714 1.00 0.00 H new ATOM 0 HH TYR A 115 104.558 12.141 -1.962 1.00 0.00 H new ATOM 1802 N SER A 116 103.345 7.107 5.696 1.00 0.00 N ATOM 1803 CA SER A 116 103.364 5.920 6.534 1.00 0.00 C ATOM 1804 C SER A 116 102.670 4.760 5.822 1.00 0.00 C ATOM 1805 O SER A 116 102.871 3.594 6.159 1.00 0.00 O ATOM 1806 CB SER A 116 102.684 6.206 7.871 1.00 0.00 C ATOM 1807 OG SER A 116 103.349 7.245 8.569 1.00 0.00 O ATOM 0 H SER A 116 102.551 7.727 5.859 1.00 0.00 H new ATOM 0 HA SER A 116 104.401 5.642 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 116 101.644 6.485 7.701 1.00 0.00 H new ATOM 0 HB3 SER A 116 102.676 5.302 8.480 1.00 0.00 H new ATOM 0 HG SER A 116 102.894 7.410 9.421 1.00 0.00 H new ATOM 1813 N ARG A 117 101.862 5.096 4.820 1.00 0.00 N ATOM 1814 CA ARG A 117 101.018 4.118 4.140 1.00 0.00 C ATOM 1815 C ARG A 117 101.479 3.868 2.706 1.00 0.00 C ATOM 1816 O ARG A 117 100.733 3.337 1.884 1.00 0.00 O ATOM 1817 CB ARG A 117 99.567 4.605 4.169 1.00 0.00 C ATOM 1818 CG ARG A 117 99.014 4.693 5.578 1.00 0.00 C ATOM 1819 CD ARG A 117 97.645 5.349 5.630 1.00 0.00 C ATOM 1820 NE ARG A 117 97.079 5.273 6.977 1.00 0.00 N ATOM 1821 CZ ARG A 117 96.062 6.015 7.415 1.00 0.00 C ATOM 1822 NH1 ARG A 117 95.566 6.994 6.665 1.00 0.00 N ATOM 1823 NH2 ARG A 117 95.571 5.801 8.629 1.00 0.00 N ATOM 0 H ARG A 117 101.774 6.046 4.459 1.00 0.00 H new ATOM 0 HA ARG A 117 101.096 3.166 4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.506 5.585 3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 117 98.948 3.928 3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 117 98.949 3.691 6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 117 99.707 5.258 6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.726 6.392 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 117 96.976 4.860 4.922 1.00 0.00 H new ATOM 0 HE ARG A 117 97.492 4.605 7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 117 95.964 7.183 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 117 94.788 7.556 7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 117 95.972 5.073 9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 117 94.793 6.365 8.971 1.00 0.00 H new ATOM 1837 N LEU A 118 102.718 4.235 2.415 1.00 0.00 N ATOM 1838 CA LEU A 118 103.299 4.004 1.100 1.00 0.00 C ATOM 1839 C LEU A 118 104.414 2.971 1.208 1.00 0.00 C ATOM 1840 O LEU A 118 105.502 3.276 1.688 1.00 0.00 O ATOM 1841 CB LEU A 118 103.841 5.314 0.520 1.00 0.00 C ATOM 1842 CG LEU A 118 104.425 5.236 -0.893 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.340 4.935 -1.912 1.00 0.00 C ATOM 1844 CD2 LEU A 118 105.131 6.535 -1.245 1.00 0.00 C ATOM 0 H LEU A 118 103.344 4.696 3.075 1.00 0.00 H new ATOM 0 HA LEU A 118 102.527 3.626 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 118 103.035 6.047 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.613 5.692 1.190 1.00 0.00 H new ATOM 0 HG LEU A 118 105.151 4.423 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.780 4.885 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 118 102.872 3.980 -1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.588 5.724 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.541 6.465 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 118 104.420 7.360 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.939 6.714 -0.536 1.00 0.00 H new ATOM 1856 N SER A 119 104.126 1.745 0.790 1.00 0.00 N ATOM 1857 CA SER A 119 105.089 0.651 0.886 1.00 0.00 C ATOM 1858 C SER A 119 106.310 0.921 0.007 1.00 0.00 C ATOM 1859 O SER A 119 107.442 0.623 0.393 1.00 0.00 O ATOM 1860 CB SER A 119 104.423 -0.672 0.485 1.00 0.00 C ATOM 1861 OG SER A 119 105.302 -1.773 0.662 1.00 0.00 