USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1032 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 102 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0508) USER MOD Set 1.2: A 113 MET CE :methyl -178:sc= -1.55 (180deg=-1.65) USER MOD Set 2.1: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 83 CYS SG : rot 73:sc= -1.36! USER MOD Set 3.1: A 7 LYS NZ :NH3+ -150:sc= 0.792 (180deg=-0.0113) USER MOD Set 3.2: A 121 GLN : amide:sc= -2.24! K(o=-1.5!,f=-4.2) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 120:sc= -0.308 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc=-0.00335 USER MOD Single : A 17 GLN : amide:sc= 0.372 K(o=0.37,f=-0.65) USER MOD Single : A 18 GLN : amide:sc= -0.325 K(o=-0.33,f=-3.9!) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.0754 (180deg=-0.499) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00384 USER MOD Single : A 33 ASN : amide:sc= 0.908 K(o=0.91,f=-6.6!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0384) USER MOD Single : A 39 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.052) USER MOD Single : A 40 MET CE :methyl 140:sc= -1.03 (180deg=-1.64) USER MOD Single : A 43 MET CE :methyl 159:sc= 0 (180deg=-0.615) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.254 USER MOD Single : A 53 HIS : no HD1:sc= -1.22 X(o=-1.2,f=-1.3) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.877 K(o=0.88,f=-2.8!) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc=-0.00346 (180deg=-0.138) USER MOD Single : A 87 LYS NZ :NH3+ -95:sc= 1.22 (180deg=0.181) USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 0.466 (180deg=-0.841) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc=-0.00833 (180deg=-0.136) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -115:sc= -1.18 (180deg=-1.8) USER MOD Single : A 114 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.03) 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 -76:sc= 0.953 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 CYS SG : rot 74:sc= 1.26 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 142:sc= -0.895 (180deg=-4.79!) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 116.544 5.323 -10.456 1.00 0.00 N ATOM 20 CA ALA A 2 116.290 6.227 -9.353 1.00 0.00 C ATOM 21 C ALA A 2 116.539 5.521 -8.030 1.00 0.00 C ATOM 22 O ALA A 2 117.037 4.390 -8.001 1.00 0.00 O ATOM 23 CB ALA A 2 114.862 6.756 -9.414 1.00 0.00 C ATOM 0 HA ALA A 2 116.972 7.073 -9.432 1.00 0.00 H new ATOM 0 HB1 ALA A 2 114.689 7.433 -8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 2 114.712 7.291 -10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 2 114.162 5.922 -9.356 1.00 0.00 H new ATOM 29 N TYR A 3 116.198 6.189 -6.943 1.00 0.00 N ATOM 30 CA TYR A 3 116.351 5.625 -5.617 1.00 0.00 C ATOM 31 C TYR A 3 114.984 5.521 -4.963 1.00 0.00 C ATOM 32 O TYR A 3 114.128 6.376 -5.179 1.00 0.00 O ATOM 33 CB TYR A 3 117.305 6.483 -4.785 1.00 0.00 C ATOM 34 CG TYR A 3 118.650 6.672 -5.449 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.611 5.668 -5.414 1.00 0.00 C ATOM 36 CD2 TYR A 3 118.952 7.844 -6.132 1.00 0.00 C ATOM 37 CE1 TYR A 3 120.835 5.827 -6.034 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.171 8.008 -6.759 1.00 0.00 C ATOM 39 CZ TYR A 3 121.109 6.998 -6.706 1.00 0.00 C ATOM 40 OH TYR A 3 122.324 7.158 -7.330 1.00 0.00 O ATOM 0 H TYR A 3 115.810 7.132 -6.955 1.00 0.00 H new ATOM 0 HA TYR A 3 116.783 4.627 -5.684 1.00 0.00 H new ATOM 0 HB2 TYR A 3 116.851 7.458 -4.610 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.448 6.018 -3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.397 4.747 -4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.222 8.639 -6.173 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.572 5.039 -5.992 1.00 0.00 H new ATOM 0 HE2 TYR A 3 120.389 8.923 -7.289 1.00 0.00 H new ATOM 0 HH TYR A 3 122.358 8.038 -7.759 1.00 0.00 H new ATOM 50 N TRP A 4 114.764 4.462 -4.206 1.00 0.00 N ATOM 51 CA TRP A 4 113.446 4.194 -3.652 1.00 0.00 C ATOM 52 C TRP A 4 113.535 3.805 -2.182 1.00 0.00 C ATOM 53 O TRP A 4 114.617 3.785 -1.598 1.00 0.00 O ATOM 54 CB TRP A 4 112.763 3.074 -4.448 1.00 0.00 C ATOM 55 CG TRP A 4 112.789 3.299 -5.933 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.688 2.782 -6.825 1.00 0.00 C ATOM 57 CD2 TRP A 4 111.887 4.106 -6.698 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.398 3.219 -8.093 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.299 4.034 -8.042 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.771 4.886 -6.378 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.634 4.707 -9.063 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.112 5.554 -7.392 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.545 5.462 -8.720 1.00 0.00 C ATOM 0 H TRP A 4 115.477 3.775 -3.960 1.00 0.00 H new ATOM 0 HA TRP A 4 112.854 5.106 -3.727 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.253 2.127 -4.222 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.728 2.984 -4.119 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.507 2.126 -6.569 1.00 0.00 H new ATOM 0 HE1 TRP A 4 113.917 2.976 -8.937 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.430 4.965 -5.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 111.965 4.636 -10.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.248 6.158 -7.156 1.00 0.00 H new ATOM 0 HH2 TRP A 4 110.009 5.998 -9.490 1.00 0.00 H new ATOM 74 N LEU A 5 112.392 3.495 -1.593 1.00 0.00 N ATOM 75 CA LEU A 5 112.329 3.069 -0.205 1.00 0.00 C ATOM 76 C LEU A 5 111.228 2.022 -0.049 1.00 0.00 C ATOM 77 O LEU A 5 110.080 2.261 -0.431 1.00 0.00 O ATOM 78 CB LEU A 5 112.067 4.286 0.703 1.00 0.00 C ATOM 79 CG LEU A 5 112.373 4.102 2.198 1.00 0.00 C ATOM 80 CD1 LEU A 5 112.472 5.457 2.882 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.304 3.261 2.881 1.00 0.00 C ATOM 0 H LEU A 5 111.486 3.531 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 5 113.279 2.624 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 5 112.661 5.122 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.019 4.569 0.601 1.00 0.00 H new ATOM 0 HG LEU A 5 113.326 3.580 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 5 112.689 5.315 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.271 6.039 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 5 111.527 5.989 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.549 3.149 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.336 3.753 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 5 111.260 2.278 2.412 1.00 0.00 H new ATOM 93 N VAL A 6 111.586 0.860 0.493 1.00 0.00 N ATOM 94 CA VAL A 6 110.628 -0.220 0.717 1.00 0.00 C ATOM 95 C VAL A 6 110.555 -0.563 2.203 1.00 0.00 C ATOM 96 O VAL A 6 111.537 -0.411 2.933 1.00 0.00 O ATOM 97 CB VAL A 6 110.980 -1.490 -0.095 1.00 0.00 C ATOM 98 CG1 VAL A 6 110.860 -1.220 -1.588 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.379 -1.985 0.242 1.00 0.00 C ATOM 0 H VAL A 6 112.538 0.642 0.787 1.00 0.00 H new ATOM 0 HA VAL A 6 109.657 0.136 0.374 1.00 0.00 H new ATOM 0 HB VAL A 6 110.269 -2.270 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.111 -2.124 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 6 109.838 -0.922 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.545 -0.420 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.600 -2.878 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 6 113.106 -1.208 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.434 -2.224 1.304 1.00 0.00 H new ATOM 109 N LYS A 7 109.392 -1.010 2.652 1.00 0.00 N ATOM 110 CA LYS A 7 109.180 -1.289 4.066 1.00 0.00 C ATOM 111 C LYS A 7 108.755 -2.738 4.271 1.00 0.00 C ATOM 112 O LYS A 7 107.866 -3.234 3.581 1.00 0.00 O ATOM 113 CB LYS A 7 108.119 -0.339 4.634 1.00 0.00 C ATOM 114 CG LYS A 7 108.456 1.130 4.430 1.00 0.00 C ATOM 115 CD LYS A 7 107.363 2.045 4.959 1.00 0.00 C ATOM 116 CE LYS A 7 107.721 3.507 4.749 1.00 0.00 C ATOM 117 NZ LYS A 7 107.817 3.862 3.306 1.00 0.00 N ATOM 0 H LYS A 7 108.581 -1.187 2.059 1.00 0.00 H new ATOM 0 HA LYS A 7 110.119 -1.130 4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 7 107.160 -0.553 4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 7 108.001 -0.533 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 7 109.395 1.359 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 7 108.608 1.323 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 7 106.423 1.822 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 7 107.208 1.855 6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.969 4.135 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 7 108.672 3.720 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 108.509 4.628 3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 108.122 3.029 2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 106.887 4.177 2.963 1.00 0.00 H new ATOM 131 N SER A 8 109.400 -3.413 5.214 1.00 0.00 N ATOM 132 CA SER A 8 109.094 -4.807 5.501 1.00 0.00 C ATOM 133 C SER A 8 109.224 -5.089 6.996 1.00 0.00 C ATOM 134 O SER A 8 110.024 -4.455 7.689 1.00 0.00 O ATOM 135 CB SER A 8 110.026 -5.728 4.705 1.00 0.00 C ATOM 136 OG SER A 8 109.736 -7.094 4.954 1.00 0.00 O ATOM 0 H SER A 8 110.140 -3.016 5.794 1.00 0.00 H new ATOM 0 HA SER A 8 108.064 -5.003 5.202 1.00 0.00 H new ATOM 0 HB2 SER A 8 109.923 -5.520 3.640 1.00 0.00 H new ATOM 0 HB3 SER A 8 111.062 -5.519 4.972 1.00 0.00 H new ATOM 0 HG SER A 8 109.486 -7.534 4.115 1.00 0.00 H new ATOM 142 N GLU A 9 108.434 -6.038 7.488 1.00 0.00 N ATOM 143 CA GLU A 9 108.464 -6.415 8.895 1.00 0.00 C ATOM 144 C GLU A 9 109.383 -7.611 9.117 1.00 0.00 C ATOM 145 O GLU A 9 109.306 -8.600 8.387 1.00 0.00 O ATOM 146 CB GLU A 9 107.059 -6.741 9.400 1.00 0.00 C ATOM 147 CG GLU A 9 106.188 -5.516 9.614 1.00 0.00 C ATOM 148 CD GLU A 9 104.858 -5.856 10.250 1.00 0.00 C ATOM 149 OE1 GLU A 9 104.851 -6.503 11.323 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.815 -5.465 9.691 1.00 0.00 O ATOM 0 H GLU A 9 107.762 -6.562 6.928 1.00 0.00 H new ATOM 0 HA GLU A 9 108.851 -5.566 9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 9 106.570 -7.403 8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 9 107.138 -7.288 10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 9 106.718 -4.803 10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 9 106.014 -5.025 8.656 1.00 0.00 H new ATOM 157 N PRO A 10 110.245 -7.545 10.151 1.00 0.00 N ATOM 158 CA PRO A 10 111.247 -8.583 10.432 1.00 0.00 C ATOM 159 C PRO A 10 110.630 -9.926 10.817 1.00 0.00 C ATOM 160 O PRO A 10 111.289 -10.964 10.742 1.00 0.00 O ATOM 161 CB PRO A 10 112.048 -8.020 11.614 1.00 0.00 C ATOM 162 CG PRO A 10 111.697 -6.573 11.685 1.00 0.00 C ATOM 163 CD PRO A 10 110.307 -6.453 11.136 1.00 0.00 C ATOM 0 HA PRO A 10 111.848 -8.789 9.546 1.00 0.00 H new ATOM 0 HB2 PRO A 10 111.790 -8.532 12.541 1.00 0.00 H new ATOM 0 HB3 PRO A 10 113.119 -8.156 11.462 1.00 0.00 H new ATOM 0 HG2 PRO A 10 111.743 -6.211 12.712 1.00 0.00 H new ATOM 0 HG3 PRO A 10 112.398 -5.973 11.105 1.00 0.00 H new ATOM 0 HD2 PRO A 10 109.554 -6.569 11.915 1.00 0.00 H new ATOM 0 HD3 PRO A 10 110.139 -5.481 10.672 1.00 0.00 H new ATOM 171 N SER A 11 109.374 -9.905 11.239 1.00 0.00 N ATOM 172 CA SER A 11 108.683 -11.126 11.623 1.00 0.00 C ATOM 173 C SER A 11 108.298 -11.939 10.385 1.00 0.00 C ATOM 174 O SER A 11 108.110 -13.154 10.457 1.00 0.00 O ATOM 175 CB SER A 11 107.442 -10.788 12.450 1.00 0.00 C ATOM 176 OG SER A 11 106.876 -11.953 13.027 1.00 0.00 O ATOM 0 H SER A 11 108.814 -9.057 11.324 1.00 0.00 H new ATOM 0 HA SER A 11 109.355 -11.731 12.231 1.00 0.00 H new ATOM 0 HB2 SER A 11 107.708 -10.082 13.237 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.703 -10.297 11.817 1.00 0.00 H new ATOM 0 HG SER A 11 106.085 -11.707 13.551 1.00 0.00 H new ATOM 182 N VAL A 12 108.191 -11.263 9.248 1.00 0.00 N ATOM 183 CA VAL A 12 107.826 -11.919 8.001 1.00 0.00 C ATOM 184 C VAL A 12 109.057 -12.087 7.119 1.00 0.00 C ATOM 185 O VAL A 12 109.353 -13.183 6.637 1.00 0.00 O ATOM 186 CB VAL A 12 106.751 -11.116 7.235 1.00 0.00 C ATOM 187 CG1 VAL A 12 106.326 -11.848 5.971 1.00 0.00 C ATOM 188 CG2 VAL A 12 105.547 -10.843 8.128 1.00 0.00 C ATOM 0 H VAL A 12 108.352 -10.259 9.165 1.00 0.00 H new ATOM 0 HA VAL A 12 107.413 -12.897 8.249 1.00 0.00 H new ATOM 0 HB VAL A 12 107.186 -10.160 6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 12 105.569 -11.263 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 12 107.191 -11.984 5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 12 105.914 -12.822 6.236 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.801 -10.276 7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 12 105.115 -11.789 8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 12 105.863 -10.268 8.999 1.00 0.00 H new ATOM 198 N TRP A 13 109.779 -10.994 6.926 1.00 0.00 N ATOM 199 CA TRP A 13 110.986 -11.009 6.122 1.00 0.00 C ATOM 200 C TRP A 13 112.084 -10.236 6.840 1.00 0.00 C ATOM 201 O TRP A 13 111.897 -9.078 7.214 1.00 0.00 O ATOM 202 CB TRP A 13 110.705 -10.398 4.746 1.00 0.00 C ATOM 203 CG TRP A 13 111.769 -10.688 3.735 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.649 -9.800 3.185 1.00 0.00 C ATOM 205 CD2 TRP A 13 112.067 -11.961 3.152 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.472 -10.444 2.294 1.00 0.00 N ATOM 207 CE2 TRP A 13 113.136 -11.772 2.259 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.533 -13.245 3.300 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.680 -12.815 1.518 1.00 0.00 C ATOM 210 CZ3 TRP A 13 112.074 -14.280 2.561 1.00 0.00 C ATOM 211 CH2 TRP A 13 113.139 -14.060 1.682 1.00 0.00 C ATOM 0 H TRP A 13 109.546 -10.082 7.319 1.00 0.00 H new ATOM 0 HA TRP A 13 111.317 -12.038 5.979 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.752 -10.777 4.377 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.600 -9.318 4.851 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.691 -8.746 3.417 1.00 0.00 H new ATOM 0 HE1 TRP A 13 114.213 -10.005 1.747 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.713 -13.425 3.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.501 -12.648 0.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 111.667 -15.275 2.664 1.00 0.00 H new ATOM 0 HH2 TRP A 13 113.542 -14.890 1.121 1.00 0.00 H new ATOM 222 N SER A 14 113.225 -10.873 7.044 1.00 0.00 N ATOM 223 CA SER A 14 114.298 -10.257 7.808 1.00 0.00 C ATOM 224 C SER A 14 115.474 -9.897 6.902 1.00 0.00 C ATOM 225 O SER A 14 115.470 -10.216 5.711 1.00 0.00 O ATOM 226 CB SER A 14 114.742 -11.188 8.939 1.00 0.00 C ATOM 227 OG SER A 14 115.642 -10.536 9.817 1.00 0.00 O ATOM 0 H SER A 14 113.432 -11.809 6.695 1.00 0.00 H new ATOM 0 HA SER A 14 113.924 -9.333 8.249 1.00 0.00 H new ATOM 0 HB2 SER A 14 113.869 -11.529 9.496 1.00 0.00 H new ATOM 0 HB3 SER A 14 115.218 -12.074 8.518 1.00 0.00 H new ATOM 0 HG SER A 14 115.908 -11.153 10.530 1.00 0.00 H new ATOM 233 N TRP A 15 116.479 -9.233 7.468 1.00 0.00 N ATOM 234 CA TRP A 15 117.621 -8.773 6.693 1.00 0.00 C ATOM 235 C TRP A 15 118.539 -9.939 6.350 1.00 0.00 C ATOM 236 O TRP A 15 118.901 -10.124 5.192 1.00 0.00 O ATOM 237 CB TRP A 15 118.382 -7.681 7.453 1.00 0.00 C ATOM 238 CG TRP A 15 119.608 -7.191 6.741 1.00 0.00 C ATOM 239 CD1 TRP A 15 120.895 -7.265 7.189 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.666 -6.563 5.453 1.00 0.00 C ATOM 241 NE1 TRP A 15 121.749 -6.718 6.263 1.00 0.00 N ATOM 242 CE2 TRP A 15 121.018 -6.281 5.189 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.705 -6.212 4.500 1.00 0.00 C ATOM 244 CZ2 TRP A 15 121.433 -5.665 4.011 1.00 0.00 C ATOM 245 CZ3 TRP A 15 119.120 -5.600 3.332 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.474 -5.333 3.097 1.00 0.00 C ATOM 0 H TRP A 15 116.523 -9.003 8.461 1.00 0.00 H new ATOM 0 HA TRP A 15 117.256 -8.344 5.760 1.00 0.00 H new ATOM 0 HB2 TRP A 15 117.713 -6.838 7.627 1.00 0.00 H new ATOM 0 HB3 TRP A 15 118.671 -8.066 8.431 1.00 0.00 H new ATOM 0 HD1 TRP A 15 121.198 -7.692 8.134 1.00 0.00 H new ATOM 0 HE1 TRP A 15 122.762 -6.648 6.359 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.658 -6.415 4.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 122.477 -5.457 3.