O ATOM 0 H SER A 119 103.230 1.481 0.380 1.00 0.00 H new ATOM 0 HA SER A 119 105.427 0.578 1.920 1.00 0.00 H new ATOM 0 HB2 SER A 119 103.524 -0.823 1.082 1.00 0.00 H new ATOM 0 HB3 SER A 119 104.108 -0.621 -0.557 1.00 0.00 H new ATOM 0 HG SER A 119 104.847 -2.600 0.399 1.00 0.00 H new ATOM 1867 N VAL A 120 106.073 1.496 -1.166 1.00 0.00 N ATOM 1868 CA VAL A 120 107.144 1.799 -2.103 1.00 0.00 C ATOM 1869 C VAL A 120 107.288 3.307 -2.273 1.00 0.00 C ATOM 1870 O VAL A 120 106.500 3.942 -2.973 1.00 0.00 O ATOM 1871 CB VAL A 120 106.890 1.148 -3.480 1.00 0.00 C ATOM 1872 CG1 VAL A 120 108.018 1.468 -4.447 1.00 0.00 C ATOM 1873 CG2 VAL A 120 106.718 -0.357 -3.337 1.00 0.00 C ATOM 0 H VAL A 120 105.143 1.762 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 120 108.066 1.388 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 120 105.968 1.563 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 120 107.816 0.998 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 120 108.090 2.548 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 120 108.958 1.088 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 120 106.540 -0.798 -4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.621 -0.787 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 120 105.869 -0.566 -2.686 1.00 0.00 H new ATOM 1883 N GLN A 121 108.288 3.872 -1.617 1.00 0.00 N ATOM 1884 CA GLN A 121 108.495 5.313 -1.614 1.00 0.00 C ATOM 1885 C GLN A 121 109.608 5.708 -2.580 1.00 0.00 C ATOM 1886 O GLN A 121 110.516 4.921 -2.836 1.00 0.00 O ATOM 1887 CB GLN A 121 108.862 5.778 -0.206 1.00 0.00 C ATOM 1888 CG GLN A 121 107.893 5.322 0.871 1.00 0.00 C ATOM 1889 CD GLN A 121 108.355 5.705 2.260 1.00 0.00 C ATOM 1890 OE1 GLN A 121 107.552 5.928 3.159 1.00 0.00 O ATOM 1891 NE2 GLN A 121 109.660 5.782 2.450 1.00 0.00 N ATOM 0 H GLN A 121 108.976 3.350 -1.074 1.00 0.00 H new ATOM 0 HA GLN A 121 107.569 5.790 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 121 109.859 5.410 0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 121 108.913 6.867 -0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 121 106.913 5.760 0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 121 107.775 4.240 0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 121 110.300 5.590 1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 121 110.028 6.034 3.367 1.00 0.00 H new ATOM 1900 N PRO A 122 109.539 6.926 -3.143 1.00 0.00 N ATOM 1901 CA PRO A 122 110.596 7.484 -3.975 1.00 0.00 C ATOM 1902 C PRO A 122 111.593 8.320 -3.167 1.00 0.00 C ATOM 1903 O PRO A 122 111.214 9.017 -2.224 1.00 0.00 O ATOM 1904 CB PRO A 122 109.825 8.370 -4.961 1.00 0.00 C ATOM 1905 CG PRO A 122 108.481 8.632 -4.336 1.00 0.00 C ATOM 1906 CD PRO A 122 108.410 7.853 -3.042 1.00 0.00 C ATOM 0 HA PRO A 122 111.199 6.711 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.358 9.304 -5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 122 109.715 7.873 -5.925 1.00 0.00 H new ATOM 0 HG2 PRO A 122 108.349 9.697 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 122 107.681 8.326 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.502 8.506 -2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.462 7.323 -2.943 1.00 0.00 H new ATOM 1914 N VAL A 123 112.866 8.234 -3.534 1.00 0.00 N ATOM 1915 CA VAL A 123 113.924 8.984 -2.862 1.00 0.00 C ATOM 1916 C VAL A 123 114.838 9.638 -3.900 1.00 0.00 C ATOM 1917 O VAL A 123 115.162 9.026 -4.918 1.00 0.00 O ATOM 1918 CB VAL A 123 114.768 8.064 -1.941 1.00 0.00 C ATOM 1919 CG1 VAL A 123 115.860 8.850 -1.233 1.00 0.00 C ATOM 1920 CG2 VAL A 123 113.887 7.352 -0.924 1.00 0.00 C ATOM 0 H VAL A 123 113.194 7.647 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 