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 118.387 -5.323 2.588 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.766 -4.855 2.174 1.00 0.00 H new ATOM 257 N ASP A 16 118.895 -10.735 7.356 1.00 0.00 N ATOM 258 CA ASP A 16 119.691 -11.946 7.133 1.00 0.00 C ATOM 259 C ASP A 16 118.967 -12.861 6.160 1.00 0.00 C ATOM 260 O ASP A 16 119.573 -13.485 5.287 1.00 0.00 O ATOM 261 CB ASP A 16 119.928 -12.693 8.447 1.00 0.00 C ATOM 262 CG ASP A 16 120.839 -11.952 9.399 1.00 0.00 C ATOM 263 OD1 ASP A 16 120.371 -10.995 10.057 1.00 0.00 O ATOM 264 OD2 ASP A 16 122.024 -12.330 9.504 1.00 0.00 O ATOM 0 H ASP A 16 118.647 -10.567 8.331 1.00 0.00 H new ATOM 0 HA ASP A 16 120.655 -11.651 6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 16 118.969 -12.869 8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 16 120.359 -13.670 8.229 1.00 0.00 H new ATOM 269 N GLN A 17 117.655 -12.907 6.322 1.00 0.00 N ATOM 270 CA GLN A 17 116.773 -13.680 5.461 1.00 0.00 C ATOM 271 C GLN A 17 116.864 -13.202 4.005 1.00 0.00 C ATOM 272 O GLN A 17 116.649 -13.974 3.071 1.00 0.00 O ATOM 273 CB GLN A 17 115.343 -13.547 5.994 1.00 0.00 C ATOM 274 CG GLN A 17 114.297 -14.332 5.226 1.00 0.00 C ATOM 275 CD GLN A 17 114.583 -15.818 5.179 1.00 0.00 C ATOM 276 OE1 GLN A 17 115.203 -16.381 6.080 1.00 0.00 O ATOM 277 NE2 GLN A 17 114.109 -16.463 4.129 1.00 0.00 N ATOM 0 H GLN A 17 117.166 -12.404 7.063 1.00 0.00 H new ATOM 0 HA GLN A 17 117.075 -14.727 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 17 115.328 -13.871 7.034 1.00 0.00 H new ATOM 0 HB3 GLN A 17 115.064 -12.493 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 17 113.321 -14.171 5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 17 114.238 -13.947 4.208 1.00 0.00 H new ATOM 0 HE21 GLN A 17 113.600 -15.955 3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 17 114.251 -17.469 4.042 1.00 0.00 H new ATOM 286 N GLN A 18 117.204 -11.932 3.822 1.00 0.00 N ATOM 287 CA GLN A 18 117.327 -11.354 2.489 1.00 0.00 C ATOM 288 C GLN A 18 118.770 -11.445 1.986 1.00 0.00 C ATOM 289 O GLN A 18 119.004 -11.550 0.782 1.00 0.00 O ATOM 290 CB GLN A 18 116.859 -9.893 2.508 1.00 0.00 C ATOM 291 CG GLN A 18 116.931 -9.197 1.155 1.00 0.00 C ATOM 292 CD GLN A 18 116.037 -9.833 0.113 1.00 0.00 C ATOM 293 OE1 GLN A 18 114.871 -9.474 -0.020 1.00 0.00 O ATOM 294 NE2 GLN A 18 116.578 -10.779 -0.636 1.00 0.00 N ATOM 0 H GLN A 18 117.400 -11.281 4.582 1.00 0.00 H new ATOM 0 HA GLN A 18 116.695 -11.921 1.806 1.00 0.00 H new ATOM 0 HB2 GLN A 18 115.831 -9.857 2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 18 117.467 -9.338 3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 18 116.651 -8.151 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 18 117.961 -9.212 0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 18 117.551 -11.048 -0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 18 116.022 -11.239 -1.356 1.00 0.00 H new ATOM 303 N VAL A 19 119.730 -11.410 2.910 1.00 0.00 N ATOM 304 CA VAL A 19 121.146 -11.525 2.561 1.00 0.00 C ATOM 305 C VAL A 19 121.425 -12.869 1.895 1.00 0.00 C ATOM 306 O VAL A 19 122.220 -12.959 0.955 1.00 0.00 O ATOM 307 CB VAL A 19 122.055 -11.362 3.803 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.516 -11.597 3.447 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.882 -9.979 4.414 1.00 0.00 C ATOM 0 H VAL A 19 119.552 -11.303 3.909 1.00 0.00 H new ATOM 0 HA VAL A 19 121.374 -10.720 1.863 1.00 0.00 H new ATOM 0 HB VAL A 19 121.756 -12.111 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 19 124.132 -11.476 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.637 -12.607 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.827 -10.876 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 19 122.529 -9.883 5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 19 122.149 -9.220 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.844 -9.842 4.716 1.00 0.00 H new ATOM 319 N ALA A 20 120.742 -13.906 2.372 1.00 0.00 N ATOM 320 CA ALA A 20 120.850 -15.237 1.783 1.00 0.00 C ATOM 321 C ALA A 20 120.384 -15.225 0.329 1.00 0.00 C ATOM 322 O ALA A 20 120.774 -16.072 -0.477 1.00 0.00 O ATOM 323 CB ALA A 20 120.035 -16.234 2.592 1.00 0.00 C ATOM 0 H ALA A 20 120.106 -13.849 3.167 1.00 0.00 H new ATOM 0 HA ALA A 20 121.897 -15.539 1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 20 120.122 -17.224 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 20 120.409 -16.264 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 20 118.988 -15.929 2.597 1.00 0.00 H new ATOM 329 N LYS A 21 119.554 -14.245 -0.002 1.00 0.00 N ATOM 330 CA LYS A 21 119.046 -14.090 -1.353 1.00 0.00 C ATOM 331 C LYS A 21 119.674 -12.869 -2.015 1.00 0.00 C ATOM 332 O LYS A 21 119.048 -12.206 -2.837 1.00 0.00 O ATOM 333 CB LYS A 21 117.521 -13.959 -1.342 1.00 0.00 C ATOM 334 CG LYS A 21 116.824 -15.136 -0.685 1.00 0.00 C ATOM 335 CD LYS A 21 115.368 -15.233 -1.101 1.00 0.00 C ATOM 336 CE LYS A 21 114.733 -16.523 -0.605 1.00 0.00 C ATOM 337 NZ LYS A 21 115.395 -17.726 -1.181 1.00 0.00 N ATOM 0 H LYS A 21 119.217 -13.541 0.655 1.00 0.00 H new ATOM 0 HA LYS A 21 119.313 -14.978 -1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.245 -13.044 -0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 21 117.164 -13.860 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.340 -16.059 -0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 21 116.886 -15.037 0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 21 114.818 -14.379 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 21 115.295 -15.184 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 21 114.793 -16.562 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 21 113.675 -16.531 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 114.763 -18.547 -1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 115.605 -17.559 -2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 116.281 -17.913 -0.669 1.00 0.00 H new ATOM 351 N GLY A 22 120.918 -12.584 -1.645 1.00 0.00 N ATOM 352 CA GLY A 22 121.628 -11.451 -2.209 1.00 0.00 C ATOM 353 C GLY A 22 121.972 -11.641 -3.675 1.00 0.00 C ATOM 354 O GLY A 22 122.173 -10.668 -4.402 1.00 0.00 O ATOM 0 H GLY A 22 121.450 -13.121 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 22 121.019 -10.554 -2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.545 -11.285 -1.644 1.00 0.00 H new ATOM 358 N ALA A 23 122.039 -12.889 -4.114 1.00 0.00 N ATOM 359 CA ALA A 23 122.356 -13.187 -5.501 1.00 0.00 C ATOM 360 C ALA A 23 121.088 -13.419 -6.313 1.00 0.00 C ATOM 361 O ALA A 23 120.921 -12.855 -7.394 1.00 0.00 O ATOM 362 CB ALA A 23 123.264 -14.403 -5.589 1.00 0.00 C ATOM 0 H ALA A 23 121.878 -13.710 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 23 122.878 -12.326 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.492 -14.612 -6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 23 124.190 -14.206 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 23 122.763 -15.264 -5.147 1.00 0.00 H new ATOM 368 N ALA A 24 120.194 -14.242 -5.777 1.00 0.00 N ATOM 369 CA ALA A 24 118.969 -14.609 -6.482 1.00 0.00 C ATOM 370 C ALA A 24 117.936 -13.490 -6.436 1.00 0.00 C ATOM 371 O ALA A 24 117.245 -13.230 -7.420 1.00 0.00 O ATOM 372 CB ALA A 24 118.384 -15.882 -5.892 1.00 0.00 C ATOM 0 H ALA A 24 120.294 -14.669 -4.856 1.00 0.00 H new ATOM 0 HA ALA A 24 119.229 -14.781 -7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 24 117.471 -16.145 -6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 24 119.106 -16.693 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 24 118.154 -15.723 -4.838 1.00 0.00 H new ATOM 378 N GLY A 25 117.837 -12.832 -5.287 1.00 0.00 N ATOM 379 CA GLY A 25 116.856 -11.778 -5.111 1.00 0.00 C ATOM 380 C GLY A 25 115.469 -12.318 -4.822 1.00 0.00 C ATOM 381 O GLY A 25 115.144 -13.452 -5.181 1.00 0.00 O ATOM 0 H GLY A 25 118.422 -13.011 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.168 -11.129 -4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 25 116.823 -11.163 -6.010 1.00 0.00 H new ATOM 385 N GLU A 26 114.650 -11.514 -4.167 1.00 0.00 N ATOM 386 CA GLU A 26 113.287 -11.912 -3.856 1.00 0.00 C ATOM 387 C GLU A 26 112.297 -11.146 -4.715 1.00 0.00 C ATOM 388 O GLU A 26 112.466 -9.949 -4.956 1.00 0.00 O ATOM 389 CB GLU A 26 112.980 -11.688 -2.377 1.00 0.00 C ATOM 390 CG GLU A 26 112.684 -12.972 -1.625 1.00 0.00 C ATOM 391 CD GLU A 26 111.461 -13.697 -2.148 1.00 0.00 C ATOM 392 OE1 GLU A 26 111.600 -14.514 -3.083 1.00 0.00 O ATOM 393 OE2 GLU A 26 110.359 -13.475 -1.614 1.00 0.00 O ATOM 0 H GLU A 26 114.904 -10.582 -3.840 1.00 0.00 H new ATOM 0 HA GLU A 26 113.190 -12.976 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 26 113.828 -11.188 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 26 112.125 -11.017 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 26 113.548 -13.633 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 26 112.540 -12.743 -0.569 1.00 0.00 H new ATOM 400 N ALA A 27 111.271 -11.844 -5.174 1.00 0.00 N ATOM 401 CA ALA A 27 110.255 -11.238 -6.011 1.00 0.00 C ATOM 402 C ALA A 27 109.218 -10.521 -5.158 1.00 0.00 C ATOM 403 O ALA A 27 108.428 -11.158 -4.453 1.00 0.00 O ATOM 404 CB ALA A 27 109.592 -12.288 -6.890 1.00 0.00 C ATOM 0 H ALA A 27 111.122 -12.834 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 27 110.735 -10.503 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 27 108.832 -11.815 -7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.343 -12.756 -7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 27 109.126 -13.047 -6.262 1.00 0.00 H new ATOM 410 N TRP A 28 109.236 -9.198 -5.214 1.00 0.00 N ATOM 411 CA TRP A 28 108.274 -8.383 -4.491 1.00 0.00 C ATOM 412 C TRP A 28 106.929 -8.458 -5.207 1.00 0.00 C ATOM 413 O TRP A 28 106.613 -7.621 -6.052 1.00 0.00 O ATOM 414 CB TRP A 28 108.777 -6.935 -4.407 1.00 0.00 C ATOM 415 CG TRP A 28 108.390 -6.217 -3.145 1.00 0.00 C ATOM 416 CD1 TRP A 28 107.767 -5.006 -3.043 1.00 0.00 C ATOM 417 CD2 TRP A 28 108.611 -6.667 -1.800 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.599 -4.670 -1.720 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.101 -5.676 -0.939 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.190 -7.811 -1.242 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.153 -5.797 0.448 1.00 0.00 C ATOM 422 CZ3 TRP A 28 109.239 -7.929 0.134 1.00 0.00 C ATOM 423 CH2 TRP A 28 108.723 -6.928 0.965 1.00 0.00 C ATOM 0 H TRP A 28 109.913 -8.663 -5.758 1.00 0.00 H new ATOM 0 HA TRP A 28 108.154 -8.755 -3.473 1.00 0.00 H new ATOM 0 HB2 TRP A 28 109.864 -6.935 -4.492 1.00 0.00 H new ATOM 0 HB3 TRP A 28 108.390 -6.378 -5.261 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.452 -4.400 -3.880 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.170 -3.811 -1.376 1.00 0.00 H new ATOM 0 HE3 TRP A 28 109.592 -8.588 -1.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 107.757 -5.025 1.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 109.683 -8.809 0.576 1.00 0.00 H new ATOM 0 HH2 TRP A 28 108.776 -7.051 2.037 1.00 0.00 H new ATOM 434 N THR A 29 106.170 -9.499 -4.891 1.00 0.00 N ATOM 435 CA THR A 29 104.952 -9.827 -5.615 1.00 0.00 C ATOM 436 C THR A 29 103.700 -9.485 -4.815 1.00 0.00 C ATOM 437 O THR A 29 103.772 -9.183 -3.619 1.00 0.00 O ATOM 438 CB THR A 29 104.924 -11.330 -5.956 1.00 0.00 C ATOM 439 OG1 THR A 29 105.270 -12.098 -4.791 1.00 0.00 O ATOM 440 CG2 THR A 29 105.887 -11.656 -7.086 1.00 0.00 C ATOM 0 H THR A 29 106.382 -10.139 -4.126 1.00 0.00 H new ATOM 0 HA THR A 29 104.954 -9.229 -6.527 1.00 0.00 H new ATOM 0 HB THR A 29 103.916 -11.586 -6.282 1.00 0.00 H new ATOM 0 HG1 THR A 29 105.250 -13.053 -5.011 1.00 0.00 H new ATOM 0 HG21 THR A 29 105.845 -12.723 -7.304 1.00 0.00 H new ATOM 0 HG22 THR A 29 105.607 -11.093 -7.976 1.00 0.00 H new ATOM 0 HG23 THR A 29 106.901 -11.386 -6.789 1.00 0.00 H new ATOM 448 N GLY A 30 102.557 -9.532 -5.487 1.00 0.00 N ATOM 449 CA GLY A 30 101.284 -9.360 -4.818 1.00 0.00 C ATOM 450 C GLY A 30 100.866 -7.912 -4.686 1.00 0.00 C ATOM 451 O GLY A 30 99.782 -7.619 -4.170 1.00 0.00 O ATOM 0 H GLY A 30 102.490 -9.688 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.516 -9.903 -5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.340 -9.806 -3.825 1.00 0.00 H new ATOM 455 N VAL A 31 101.712 -7.009 -5.158 1.00 0.00 N ATOM 456 CA VAL A 31 101.441 -5.586 -5.058 1.00 0.00 C ATOM 457 C VAL A 31 100.332 -5.168 -6.022 1.00 0.00 C ATOM 458 O VAL A 31 100.516 -5.113 -7.237 1.00 0.00 O ATOM 459 CB VAL A 31 102.710 -4.740 -5.298 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.658 -4.858 -4.112 1.00 0.00 C ATOM 461 CG2 VAL A 31 103.415 -5.165 -6.577 1.00 0.00 C ATOM 0 H VAL A 31 102.594 -7.239 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 31 101.104 -5.397 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 31 102.406 -3.699 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.548 -4.256 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.159 -4.502 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 31 103.946 -5.901 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 31 104.305 -4.553 -6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 31 103.703 -6.214 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 31 102.742 -5.033 -7.424 1.00 0.00 H new ATOM 471 N ARG A 32 99.169 -4.894 -5.463 1.00 0.00 N ATOM 472 CA ARG A 32 98.018 -4.493 -6.253 1.00 0.00 C ATOM 473 C ARG A 32 97.610 -3.071 -5.898 1.00 0.00 C ATOM 474 O ARG A 32 96.595 -2.559 -6.368 1.00 0.00 O ATOM 475 CB ARG A 32 96.864 -5.480 -6.048 1.00 0.00 C ATOM 476 CG ARG A 32 96.433 -5.641 -4.601 1.00 0.00 C ATOM 477 CD ARG A 32 95.904 -7.042 -4.336 1.00 0.00 C ATOM 478 NE ARG A 32 96.969 -8.047 -4.420 1.00 0.00 N ATOM 479 CZ ARG A 32 96.766 -9.347 -4.651 1.00 0.00 C ATOM 480 NH1 ARG A 32 95.541 -9.818 -4.849 1.00 0.00 N ATOM 481 NH2 ARG A 32 97.796 -10.180 -4.677 1.00 0.00 N ATOM 0 H ARG A 32 98.995 -4.942 -4.459 1.00 0.00 H new ATOM 0 HA ARG A 32 98.284 -4.510 -7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 32 96.008 -5.148 -6.636 1.00 0.00 H new ATOM 0 HB3 ARG A 32 97.160 -6.454 -6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 32 97.278 -5.438 -3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 32 95.662 -4.908 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 32 95.447 -7.078 -3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 32 95.122 -7.279 -5.058 1.00 0.00 H new ATOM 0 HE ARG A 32 97.931 -7.732 -4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 32 94.741 -9.185 -4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 32 95.399 -10.813 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 32 98.741 -9.828 -4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 32 97.644 -11.173 -4.853 1.00 0.00 H new ATOM 495 N ASN A 33 98.424 -2.435 -5.064 1.00 0.00 N ATOM 496 CA ASN A 33 98.235 -1.034 -4.728 1.00 0.00 C ATOM 497 C ASN A 33 98.743 -0.162 -5.868 1.00 0.00 C ATOM 498 O ASN A 33 99.902 -0.268 -6.271 1.00 0.00 O ATOM 499 CB ASN A 33 98.963 -0.679 -3.431 1.00 0.00 C ATOM 500 CG ASN A 33 98.768 0.771 -3.037 1.00 0.00 C ATOM 501 OD1 ASN A 33 99.549 1.643 -3.418 1.00 0.00 O ATOM 502 ND2 ASN A 33 97.717 1.040 -2.280 1.00 0.00 N ATOM 0 H ASN A 33 99.224 -2.872 -4.607 1.00 0.00 H new ATOM 0 HA ASN A 33 97.170 -0.854 -4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 33 98.603 -1.322 -2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 33 100.028 -0.881 -3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 33 97.529 2.000 -1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 33 97.094 0.288 -1.986 1.00 0.00 H new ATOM 509 N HIS A 34 97.876 0.700 -6.378 1.00 0.00 N ATOM 510 CA HIS A 34 98.173 1.475 -7.581 1.00 0.00 C ATOM 511 C HIS A 34 99.275 2.507 -7.356 1.00 0.00 C ATOM 512 O HIS A 34 100.044 2.792 -8.271 1.00 0.00 O ATOM 513 CB HIS A 34 96.901 2.144 -8.111 1.00 0.00 C ATOM 514 CG HIS A 34 96.003 1.202 -8.861 1.00 0.00 C ATOM 515 ND1 HIS A 34 95.430 0.083 -8.291 1.00 0.00 N ATOM 516 CD2 HIS A 34 95.601 1.204 -10.158 1.00 0.00 C ATOM 517 CE1 HIS A 34 94.724 -0.561 -9.202 1.00 0.00 C ATOM 518 NE2 HIS A 34 94.808 0.097 -10.342 1.00 0.00 N ATOM 0 H HIS A 34 96.956 0.883 -5.978 1.00 0.00 H new ATOM 0 HA HIS A 34 98.547 