123 113.453 9.751 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 123 115.241 7.313 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.435 8.179 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.521 9.302 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.408 9.632 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.504 6.714 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.376 8.090 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.150 6.742 -1.445 1.00 0.00 H new ATOM 1930 N THR A 124 115.239 10.881 -3.663 1.00 0.00 N ATOM 1931 CA THR A 124 116.142 11.566 -4.580 1.00 0.00 C ATOM 1932 C THR A 124 117.595 11.279 -4.212 1.00 0.00 C ATOM 1933 O THR A 124 117.873 10.717 -3.152 1.00 0.00 O ATOM 1934 CB THR A 124 115.912 13.091 -4.583 1.00 0.00 C ATOM 1935 OG1 THR A 124 116.168 13.630 -3.282 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.488 13.428 -5.010 1.00 0.00 C ATOM 0 H THR A 124 114.957 11.431 -2.852 1.00 0.00 H new ATOM 0 HA THR A 124 115.931 11.185 -5.579 1.00 0.00 H new ATOM 0 HB THR A 124 116.601 13.536 -5.300 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.346 14.025 -2.924 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.353 14.510 -5.004 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.309 13.046 -6.015 1.00 0.00 H new ATOM 0 HG23 THR A 124 113.782 12.970 -4.317 1.00 0.00 H new ATOM 1944 N ALA A 125 118.516 11.673 -5.086 1.00 0.00 N ATOM 1945 CA ALA A 125 119.939 11.446 -4.864 1.00 0.00 C ATOM 1946 C ALA A 125 120.418 12.109 -3.579 1.00 0.00 C ATOM 1947 O ALA A 125 121.149 11.500 -2.801 1.00 0.00 O ATOM 1948 CB ALA A 125 120.745 11.951 -6.050 1.00 0.00 C ATOM 0 H ALA A 125 118.300 12.154 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 125 120.092 10.372 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 125 121.806 11.775 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.437 11.421 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.571 13.019 -6.180 1.00 0.00 H new ATOM 1954 N GLU A 126 119.996 13.347 -3.347 1.00 0.00 N ATOM 1955 CA GLU A 126 120.433 14.087 -2.169 1.00 0.00 C ATOM 1956 C GLU A 126 119.938 13.404 -0.898 1.00 0.00 C ATOM 1957 O GLU A 126 120.714 13.155 0.026 1.00 0.00 O ATOM 1958 CB GLU A 126 119.931 15.532 -2.221 1.00 0.00 C ATOM 1959 CG GLU A 126 120.594 16.438 -1.198 1.00 0.00 C ATOM 1960 CD GLU A 126 122.093 16.537 -1.404 1.00 0.00 C ATOM 1961 OE1 GLU A 126 122.518 17.190 -2.377 1.00 0.00 O ATOM 1962 OE2 GLU A 126 122.856 15.958 -0.602 1.00 0.00 O ATOM 0 H GLU A 126 119.355 13.857 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 126 121.523 14.100 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 126 120.106 15.934 -3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 126 118.853 15.540 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 126 120.154 17.434 -1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 126 120.391 16.060 -0.196 1.00 0.00 H new ATOM 1969 N GLU A 127 118.647 13.085 -0.872 1.00 0.00 N ATOM 1970 CA GLU A 127 118.042 12.389 0.260 1.00 0.00 C ATOM 1971 C GLU A 127 118.746 11.057 0.499 1.00 0.00 C ATOM 1972 O GLU A 127 119.139 10.739 1.622 1.00 0.00 O ATOM 1973 CB GLU A 127 116.551 12.160 -0.002 1.00 0.00 C ATOM 1974 CG GLU A 127 115.745 13.445 -0.087 1.00 0.00 C ATOM 1975 CD GLU A 127 114.364 13.234 -0.676 1.00 0.00 C ATOM 1976 OE1 GLU A 127 113.569 12.481 -0.086 1.00 0.00 O ATOM 1977 OE2 GLU A 127 114.067 13.835 -1.732 1.00 0.00 O ATOM 0 H GLU A 127 117.996 13.299 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 127 118.153 13.006 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.435 11.606 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.142 11.536 0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 127 115.648 13.874 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.287 14.169 -0.695 1.00 0.00 H new ATOM 1984 N TRP A 128 118.916 10.298 -0.578 1.00 0.00 N ATOM 1985 CA TRP A 128 119.593 9.006 -0.530 1.00 0.00 C ATOM 1986 C TRP A 128 120.988 9.133 0.075 1.00 0.00 C ATOM 1987 O TRP A 128 121.322 8.452 1.049 1.00 0.00 O ATOM 1988 CB TRP A 128 119.698 8.425 -1.945 1.00 0.00 C ATOM 1989 CG TRP A 128 120.414 7.110 -2.008 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.754 6.907 -2.195 1.00 0.00 C ATOM 1991 CD2 TRP A 128 119.826 5.813 -1.890 1.00 0.00 C ATOM 1992 NE1 TRP A 128 122.031 5.563 -2.189 1.00 0.00 N ATOM 1993 CE2 TRP A 128 120.863 4.871 -2.004 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.521 5.360 -1.692 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.633 3.503 -1.929 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.295 4.003 -1.619 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.346 3.088 -1.737 1.00 0.00 C ATOM 0 H TRP A 128 118.589 10.560 -1.508 1.00 0.00 H new ATOM 0 HA TRP A 128 119.006 8.339 0.102 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.694 8.301 -2.352 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.215 9.141 -2.584 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.486 7.690 -2.328 1.00 0.00 H new ATOM 0 HE1 TRP A 128 122.955 5.147 -2.304 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.704 6.060 -1.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.442 2.794 -2.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.289 3.640 -1.468 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.135 2.031 -1.675 1.00 0.00 H new ATOM 2008 N LYS A 129 121.795 10.008 -0.509 1.00 0.00 N ATOM 2009 CA LYS A 129 123.186 10.153 -0.111 1.00 0.00 C ATOM 2010 C LYS A 129 123.308 10.656 1.323 1.00 0.00 C ATOM 2011 O LYS A 129 124.216 10.247 2.050 1.00 0.00 O ATOM 2012 CB LYS A 129 123.922 11.093 -1.073 1.00 0.00 C ATOM 2013 CG LYS A 129 123.996 10.562 -2.499 1.00 0.00 C ATOM 2014 CD LYS A 129 124.773 11.495 -3.421 1.00 0.00 C ATOM 2015 CE LYS A 129 124.084 12.843 -3.573 1.00 0.00 C ATOM 2016 NZ LYS A 129 124.773 13.709 -4.564 1.00 0.00 N ATOM 0 H LYS A 129 121.507 10.631 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 129 123.649 9.168 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.420 12.061 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 129 124.933 11.261 -0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.470 9.580 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 129 122.987 10.427 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 129 125.778 11.643 -3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 129 124.882 11.030 -4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 129 123.050 12.689 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 129 124.056 13.348 -2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 124.273 14.618 -4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 125.752 13.877 -4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 124.777 13.239 -5.492 1.00 0.00 H new ATOM 2030 N LEU A 130 122.390 11.522 1.738 1.00 0.00 N ATOM 2031 CA LEU A 130 122.427 12.069 3.089 1.00 0.00 C ATOM 2032 C LEU A 130 122.153 10.979 4.121 1.00 0.00 C ATOM 2033 O LEU A 130 122.859 10.882 5.118 1.00 0.00 O ATOM 2034 CB LEU A 130 121.431 13.221 3.254 1.00 0.00 C ATOM 2035 CG LEU A 130 121.477 13.922 4.618 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.871 14.463 4.898 1.00 0.00 C ATOM 2037 CD2 LEU A 130 120.455 15.046 4.677 1.00 0.00 C ATOM 0 H LEU A 130 121.617 11.858 1.164 1.00 0.00 H new ATOM 0 HA LEU A 130 