0.777 -8.330 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.349 2.573 -7.275 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.179 2.969 -8.766 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.857 1.939 -10.906 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.170 -1.474 -9.041 1.00 0.00 H new ATOM 0 HE2 HIS A 34 94.358 -0.172 -11.217 1.00 0.00 H new ATOM 527 N SER A 35 99.371 3.054 -6.152 1.00 0.00 N ATOM 528 CA SER A 35 100.397 4.044 -5.857 1.00 0.00 C ATOM 529 C SER A 35 101.768 3.372 -5.747 1.00 0.00 C ATOM 530 O SER A 35 102.756 3.817 -6.350 1.00 0.00 O ATOM 531 CB SER A 35 100.046 4.777 -4.562 1.00 0.00 C ATOM 532 OG SER A 35 98.728 5.303 -4.626 1.00 0.00 O ATOM 0 H SER A 35 98.756 2.831 -5.369 1.00 0.00 H new ATOM 0 HA SER A 35 100.441 4.769 -6.669 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.130 4.094 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 35 100.758 5.585 -4.391 1.00 0.00 H new ATOM 0 HG SER A 35 98.520 5.767 -3.788 1.00 0.00 H new ATOM 538 N ALA A 36 101.814 2.284 -4.990 1.00 0.00 N ATOM 539 CA ALA A 36 103.033 1.507 -4.843 1.00 0.00 C ATOM 540 C ALA A 36 103.500 0.990 -6.197 1.00 0.00 C ATOM 541 O ALA A 36 104.662 1.158 -6.564 1.00 0.00 O ATOM 542 CB ALA A 36 102.815 0.354 -3.877 1.00 0.00 C ATOM 0 H ALA A 36 101.017 1.920 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 36 103.809 2.154 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 36 103.738 -0.218 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 36 102.525 0.746 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.025 -0.294 -4.257 1.00 0.00 H new ATOM 548 N LYS A 37 102.577 0.391 -6.945 1.00 0.00 N ATOM 549 CA LYS A 37 102.881 -0.142 -8.266 1.00 0.00 C ATOM 550 C LYS A 37 103.366 0.961 -9.200 1.00 0.00 C ATOM 551 O LYS A 37 104.278 0.746 -9.993 1.00 0.00 O ATOM 552 CB LYS A 37 101.654 -0.835 -8.863 1.00 0.00 C ATOM 553 CG LYS A 37 101.892 -1.388 -10.259 1.00 0.00 C ATOM 554 CD LYS A 37 100.694 -2.161 -10.772 1.00 0.00 C ATOM 555 CE LYS A 37 100.948 -2.694 -12.174 1.00 0.00 C ATOM 556 NZ LYS A 37 100.948 -1.615 -13.195 1.00 0.00 N ATOM 0 H LYS A 37 101.608 0.263 -6.655 1.00 0.00 H new ATOM 0 HA LYS A 37 103.679 -0.876 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.350 -1.649 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.827 -0.126 -8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 37 102.114 -0.568 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.766 -2.039 -10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 37 100.476 -2.990 -10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.816 -1.515 -10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 37 101.907 -3.212 -12.195 1.00 0.00 H new ATOM 0 HE3 LYS A 37 100.183 -3.429 -12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 100.405 -1.924 -14.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 100.512 -0.759 -12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 101.926 -1.405 -13.478 1.00 0.00 H new ATOM 570 N LEU A 38 102.762 2.138 -9.089 1.00 0.00 N ATOM 571 CA LEU A 38 103.153 3.283 -9.907 1.00 0.00 C ATOM 572 C LEU A 38 104.645 3.565 -9.750 1.00 0.00 C ATOM 573 O LEU A 38 105.347 3.829 -10.729 1.00 0.00 O ATOM 574 CB LEU A 38 102.344 4.522 -9.511 1.00 0.00 C ATOM 575 CG LEU A 38 102.609 5.776 -10.346 1.00 0.00 C ATOM 576 CD1 LEU A 38 102.195 5.557 -11.793 1.00 0.00 C ATOM 577 CD2 LEU A 38 101.875 6.969 -9.751 1.00 0.00 C ATOM 0 H LEU A 38 101.998 2.326 -8.440 1.00 0.00 H new ATOM 0 HA LEU A 38 102.947 3.046 -10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 38 101.284 4.279 -9.579 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.552 4.752 -8.466 1.00 0.00 H new ATOM 0 HG LEU A 38 103.679 5.983 -10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 38 102.392 6.461 -12.369 1.00 0.00 H new ATOM 0 HD12 LEU A 38 102.765 4.728 -12.213 1.00 0.00 H new ATOM 0 HD13 LEU A 38 101.131 5.324 -11.836 1.00 0.00 H new ATOM 0 HD21 LEU A 38 102.072 7.855 -10.354 1.00 0.00 H new ATOM 0 HD22 LEU A 38 100.804 6.768 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 38 102.223 7.139 -8.732 1.00 0.00 H new ATOM 589 N HIS A 39 105.127 3.491 -8.517 1.00 0.00 N ATOM 590 CA HIS A 39 106.545 3.719 -8.245 1.00 0.00 C ATOM 591 C HIS A 39 107.386 2.494 -8.596 1.00 0.00 C ATOM 592 O HIS A 39 108.569 2.616 -8.902 1.00 0.00 O ATOM 593 CB HIS A 39 106.766 4.098 -6.778 1.00 0.00 C ATOM 594 CG HIS A 39 106.100 5.381 -6.373 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.315 6.576 -7.022 1.00 0.00 N ATOM 596 CD2 HIS A 39 105.212 5.650 -5.384 1.00 0.00 C ATOM 597 CE1 HIS A 39 105.595 7.523 -6.451 1.00 0.00 C ATOM 598 NE2 HIS A 39 104.917 6.989 -5.456 1.00 0.00 N ATOM 0 H HIS A 39 104.565 3.277 -7.693 1.00 0.00 H new ATOM 0 HA HIS A 39 106.865 4.547 -8.877 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.395 3.292 -6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.837 4.182 -6.592 1.00 0.00 H new ATOM 0 HD2 HIS A 39 104.812 4.943 -4.673 1.00 0.00 H new ATOM 0 HE1 HIS A 39 105.566 8.561 -6.749 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.277 7.489 -4.839 1.00 0.00 H new ATOM 607 N MET A 40 106.775 1.319 -8.561 1.00 0.00 N ATOM 608 CA MET A 40 107.493 0.080 -8.845 1.00 0.00 C ATOM 609 C MET A 40 107.692 -0.120 -10.346 1.00 0.00 C ATOM 610 O MET A 40 108.651 -0.759 -10.767 1.00 0.00 O ATOM 611 CB MET A 40 106.761 -1.119 -8.240 1.00 0.00 C ATOM 612 CG MET A 40 106.802 -1.146 -6.720 1.00 0.00 C ATOM 613 SD MET A 40 105.942 -2.569 -6.024 1.00 0.00 S ATOM 614 CE MET A 40 106.898 -3.915 -6.720 1.00 0.00 C ATOM 0 H MET A 40 105.787 1.195 -8.340 1.00 0.00 H new ATOM 0 HA MET A 40 108.478 0.158 -8.385 1.00 0.00 H new ATOM 0 HB2 MET A 40 105.722 -1.104 -8.568 1.00 0.00 H new ATOM 0 HB3 MET A 40 107.204 -2.038 -8.625 1.00 0.00 H new ATOM 0 HG2 MET A 40 107.841 -1.157 -6.389 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.354 -0.231 -6.333 1.00 0.00 H new ATOM 0 HE1 MET A 40 107.030 -4.694 -5.969 1.00 0.00 H new ATOM 0 HE2 MET A 40 106.372 -4.327 -7.581 1.00 0.00 H new ATOM 0 HE3 MET A 40 107.874 -3.544 -7.034 1.00 0.00 H new ATOM 624 N VAL A 41 106.787 0.430 -11.149 1.00 0.00 N ATOM 625 CA VAL A 41 106.921 0.366 -12.604 1.00 0.00 C ATOM 626 C VAL A 41 108.032 1.307 -13.074 1.00 0.00 C ATOM 627 O VAL A 41 108.645 1.101 -14.123 1.00 0.00 O ATOM 628 CB VAL A 41 105.592 0.719 -13.317 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.751 0.695 -14.831 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.489 -0.239 -12.894 1.00 0.00 C ATOM 0 H VAL A 41 105.956 0.923 -10.821 1.00 0.00 H new ATOM 0 HA VAL A 41 107.179 -0.660 -12.867 1.00 0.00 H new ATOM 0 HB VAL A 41 105.317 1.731 -13.020 1.00 0.00 H new ATOM 0 HG11 VAL A 41 104.800 0.947 -15.301 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.507 1.422 -15.129 1.00 0.00 H new ATOM 0 HG13 VAL A 41 106.060 -0.301 -15.149 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.563 0.024 -13.405 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.772 -1.258 -13.157 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.341 -0.170 -11.816 1.00 0.00 H new ATOM 640 N ALA A 42 108.306 2.326 -12.271 1.00 0.00 N ATOM 641 CA ALA A 42 109.362 3.278 -12.581 1.00 0.00 C ATOM 642 C ALA A 42 110.729 2.705 -12.210 1.00 0.00 C ATOM 643 O ALA A 42 111.771 3.263 -12.566 1.00 0.00 O ATOM 644 CB ALA A 42 109.118 4.592 -11.858 1.00 0.00 C ATOM 0 H ALA A 42 107.811 2.514 -11.399 1.00 0.00 H new ATOM 0 HA ALA A 42 109.352 3.467 -13.654 1.00 0.00 H new ATOM 0 HB1 ALA A 42 109.916 5.294 -12.100 1.00 0.00 H new ATOM 0 HB2 ALA A 42 108.161 5.008 -12.173 1.00 0.00 H new ATOM 0 HB3 ALA A 42 109.102 4.418 -10.782 1.00 0.00 H new ATOM 650 N MET A 43 110.709 1.594 -11.483 1.00 0.00 N ATOM 651 CA MET A 43 111.933 0.895 -11.105 1.00 0.00 C ATOM 652 C MET A 43 112.522 0.138 -12.293 1.00 0.00 C ATOM 653 O MET A 43 111.836 -0.647 -12.952 1.00 0.00 O ATOM 654 CB MET A 43 111.666 -0.091 -9.965 1.00 0.00 C ATOM 655 CG MET A 43 111.216 0.560 -8.672 1.00 0.00 C ATOM 656 SD MET A 43 110.846 -0.651 -7.387 1.00 0.00 S ATOM 657 CE MET A 43 110.474 0.426 -6.010 1.00 0.00 C ATOM 0 H MET A 43 109.854 1.155 -11.142 1.00 0.00 H new ATOM 0 HA MET A 43 112.648 1.648 -10.772 1.00 0.00 H new ATOM 0 HB2 MET A 43 110.904 -0.801 -10.285 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.574 -0.663 -9.774 1.00 0.00 H new ATOM 0 HG2 MET A 43 111.995 1.235 -8.318 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.330 1.166 -8.862 1.00 0.00 H new ATOM 0 HE1 MET A 43 109.881 -0.117 -5.274 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.403 0.763 -5.551 1.00 0.00 H new ATOM 0 HE3 MET A 43 109.910 1.289 -6.365 1.00 0.00 H new ATOM 667 N ARG A 44 113.793 0.377 -12.560 1.00 0.00 N ATOM 668 CA ARG A 44 114.513 -0.345 -13.593 1.00 0.00 C ATOM 669 C ARG A 44 115.568 -1.237 -12.943 1.00 0.00 C ATOM 670 O ARG A 44 115.904 -1.059 -11.773 1.00 0.00 O ATOM 671 CB ARG A 44 115.177 0.639 -14.570 1.00 0.00 C ATOM 672 CG ARG A 44 115.893 -0.034 -15.733 1.00 0.00 C ATOM 673 CD ARG A 44 116.764 0.945 -16.501 1.00 0.00 C ATOM 674 NE ARG A 44 117.517 0.287 -17.571 1.00 0.00 N ATOM 675 CZ ARG A 44 118.768 0.609 -17.908 1.00 0.00 C ATOM 676 NH1 ARG A 44 119.433 1.526 -17.215 1.00 0.00 N ATOM 677 NH2 ARG A 44 119.370 -0.004 -18.918 1.00 0.00 N ATOM 0 H ARG A 44 114.353 1.074 -12.069 1.00 0.00 H new ATOM 0 HA ARG A 44 113.812 -0.963 -14.154 1.00 0.00 H new ATOM 0 HB2 ARG A 44 114.416 1.312 -14.965 1.00 0.00 H new ATOM 0 HB3 ARG A 44 115.892 1.253 -14.022 1.00 0.00 H new ATOM 0 HG2 ARG A 44 116.509 -0.851 -15.357 1.00 0.00 H new ATOM 0 HG3 ARG A 44 115.158 -0.473 -16.407 1.00 0.00 H new ATOM 0 HD2 ARG A 44 116.139 1.729 -16.927 1.00 0.00 H new ATOM 0 HD3 ARG A 44 117.458 1.429 -15.814 1.00 0.00 H new ATOM 0 HE ARG A 44 117.058 -0.462 -18.090 1.00 0.00 H new ATOM 0 HH11 ARG A 44 118.988 1.988 -16.422 1.00 0.00 H new ATOM 0 HH12 ARG A 44 120.389 1.769 -17.476 1.00 0.00 H new ATOM 0 HH21 ARG A 44 118.877 -0.726 -19.443 1.00 0.00 H new ATOM 0 HH22 ARG A 44 120.326 0.247 -19.170 1.00 0.00 H new ATOM 691 N ARG A 45 116.069 -2.203 -13.694 1.00 0.00 N ATOM 692 CA ARG A 45 117.152 -3.057 -13.229 1.00 0.00 C ATOM 693 C ARG A 45 118.398 -2.208 -12.965 1.00 0.00 C ATOM 694 O ARG A 45 119.016 -1.689 -13.896 1.00 0.00 O ATOM 695 CB ARG A 45 117.431 -4.122 -14.287 1.00 0.00 C ATOM 696 CG ARG A 45 118.404 -5.201 -13.860 1.00 0.00 C ATOM 697 CD ARG A 45 118.656 -6.179 -14.996 1.00 0.00 C ATOM 698 NE ARG A 45 117.503 -7.020 -15.298 1.00 0.00 N ATOM 699 CZ ARG A 45 117.562 -8.338 -15.489 1.00 0.00 C ATOM 700 NH1 ARG A 45 118.683 -9.004 -15.244 1.00 0.00 N ATOM 701 NH2 ARG A 45 116.489 -8.995 -15.909 1.00 0.00 N ATOM 0 H ARG A 45 115.741 -2.417 -14.636 1.00 0.00 H new ATOM 0 HA ARG A 45 116.872 -3.549 -12.298 1.00 0.00 H new ATOM 0 HB2 ARG A 45 116.488 -4.592 -14.566 1.00 0.00 H new ATOM 0 HB3 ARG A 45 117.821 -3.634 -15.180 1.00 0.00 H new ATOM 0 HG2 ARG A 45 119.345 -4.747 -13.549 1.00 0.00 H new ATOM 0 HG3 ARG A 45 118.007 -5.734 -12.996 1.00 0.00 H new ATOM 0 HD2 ARG A 45 118.936 -5.622 -15.890 1.00 0.00 H new ATOM 0 HD3 ARG A 45 119.503 -6.814 -14.738 1.00 0.00 H new ATOM 0 HE ARG A 45 116.591 -6.569 -15.368 1.00 0.00 H new ATOM 0 HH11 ARG A 45 119.508 -8.508 -14.907 1.00 0.00 H new ATOM 0 HH12 ARG A 45 118.720 -10.012 -15.393 1.00 0.00 H new ATOM 0 HH21 ARG A 45 115.620 -8.492 -16.086 1.00 0.00 H new ATOM 0 HH22 ARG A 45 116.533 -10.003 -16.055 1.00 0.00 H new ATOM 715 N GLY A 46 118.751 -2.058 -11.693 1.00 0.00 N ATOM 716 CA GLY A 46 119.831 -1.166 -11.323 1.00 0.00 C ATOM 717 C GLY A 46 119.374 -0.101 -10.345 1.00 0.00 C ATOM 718 O GLY A 46 120.195 0.543 -9.691 1.00 0.00 O ATOM 0 H GLY A 46 118.307 -2.540 -10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 46 120.642 -1.743 -10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 46 120.231 -0.690 -12.218 1.00 0.00 H new ATOM 722 N ASP A 47 118.059 0.090 -10.254 1.00 0.00 N ATOM 723 CA ASP A 47 117.481 1.018 -9.284 1.00 0.00 C ATOM 724 C ASP A 47 117.729 0.516 -7.872 1.00 0.00 C ATOM 725 O ASP A 47 117.779 -0.693 -7.637 1.00 0.00 O ATOM 726 CB ASP A 47 115.978 1.190 -9.518 1.00 0.00 C ATOM 727 CG ASP A 47 115.664 2.134 -10.660 1.00 0.00 C ATOM 728 OD1 ASP A 47 116.131 1.898 -11.790 1.00 0.00 O ATOM 729 OD2 ASP A 47 114.947 3.125 -10.435 1.00 0.00 O ATOM 0 H ASP A 47 117.374 -0.386 -10.841 1.00 0.00 H new ATOM 0 HA ASP A 47 117.962 1.988 -9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 47 115.534 0.216 -9.725 1.00 0.00 H new ATOM 0 HB3 ASP A 47 115.514 1.564 -8.606 1.00 0.00 H new ATOM 734 N ARG A 48 117.878 1.432 -6.930 1.00 0.00 N ATOM 735 CA ARG A 48 118.263 1.062 -5.576 1.00 0.00 C ATOM 736 C ARG A 48 117.312 1.659 -4.552 1.00 0.00 C ATOM 737 O ARG A 48 116.894 2.806 -4.673 1.00 0.00 O ATOM 738 CB ARG A 48 119.700 1.511 -5.317 1.00 0.00 C ATOM 739 CG ARG A 48 120.686 0.841 -6.255 1.00 0.00 C ATOM 740 CD ARG A 48 122.050 1.498 -6.233 1.00 0.00 C ATOM 741 NE ARG A 48 122.907 0.939 -7.272 1.00 0.00 N ATOM 742 CZ ARG A 48 123.718 1.660 -8.041 1.00 0.00 C ATOM 743 NH1 ARG A 48 123.837 2.969 -7.849 1.00 0.00 N ATOM 744 NH2 ARG A 48 124.401 1.073 -9.014 1.00 0.00 N ATOM 0 H ARG A 48 117.739 2.432 -7.075 1.00 0.00 H new ATOM 0 HA ARG A 48 118.205 -0.022 -5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 48 119.768 2.593 -5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 48 119.970 1.284 -4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 48 120.788 -0.209 -5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 48 120.291 0.867 -7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 48 121.944 2.573 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.513 1.355 -5.257 1.00 0.00 H new ATOM 0 HE ARG A 48 122.883 -0.070 -7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 48 123.305 3.426 -7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 48 124.461 3.517 -8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 48 124.304 0.070 -9.172 1.00 0.00 H new ATOM 0 HH22 ARG A 48 125.023 1.624 -9.605 1.00 0.00 H new ATOM 758 N ALA A 49 116.978 0.874 -3.542 1.00 0.00 N ATOM 759 CA ALA A 49 116.004 1.277 -2.549 1.00 0.00 C ATOM 760 C ALA A 49 116.530 1.059 -1.138 1.00 0.00 C ATOM 761 O ALA A 49 117.471 0.292 -0.925 1.00 0.00 O ATOM 762 CB ALA A 49 114.710 0.504 -2.751 1.00 0.00 C ATOM 0 H ALA A 49 117.373 -0.054 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 49 115.812 2.343 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 49 113.981 0.812 -2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.315 0.709 -3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 49 114.905 -0.564 -2.651 1.00 0.00 H new ATOM 768 N PHE A 50 115.910 1.731 -0.182 1.00 0.00 N ATOM 769 CA PHE A 50 116.248 1.563 1.221 1.00 0.00 C ATOM 770 C PHE A 50 115.416 0.449 1.829 1.00 0.00 C ATOM 771 O PHE A 50 114.194 0.425 1.668 1.00 0.00 O ATOM 772 CB PHE A 50 115.991 2.851 2.005 1.00 0.00 C ATOM 773 CG PHE A 50 117.000 3.944 1.794 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.353 3.705 1.973 1.00 0.00 C ATOM 775 CD2 PHE A 50 116.588 5.222 1.452 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.276 4.718 1.814 1.00 0.00 C ATOM 777 CE2 PHE A 50 117.509 6.240 1.287 1.00 0.00 C ATOM 778 CZ PHE A 50 118.855 5.986 1.470 1.00 0.00 C ATOM 0 H PHE A 50 115.163 2.404 -0.355 1.00 0.00 H new ATOM 0 HA PHE A 50 117.307 1.313 1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.006 3.231 1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.958 2.610 3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.689 2.714 2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 50 115.536 5.425 1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.327 4.519 1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 50 117.177 7.231 1.016 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.577 6.779 1.344 1.00 0.00 H new ATOM 788 N TYR A 51 116.072 -0.474 2.511 1.00 0.00 N ATOM 789 CA TYR A 51 115.376 -1.550 3.195 1.00 0.00 C ATOM 790 C TYR A 51 115.040 -1.115 4.617 1.00 0.00 C ATOM 791 O TYR A 51 115.901 -1.102 5.503 1.00 0.00 O ATOM 792 CB TYR A 51 116.219 -2.828 3.198 1.00 0.00 C ATOM 793 CG TYR A 51 115.496 -4.028 3.768 1.00 0.00 C ATOM 794 CD1 TYR A 51 114.574 -4.739 