123.429 12.464 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.620 13.960 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.424 12.837 3.092 1.00 0.00 H new ATOM 0 HG LEU A 130 121.231 13.188 5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.881 14.956 5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.587 13.641 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 130 123.145 15.180 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.503 15.531 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 130 120.672 15.776 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.456 14.638 4.524 1.00 0.00 H new ATOM 2049 N VAL A 131 121.147 10.146 3.872 1.00 0.00 N ATOM 2050 CA VAL A 131 120.830 9.051 4.789 1.00 0.00 C ATOM 2051 C VAL A 131 121.992 8.059 4.862 1.00 0.00 C ATOM 2052 O VAL A 131 122.339 7.570 5.937 1.00 0.00 O ATOM 2053 CB VAL A 131 119.542 8.304 4.379 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.251 7.155 5.335 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.363 9.260 4.333 1.00 0.00 C ATOM 0 H VAL A 131 120.542 10.205 3.053 1.00 0.00 H new ATOM 0 HA VAL A 131 120.665 9.497 5.770 1.00 0.00 H new ATOM 0 HB VAL A 131 119.696 7.890 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.339 6.645 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 131 120.083 6.451 5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.122 7.545 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.464 8.716 4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.216 9.704 5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.561 10.048 3.606 1.00 0.00 H new ATOM 2065 N CYS A 132 122.601 7.785 3.714 1.00 0.00 N ATOM 2066 CA CYS A 132 123.742 6.880 3.652 1.00 0.00 C ATOM 2067 C CYS A 132 124.904 7.403 4.495 1.00 0.00 C ATOM 2068 O CYS A 132 125.444 6.686 5.341 1.00 0.00 O ATOM 2069 CB CYS A 132 124.190 6.689 2.203 1.00 0.00 C ATOM 2070 SG CYS A 132 122.937 5.945 1.136 1.00 0.00 S ATOM 0 H CYS A 132 122.324 8.177 2.814 1.00 0.00 H new ATOM 0 HA CYS A 132 123.431 5.917 4.058 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.474 7.657 1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 132 125.082 6.063 2.189 1.00 0.00 H new ATOM 0 HG CYS A 132 122.079 6.853 0.776 1.00 0.00 H new ATOM 2076 N LYS A 133 125.277 8.661 4.282 1.00 0.00 N ATOM 2077 CA LYS A 133 126.391 9.254 5.011 1.00 0.00 C ATOM 2078 C LYS A 133 126.028 9.433 6.485 1.00 0.00 C ATOM 2079 O LYS A 133 126.891 9.393 7.358 1.00 0.00 O ATOM 2080 CB LYS A 133 126.797 10.595 4.381 1.00 0.00 C ATOM 2081 CG LYS A 133 125.781 11.713 4.583 1.00 0.00 C ATOM 2082 CD LYS A 133 126.167 12.995 3.855 1.00 0.00 C ATOM 2083 CE LYS A 133 126.076 12.837 2.345 1.00 0.00 C ATOM 2084 NZ LYS A 133 126.264 14.133 1.637 1.00 0.00 N ATOM 0 H LYS A 133 124.826 9.286 3.614 1.00 0.00 H new ATOM 0 HA LYS A 133 127.245 8.579 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 133 127.753 10.907 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 133 126.952 10.449 3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 133 124.805 11.380 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 133 125.682 11.920 5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 133 125.513 13.806 4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 133 127.183 13.277 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 133 126.831 12.127 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 133 125.105 12.418 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 126.195 13.981 0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 125.528 14.803 1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 127.201 14.521 1.867 1.00 0.00 H new ATOM 