3.008 1.00 0.00 C ATOM 795 CD2 TYR A 51 115.736 -4.449 5.065 1.00 0.00 C ATOM 796 CE1 TYR A 51 113.913 -5.834 3.533 1.00 0.00 C ATOM 797 CE2 TYR A 51 115.082 -5.539 5.596 1.00 0.00 C ATOM 798 CZ TYR A 51 114.173 -6.229 4.829 1.00 0.00 C ATOM 799 OH TYR A 51 113.520 -7.313 5.367 1.00 0.00 O ATOM 0 H TYR A 51 117.087 -0.500 2.606 1.00 0.00 H new ATOM 0 HA TYR A 51 114.450 -1.769 2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.528 -3.052 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 51 117.127 -2.653 3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 51 114.371 -4.431 1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 51 116.450 -3.912 5.672 1.00 0.00 H new ATOM 0 HE1 TYR A 51 113.198 -6.377 2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 51 115.282 -5.850 6.611 1.00 0.00 H new ATOM 0 HH TYR A 51 113.823 -7.453 6.289 1.00 0.00 H new ATOM 809 N TYR A 52 113.788 -0.742 4.811 1.00 0.00 N ATOM 810 CA TYR A 52 113.323 -0.187 6.072 1.00 0.00 C ATOM 811 C TYR A 52 112.536 -1.227 6.863 1.00 0.00 C ATOM 812 O TYR A 52 111.605 -1.847 6.344 1.00 0.00 O ATOM 813 CB TYR A 52 112.459 1.042 5.764 1.00 0.00 C ATOM 814 CG TYR A 52 111.874 1.758 6.965 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.566 2.791 7.585 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.616 1.425 7.458 1.00 0.00 C ATOM 817 CE1 TYR A 52 112.027 3.467 8.663 1.00 0.00 C ATOM 818 CE2 TYR A 52 110.068 2.101 8.533 1.00 0.00 C ATOM 819 CZ TYR A 52 110.779 3.120 9.131 1.00 0.00 C ATOM 820 OH TYR A 52 110.236 3.800 10.196 1.00 0.00 O ATOM 0 H TYR A 52 113.062 -0.815 4.098 1.00 0.00 H new ATOM 0 HA TYR A 52 114.174 0.106 6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.062 1.753 5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.640 0.733 5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.542 3.071 7.218 1.00 0.00 H new ATOM 0 HD2 TYR A 52 110.058 0.625 6.993 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.582 4.264 9.136 1.00 0.00 H new ATOM 0 HE2 TYR A 52 109.089 1.832 8.902 1.00 0.00 H new ATOM 0 HH TYR A 52 109.351 3.433 10.401 1.00 0.00 H new ATOM 830 N HIS A 53 112.920 -1.423 8.118 1.00 0.00 N ATOM 831 CA HIS A 53 112.227 -2.363 8.987 1.00 0.00 C ATOM 832 C HIS A 53 111.008 -1.720 9.624 1.00 0.00 C ATOM 833 O HIS A 53 111.126 -0.807 10.437 1.00 0.00 O ATOM 834 CB HIS A 53 113.161 -2.914 10.073 1.00 0.00 C ATOM 835 CG HIS A 53 113.801 -4.214 9.690 1.00 0.00 C ATOM 836 ND1 HIS A 53 114.930 -4.717 10.304 1.00 0.00 N ATOM 837 CD2 HIS A 53 113.443 -5.132 8.759 1.00 0.00 C ATOM 838 CE1 HIS A 53 115.237 -5.888 9.769 1.00 0.00 C ATOM 839 NE2 HIS A 53 114.348 -6.159 8.831 1.00 0.00 N ATOM 0 H HIS A 53 113.707 -0.944 8.556 1.00 0.00 H new ATOM 0 HA HIS A 53 111.897 -3.195 8.366 1.00 0.00 H new ATOM 0 HB2 HIS A 53 113.939 -2.180 10.282 1.00 0.00 H new ATOM 0 HB3 HIS A 53 112.596 -3.051 10.995 1.00 0.00 H new ATOM 0 HD2 HIS A 53 112.601 -5.066 8.086 1.00 0.00 H new ATOM 0 HE1 HIS A 53 116.071 -6.514 10.051 1.00 0.00 H new ATOM 0 HE2 HIS A 53 114.337 -6.999 8.252 1.00 0.00 H new ATOM 848 N SER A 54 109.839 -2.198 9.233 1.00 0.00 N ATOM 849 CA SER A 54 108.591 -1.722 9.792 1.00 0.00 C ATOM 850 C SER A 54 108.268 -2.518 11.051 1.00 0.00 C ATOM 851 O SER A 54 108.820 -3.603 11.256 1.00 0.00 O ATOM 852 CB SER A 54 107.464 -1.861 8.760 1.00 0.00 C ATOM 853 OG SER A 54 106.257 -1.284 9.231 1.00 0.00 O ATOM 0 H SER A 54 109.731 -2.923 8.523 1.00 0.00 H new ATOM 0 HA SER A 54 108.686 -0.668 10.052 1.00 0.00 H new ATOM 0 HB2 SER A 54 107.760 -1.379 7.828 1.00 0.00 H new ATOM 0 HB3 SER A 54 107.302 -2.915 8.536 1.00 0.00 H new ATOM 0 HG SER A 54 105.558 -1.387 8.551 1.00 0.00 H new ATOM 859 N ASN A 55 107.385 -1.966 11.884 1.00 0.00 N ATOM 860 CA ASN A 55 106.989 -2.581 13.154 1.00 0.00 C ATOM 861 C ASN A 55 108.138 -2.521 14.158 1.00 0.00 C ATOM 862 O ASN A 55 108.079 -1.769 15.130 1.00 0.00 O ATOM 863 CB ASN A 55 106.525 -4.033 12.958 1.00 0.00 C ATOM 864 CG ASN A 55 105.812 -4.604 14.173 1.00 0.00 C ATOM 865 OD1 ASN A 55 106.060 -4.208 15.313 1.00 0.00 O ATOM 866 ND2 ASN A 55 104.917 -5.551 13.932 1.00 0.00 N ATOM 0 H ASN A 55 106.922 -1.077 11.697 1.00 0.00 H new ATOM 0 HA ASN A 55 106.146 -2.013 13.548 1.00 0.00 H new ATOM 0 HB2 ASN A 55 105.858 -4.081 12.098 1.00 0.00 H new ATOM 0 HB3 ASN A 55 107.389 -4.655 12.726 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.406 -5.978 14.704 1.00 0.00 H new ATOM 0 HD22 ASN A 55 104.739 -5.853 12.974 1.00 0.00 H new ATOM 873 N GLU A 56 109.190 -3.291 13.913 1.00 0.00 N ATOM 874 CA GLU A 56 110.338 -3.311 14.804 1.00 0.00 C ATOM 875 C GLU A 56 111.474 -2.475 14.240 1.00 0.00 C ATOM 876 O GLU A 56 111.768 -2.529 13.046 1.00 0.00 O ATOM 877 CB GLU A 56 110.832 -4.736 15.040 1.00 0.00 C ATOM 878 CG GLU A 56 109.825 -5.629 15.733 1.00 0.00 C ATOM 879 CD GLU A 56 110.478 -6.844 16.353 1.00 0.00 C ATOM 880 OE1 GLU A 56 110.718 -7.833 15.633 1.00 0.00 O ATOM 881 OE2 GLU A 56 110.773 -6.802 17.565 1.00 0.00 O ATOM 0 H GLU A 56 109.270 -3.909 13.105 1.00 0.00 H new ATOM 0 HA GLU A 56 110.015 -2.888 15.755 1.00 0.00 H new ATOM 0 HB2 GLU A 56 111.098 -5.181 14.081 1.00 0.00 H new ATOM 0 HB3 GLU A 56 111.743 -4.700 15.638 1.00 0.00 H new ATOM 0 HG2 GLU A 56 109.308 -5.061 16.506 1.00 0.00 H new ATOM 0 HG3 GLU A 56 109.070 -5.950 15.015 1.00 0.00 H new ATOM 888 N GLY A 57 112.097 -1.694 15.107 1.00 0.00 N ATOM 889 CA GLY A 57 113.241 -0.901 14.719 1.00 0.00 C ATOM 890 C GLY A 57 112.852 0.431 14.120 1.00 0.00 C ATOM 891 O GLY A 57 113.296 1.481 14.594 1.00 0.00 O ATOM 0 H GLY A 57 111.825 -1.595 16.085 1.00 0.00 H new ATOM 0 HA2 GLY A 57 113.873 -0.732 15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 57 113.837 -1.459 13.997 1.00 0.00 H new ATOM 895 N LYS A 58 112.000 0.385 13.094 1.00 0.00 N ATOM 896 CA LYS A 58 111.647 1.569 12.318 1.00 0.00 C ATOM 897 C LYS A 58 112.916 2.176 11.741 1.00 0.00 C ATOM 898 O LYS A 58 113.119 3.388 11.781 1.00 0.00 O ATOM 899 CB LYS A 58 110.904 2.614 13.167 1.00 0.00 C ATOM 900 CG LYS A 58 109.618 2.110 13.811 1.00 0.00 C ATOM 901 CD LYS A 58 108.695 3.274 14.139 1.00 0.00 C ATOM 902 CE LYS A 58 107.579 2.876 15.093 1.00 0.00 C ATOM 903 NZ LYS A 58 108.092 2.612 16.464 1.00 0.00 N ATOM 0 H LYS A 58 111.539 -0.470 12.781 1.00 0.00 H new ATOM 0 HA LYS A 58 110.973 1.265 11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 58 111.573 2.968 13.951 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.668 3.472 12.538 1.00 0.00 H new ATOM 0 HG2 LYS A 58 109.114 1.417 13.137 1.00 0.00 H new ATOM 0 HG3 LYS A 58 109.852 1.556 14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 58 109.277 4.082 14.582 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.261 3.661 13.217 1.00 0.00 H new ATOM 0 HE2 LYS A 58 106.833 3.670 15.131 1.00 0.00 H new ATOM 0 HE3 LYS A 58 107.078 1.985 14.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 107.294 2.561 17.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 108.609 1.710 16.