2098 N MET A 134 124.735 9.595 6.746 1.00 0.00 N ATOM 2099 CA MET A 134 124.218 9.739 8.104 1.00 0.00 C ATOM 2100 C MET A 134 124.373 8.430 8.872 1.00 0.00 C ATOM 2101 O MET A 134 124.558 8.423 10.091 1.00 0.00 O ATOM 2102 CB MET A 134 122.743 10.139 8.046 1.00 0.00 C ATOM 2103 CG MET A 134 122.141 10.533 9.382 1.00 0.00 C ATOM 2104 SD MET A 134 120.384 10.899 9.244 1.00 0.00 S ATOM 2105 CE MET A 134 120.045 11.550 10.871 1.00 0.00 C ATOM 0 H MET A 134 124.016 9.630 6.023 1.00 0.00 H new ATOM 0 HA MET A 134 124.785 10.513 8.621 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.634 10.973 7.353 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.171 9.307 7.636 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.288 9.725 10.099 1.00 0.00 H new ATOM 0 HG3 MET A 134 122.664 11.406 9.773 1.00 0.00 H new ATOM 0 HE1 MET A 134 119.201 12.237 10.819 1.00 0.00 H new ATOM 0 HE2 MET A 134 119.805 10.730 11.548 1.00 0.00 H new ATOM 0 HE3 MET A 134 120.923 12.080 11.241 1.00 0.00 H new ATOM 2115 N GLY A 135 124.303 7.324 8.142 1.00 0.00 N ATOM 2116 CA GLY A 135 124.471 6.018 8.742 1.00 0.00 C ATOM 2117 C GLY A 135 125.928 5.613 8.837 1.00 0.00 C ATOM 2118 O GLY A 135 126.240 4.469 9.159 1.00 0.00 O ATOM 0 H GLY A 135 124.131 7.311 7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 135 124.031 6.019 9.739 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.928 5.278 8.154 1.00 0.00 H new ATOM 2122 N GLY A 136 126.820 6.553 8.542 1.00 0.00 N ATOM 2123 CA GLY A 136 128.243 6.295 8.660 1.00 0.00 C ATOM 2124 C GLY A 136 128.786 5.452 7.522 1.00 0.00 C ATOM 2125 O GLY A 136 129.744 4.702 7.701 1.00 0.00 O ATOM 0 H GLY A 136 126.581 7.492 8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.778 7.244 8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 136 128.438 5.789 9.606 1.00 0.00 H new ATOM 2129 N LEU A 137 128.179 5.577 6.347 1.00 0.00 N ATOM 2130 CA LEU A 137 128.614 4.817 5.180 1.00 0.00 C ATOM 2131 C LEU A 137 129.873 5.430 4.565 1.00 0.00 C ATOM 2132 O LEU A 137 130.558 4.795 3.762 1.00 0.00 O ATOM 2133 CB LEU A 137 127.495 4.758 4.138 1.00 0.00 C ATOM 2134 CG LEU A 137 127.777 3.875 2.921 1.00 0.00 C ATOM 2135 CD1 LEU A 137 127.904 2.415 3.332 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.684 4.043 1.881 1.00 0.00 C ATOM 0 H LEU A 137 127.386 6.196 6.177 1.00 0.00 H new ATOM 0 HA LEU A 137 128.851 3.804 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.588 4.399 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 137 127.291 5.771 3.791 1.00 0.00 H new ATOM 0 HG LEU A 137 128.724 4.188 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 137 128.104 1.805 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 137 128.724 2.307 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 137 126.975 2.086 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 137 126.899 3.408 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.725 3.757 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.642 5.084 1.562 1.00 0.00 H new ATOM 2148 N LEU A 138 130.178 6.666 4.945 1.00 0.00 N ATOM 2149 CA LEU A 138 131.373 7.333 4.449 1.00 0.00 C ATOM 2150 C LEU A 138 132.601 6.874 5.227 1.00 0.00 C ATOM 2151 O LEU A 138 133.005 7.507 6.204 1.00 0.00 O ATOM 2152 CB LEU A 138 131.240 8.858 4.532 1.00 0.00 C ATOM 2153 CG LEU A 138 130.170 9.474 3.628 1.00 0.00 C ATOM 2154 CD1 LEU A 138 130.207 10.992 3.721 1.00 0.00 C ATOM 2155 CD2 LEU A 138 130.358 9.021 2.185 1.00 0.00 C ATOM 0 H LEU A 138 129.617 7.222 5.591 1.00 0.00 H new ATOM 0 HA LEU A 138 131.491 7.060 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 138 131.020 9.131 5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 138 132.203 9.304 4.282 1.00 0.00 H new ATOM 0 HG LEU A 138 129.193 9.130 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 138 129.440 11.415 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 138 130.021 11.298 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 138 131.187 11.352 3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 138 129.587 9.470 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 138 131.340 9.333 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 138 130.281 7.935 2.132 1.00 0.00 H new ATOM 2167 N GLU A 139 133.170 5.753 4.809 1.00 0.00 N ATOM 2168 CA GLU A 139 134.342 5.199 5.466 1.00 0.00 C ATOM 2169 C GLU A 139 135.619 5.877 4.971 1.00 0.00 C ATOM 2170 O GLU A 139 136.313 5.366 4.088 1.00 0.00 O ATOM 2171 CB GLU A 139 134.405 3.681 5.259 1.00 0.00 C ATOM 2172 CG GLU A 139 134.109 3.243 3.832 1.00 0.00 C ATOM 2173 CD GLU A 139 134.272 1.754 3.632 1.00 0.00 C ATOM 2174 OE1 GLU A 139 135.409 1.310 3.368 1.00 0.00 O ATOM 2175 OE2 GLU A 139 133.267 1.020 3.735 1.00 0.00 O ATOM 0 H GLU A 139 132.836 5.208 4.014 1.00 0.00 H new ATOM 0 HA GLU A 139 134.260 5.393 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 139 135.397 3.326 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 139 133.693 3.202 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 139 133.090 3.531 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 139 134.774 3.772 3.149 1.00 0.00 H new ATOM 2182 N HIS A 140 135.875 7.071 5.514 1.00 0.00 N ATOM 2183 CA HIS A 140 137.085 7.855 5.224 1.00 0.00 C ATOM 2184 C HIS A 140 137.062 8.452 3.810 1.00 0.00 C ATOM 2185 O HIS A 140 137.837 9.353 3.514 1.00 0.00 O ATOM 2186 CB HIS A 140 138.354 7.009 5.434 1.00 0.00 C ATOM 2187 CG HIS A 140 139.633 7.783 5.294 1.00 0.00 C ATOM 2188 ND1 HIS A 140 140.180 8.518 6.321 1.00 0.00 N ATOM 2189 CD2 HIS A 140 140.465 7.942 4.238 1.00 0.00 C ATOM 2190 CE1 HIS A 140 141.289 9.098 5.902 1.00 0.00 C ATOM 2191 NE2 HIS A 140 141.484 8.766 4.642 1.00 0.00 N ATOM 0 H HIS A 140 135.244 7.527 6.173 1.00 0.00 H new ATOM 0 HA HIS A 140 137.101 8.687 5.928 1.00 0.00 H new ATOM 0 HB2 HIS A 140 138.319 6.561 6.427 1.00 0.00 H new ATOM 0 HB3 HIS A 140 138.356 6.190 4.714 1.00 0.00 H new ATOM 0 HD2 HIS A 140 140.348 7.502 3.259 1.00 0.00 H new ATOM 0 HE1 HIS A 140 141.929 9.737 6.492 1.00 0.00 H new ATOM 0 HE2 HIS A 140 142.265 9.072 4.062 1.00 0.00 H new ATOM 2200 N HIS A 141 136.165 7.944 2.963 1.00 0.00 N ATOM 2201 CA HIS A 141 136.001 8.376 1.564 1.00 0.00 C ATOM 2202 C HIS A 141 137.249 8.078 0.719 1.00 0.00 C ATOM 2203 O HIS A 141 138.373 8.024 1.218 1.00 0.00 O ATOM 2204 CB HIS A 141 135.566 9.863 1.448 1.00 0.00 C ATOM 2205 CG HIS A 141 136.668 10.886 1.317 1.00 0.00 C ATOM 2206 ND1 HIS A 141 137.356 11.113 0.142 1.00 0.00 N ATOM 2207 CD2 HIS A 141 137.174 11.770 2.213 1.00 0.00 C ATOM 2208 CE1 HIS A 141 138.230 12.084 0.324 1.00 0.00 C ATOM 2209 NE2 HIS A 141 138.140 12.500 1.569 1.00 0.00 N ATOM 0 H HIS A 141 135.516 7.204 3.231 1.00 0.00 H new ATOM 0 HA HIS A 141 135.186 7.781 1.153 1.00 0.00 H new ATOM 0 HB2 HIS A 141 134.909 9.958 0.583 1.00 0.00 H new ATOM 0 HB3 HIS A 141 134.973 10.113 2.328 1.00 0.00 H new ATOM 0 HD1 HIS A 141 137.211 10.608 -0.732 1.00 0.00 H new ATOM 0 HD2 HIS A 141 136.872 11.879 3.244 1.00 0.00 H new ATOM 0 HE1 HIS A 141 138.906 12.472 -0.423 1.00 0.00 H new ATOM 2218 N HIS A 142 137.035 7.876 -0.572 1.00 0.00 N ATOM 2219 CA HIS A 142 138.119 7.527 -1.484 1.00 0.00 C ATOM 2220 C HIS A 142 138.604 8.756 -2.236 1.00 0.00 C ATOM 2221 O HIS A 142 137.974 9.813 -2.192 1.00 0.00 O ATOM 2222 CB HIS A 142 137.669 6.465 -2.494 1.00 0.00 C ATOM 2223 CG HIS A 142 137.511 5.089 -1.921 1.00 0.00 C ATOM 2224 ND1 HIS A 142 138.407 4.068 -2.160 1.00 0.00 N ATOM 2225 CD2 HIS A 142 136.543 4.556 -1.136 1.00 0.00 C ATOM 2226 CE1 HIS A 142 137.998 2.973 -1.550 1.00 0.00 C ATOM 2227 NE2 HIS A 142 136.873 3.242 -0.920 1.00 0.00 N ATOM 0 H HIS A 142 136.119 7.947 -1.015 1.00 0.00 H new ATOM 0 HA HIS A 142 138.934 7.124 -0.884 1.00 0.00 H new ATOM 0 HB2 HIS A 142 136.719 6.775 -2.929 1.00 0.00 H new ATOM 0 HB3 HIS A 142 138.394 6.425 -3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 142 135.674 5.070 -0.752 1.00 0.00 H new ATOM 0 HE1 HIS A 142 138.500 2.017 -1.564 1.00 0.00 H new ATOM 0 HE2 HIS A 142 136.334 2.580 -0.362 1.00 0.00 H new ATOM 2236 N HIS A 143 139.732 8.613 -2.913 1.00 0.00 N ATOM 2237 CA HIS A 143 140.250 9.664 -3.777 1.00 0.00 C ATOM 2238 C HIS A 143 140.072 9.259 -5.231 1.00 0.00 C ATOM 2239 O HIS A 143 139.512 10.009 -6.029 1.00 0.00 O ATOM 2240 CB HIS A 143 141.730 9.940 -3.488 1.00 0.00 C ATOM 2241 CG HIS A 143 141.973 10.770 -2.263 1.00 0.00 C ATOM 2242 ND1 HIS A 143 142.508 12.037 -2.313 1.00 0.00 N ATOM 2243 CD2 HIS A 143 141.768 10.505 -0.951 1.00 0.00 C ATOM 2244 CE1 HIS A 143 142.620 12.515 -1.088 1.00 0.00 C ATOM 2245 NE2 HIS A 143 142.177 11.607 -0.242 1.00 0.00 N ATOM 0 H HIS A 143 140.311 7.774 -2.881 1.00 0.00 H new ATOM 0 HA HIS A 143 139.692 10.579 -3.579 1.00 0.00 H new ATOM 0 HB2 HIS A 143 142.251 8.989 -3.378 1.00 0.00 H new ATOM 0 HB3 HIS A 143 142.168 10.445 -4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 143 141.358 9.595 -0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 143 143.009 13.487 -0.823 1.00 0.00 H new ATOM 0 HE2 HIS A 143 142.144 11.707 0.773 1.00 0.00 H new ATOM 2254 N HIS A 144 140.551 8.054 -5.545 1.00 0.00 N ATOM 2255 CA HIS A 144 140.427 7.461 -6.875 1.00 0.00 C ATOM 2256 C HIS A 144 141.233 6.173 -6.910 1.00 0.00 C ATOM 2257 O HIS A 144 140.702 5.106 -7.212 1.00 0.00 O ATOM 2258 CB HIS A 144 140.935 8.409 -7.972 1.00 0.00 C ATOM 2259 CG HIS A 144 140.629 7.946 -9.367 1.00 0.00 C ATOM 2260 ND1 HIS A 144 139.685 8.551 -10.167 1.00 0.00 N ATOM 2261 CD2 HIS A 144 141.159 6.944 -10.111 1.00 0.00 C ATOM 2262 CE1 HIS A 144 139.647 7.943 -11.337 1.00 0.00 C ATOM 2263 NE2 HIS A 144 140.533 6.964 -11.333 1.00 0.00 N ATOM 0 H HIS A 144 141.040 7.458 -4.877 1.00 0.00 H new ATOM 0 HA HIS A 144 139.372 7.265 -7.068 1.00 0.00 H new ATOM 0 HB2 HIS A 144 140.492 9.393 -7.821 1.00 0.00 H new ATOM 0 HB3 HIS A 144 142.014 8.525 -7.867 1.00 0.00 H new ATOM 0 HD2 HIS A 144 141.932 6.256 -9.800 1.00 0.00 H new ATOM 0 HE1 HIS A 144 138.999 8.203 -12.161 1.00 0.00 H new ATOM 0 HE2 HIS A 144 140.721 6.329 -12.108 1.00 0.00 H new ATOM 2272 N HIS A 145 142.518 6.303 -6.582 1.00 0.00 N ATOM 2273 CA HIS A 145 143.456 5.182 -6.566 1.00 0.00 C ATOM 2274 C HIS A 145 143.491 4.501 -7.932 1.00 0.00 C ATOM 2275 O HIS A 145 142.982 3.369 -8.058 1.00 0.00 O ATOM 2276 CB HIS A 145 143.090 4.180 -5.465 1.00 0.00 C ATOM 2277 CG HIS A 145 144.147 3.150 -5.211 1.00 0.00 C ATOM 2278 ND1 HIS A 145 143.980 1.810 -5.488 1.00 0.00 N ATOM 2279 CD2 HIS A 145 145.389 3.271 -4.687 1.00 0.00 C ATOM 2280 CE1 HIS A 145 145.072 1.154 -5.147 1.00 0.00 C ATOM 2281 NE2 HIS A 145 145.942 2.016 -4.658 1.00 0.00 N ATOM 2282 OXT HIS A 145 143.999 5.126 -8.884 1.00 0.00 O ATOM 0 H HIS A 145 142.939 7.194 -6.319 1.00 0.00 H new ATOM 0 HA HIS A 145 144.452 5.568 -6.348 1.00 0.00 H new ATOM 0 HB2 HIS A 145 142.896 4.724 -4.541 1.00 0.00 H new ATOM 0 HB3 HIS A 145 142.163 3.676 -5.738 1.00 0.00 H new ATOM 0 HD2 HIS A 145 145.857 4.185 -4.354 1.00 0.00 H new ATOM 0 HE1 HIS A 145 145.228 0.090 -5.251 1.00 0.00 H new ATOM 0 HE2 HIS A 145 146.875 1.787 -4.314 1.00 0.00 H new TER 2291 HIS A 145