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 108.732 3.381 16.749 1.00 0.00 H new ATOM 917 N GLU A 59 113.768 1.320 11.195 1.00 0.00 N ATOM 918 CA GLU A 59 115.092 1.736 10.771 1.00 0.00 C ATOM 919 C GLU A 59 115.446 1.189 9.396 1.00 0.00 C ATOM 920 O GLU A 59 115.015 0.098 9.012 1.00 0.00 O ATOM 921 CB GLU A 59 116.123 1.272 11.800 1.00 0.00 C ATOM 922 CG GLU A 59 116.062 -0.218 12.084 1.00 0.00 C ATOM 923 CD GLU A 59 116.931 -0.627 13.250 1.00 0.00 C ATOM 924 OE1 GLU A 59 116.642 -0.206 14.387 1.00 0.00 O ATOM 925 OE2 GLU A 59 117.893 -1.394 13.042 1.00 0.00 O ATOM 0 H GLU A 59 113.563 0.333 11.036 1.00 0.00 H new ATOM 0 HA GLU A 59 115.098 2.824 10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 59 117.121 1.526 11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.968 1.818 12.730 1.00 0.00 H new ATOM 0 HG2 GLU A 59 115.030 -0.502 12.289 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.373 -0.766 11.195 1.00 0.00 H new ATOM 932 N ILE A 60 116.219 1.966 8.656 1.00 0.00 N ATOM 933 CA ILE A 60 116.772 1.527 7.388 1.00 0.00 C ATOM 934 C ILE A 60 118.077 0.788 7.646 1.00 0.00 C ATOM 935 O ILE A 60 119.053 1.381 8.111 1.00 0.00 O ATOM 936 CB ILE A 60 117.031 2.716 6.438 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.733 3.490 6.186 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.626 2.225 5.125 1.00 0.00 C ATOM 939 CD1 ILE A 60 115.921 4.752 5.370 1.00 0.00 C ATOM 0 H ILE A 60 116.480 2.917 8.917 1.00 0.00 H new ATOM 0 HA ILE A 60 116.049 0.868 6.908 1.00 0.00 H new ATOM 0 HB ILE A 60 117.747 3.389 6.910 1.00 0.00 H new ATOM 0 HG12 ILE A 60 115.027 2.838 5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.285 3.752 7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.803 3.075 4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.569 1.715 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 60 116.932 1.533 4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 60 114.958 5.244 5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.602 5.425 5.892 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.339 4.497 4.396 1.00 0.00 H new ATOM 951 N VAL A 61 118.093 -0.503 7.367 1.00 0.00 N ATOM 952 CA VAL A 61 119.237 -1.331 7.735 1.00 0.00 C ATOM 953 C VAL A 61 120.137 -1.657 6.545 1.00 0.00 C ATOM 954 O VAL A 61 121.330 -1.910 6.718 1.00 0.00 O ATOM 955 CB VAL A 61 118.792 -2.645 8.414 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.049 -2.352 9.704 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.927 -3.477 7.480 1.00 0.00 C ATOM 0 H VAL A 61 117.339 -1.000 6.893 1.00 0.00 H new ATOM 0 HA VAL A 61 119.815 -0.737 8.443 1.00 0.00 H new ATOM 0 HB VAL A 61 119.686 -3.222 8.650 1.00 0.00 H new ATOM 0 HG11 VAL A 61 117.743 -3.289 10.169 1.00 0.00 H new ATOM 0 HG12 VAL A 61 118.703 -1.806 10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.167 -1.750 9.487 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.628 -4.396 7.984 1.00 0.00 H new ATOM 0 HG22 VAL A 61 117.039 -2.909 7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.494 -3.723 6.582 1.00 0.00 H new ATOM 967 N GLY A 62 119.584 -1.646 5.341 1.00 0.00 N ATOM 968 CA GLY A 62 120.371 -2.032 4.190 1.00 0.00 C ATOM 969 C GLY A 62 119.874 -1.438 2.892 1.00 0.00 C ATOM 970 O GLY A 62 118.844 -0.763 2.857 1.00 0.00 O ATOM 0 H GLY A 62 118.619 -1.381 5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.405 -1.726 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.370 -3.119 4.107 1.00 0.00 H new ATOM 974 N ILE A 63 120.616 -1.703 1.828 1.00 0.00 N ATOM 975 CA ILE A 63 120.294 -1.207 0.503 1.00 0.00 C ATOM 976 C ILE A 63 119.963 -2.365 -0.433 1.00 0.00 C ATOM 977 O ILE A 63 120.740 -3.319 -0.564 1.00 0.00 O ATOM 978 CB ILE A 63 121.476 -0.398 -0.077 1.00 0.00 C ATOM 979 CG1 ILE A 63 121.777 0.810 0.817 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.179 0.044 -1.505 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.059 1.530 0.457 1.00 0.00 C ATOM 0 H ILE A 63 121.462 -2.271 1.862 1.00 0.00 H new ATOM 0 HA ILE A 63 119.425 -0.555 0.589 1.00 0.00 H new ATOM 0 HB ILE A 63 122.358 -1.039 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 63 120.946 1.513 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 63 121.836 0.478 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.024 0.612 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.013 -0.833 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.287 0.670 -1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.205 2.373 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 63 123.900 0.843 0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 63 122.996 1.894 -0.569 1.00 0.00 H new ATOM 993 N ALA A 64 118.809 -2.281 -1.076 1.00 0.00 N ATOM 994 CA ALA A 64 118.376 -3.305 -2.011 1.00 0.00 C ATOM 995 C ALA A 64 118.443 -2.775 -3.437 1.00 0.00 C ATOM 996 O ALA A 64 118.206 -1.594 -3.672 1.00 0.00 O ATOM 997 CB ALA A 64 116.962 -3.761 -1.676 1.00 0.00 C ATOM 0 H ALA A 64 118.152 -1.508 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 64 119.043 -4.163 -1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.650 -4.528 -2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 64 116.941 -4.170 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.282 -2.912 -1.738 1.00 0.00 H new ATOM 1003 N GLU A 65 118.781 -3.634 -4.384 1.00 0.00 N ATOM 1004 CA GLU A 65 118.853 -3.219 -5.779 1.00 0.00 C ATOM 1005 C GLU A 65 117.923 -4.069 -6.635 1.00 0.00 C ATOM 1006 O GLU A 65 117.773 -5.271 -6.400 1.00 0.00 O ATOM 1007 CB GLU A 65 120.290 -3.313 -6.305 1.00 0.00 C ATOM 1008 CG GLU A 65 120.520 -2.551 -7.601 1.00 0.00 C ATOM 1009 CD GLU A 65 121.973 -2.546 -8.029 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.748 -1.713 -7.519 1.00 0.00 O ATOM 1011 OE2 GLU A 65 122.347 -3.367 -8.890 1.00 0.00 O ATOM 0 H GLU A 65 119.008 -4.614 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 65 118.534 -2.179 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 65 120.971 -2.932 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.542 -4.362 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 65 119.915 -2.996 -8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.179 -1.523 -7.478 1.00 0.00 H new ATOM 1018 N ILE A 66 117.292 -3.428 -7.608 1.00 0.00 N ATOM 1019 CA ILE A 66 116.395 -4.107 -8.530 1.00 0.00 C ATOM 1020 C ILE A 66 117.201 -4.885 -9.565 1.00 0.00 C ATOM 1021 O ILE A 66 117.862 -4.292 -10.413 1.00 0.00 O ATOM 1022 CB ILE A 66 115.483 -3.103 -9.272 1.00 0.00 C ATOM 1023 CG1 ILE A 66 114.851 -2.100 -8.297 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.401 -3.838 -10.052 1.00 0.00 C ATOM 1025 CD1 ILE A 66 113.927 -2.722 -7.271 1.00 0.00 C ATOM 0 H ILE A 66 117.387 -2.427 -7.780 1.00 0.00 H new ATOM 0 HA ILE A 66 115.774 -4.784 -7.944 1.00 0.00 H new ATOM 0 HB ILE A 66 116.103 -2.546 -9.974 1.00 0.00 H new ATOM 0 HG12 ILE A 66 115.647 -1.568 -7.776 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.293 -1.359 -8.869 1.00 0.00 H new ATOM 0 HG21 ILE A 66 113.769 -3.115 -10.567 1.00 0.00 H new ATOM 0 HG22 ILE A 66 114.865 -4.500 -10.783 1.00 0.00 H new ATOM 0 HG23 ILE A 66 113.793 -4.426 -9.365 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.525 -1.943 -6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.108 -3.230 -7.780 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.483 -3.442 -6.670 1.00 0.00 H new ATOM 1037 N ILE A 67 117.158 -6.206 -9.496 1.00 0.00 N ATOM 1038 CA ILE A 67 117.914 -7.031 -10.434 1.00 0.00 C ATOM 1039 C ILE A 67 117.030 -7.559 -11.559 1.00 0.00 C ATOM 1040 O ILE A 67 117.421 -8.456 -12.303 1.00 0.00 O ATOM 1041 CB ILE A 67 118.626 -8.205 -9.732 1.00 0.00 C ATOM 1042 CG1 ILE A 67 117.656 -8.976 -8.836 1.00 0.00 C ATOM 1043 CG2 ILE A 67 119.807 -7.690 -8.925 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.265 -10.208 -8.203 1.00 0.00 C ATOM 0 H ILE A 67 116.615 -6.729 -8.809 1.00 0.00 H new ATOM 0 HA ILE A 67 118.675 -6.381 -10.865 1.00 0.00 H new ATOM 0 HB ILE A 67 118.994 -8.892 -10.494 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.297 -8.313 -8.049 1.00 0.00 H new ATOM 0 HG13 ILE A 67 116.788 -9.272 -9.425 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.304 -8.526 -8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.511 -7.190 -9.590 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.454 -6.984 -8.173 1.00 0.00 H new ATOM 0 HD11 ILE A 67 117.519 -10.704 -7.582 1.00 0.00 H new ATOM 0 HD12 ILE A 67 118.599 -10.891 -8.984 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.116 -9.918 -7.587 1.00 0.00 H new ATOM 1056 N ARG A 68 115.850 -6.974 -11.691 1.00 0.00 N ATOM 1057 CA ARG A 68 114.949 -7.273 -12.795 1.00 0.00 C ATOM 1058 C ARG A 68 113.872 -6.202 -12.856 1.00 0.00 C ATOM 1059 O ARG A 68 113.117 -6.031 -11.898 1.00 0.00 O ATOM 1060 CB ARG A 68 114.291 -8.650 -12.645 1.00 0.00 C ATOM 1061 CG ARG A 68 113.798 -9.218 -13.971 1.00 0.00 C ATOM 1062 CD ARG A 68 112.759 -10.314 -13.789 1.00 0.00 C ATOM 1063 NE ARG A 68 113.158 -11.318 -12.807 1.00 0.00 N ATOM 1064 CZ ARG A 68 113.072 -12.633 -12.994 1.00 0.00 C ATOM 1065 NH1 ARG A 68 112.685 -13.130 -14.162 1.00 0.00 N ATOM 1066 NH2 ARG A 68 113.387 -13.451 -12.004 1.00 0.00 N ATOM 0 H ARG A 68 115.489 -6.279 -11.037 1.00 0.00 H new ATOM 0 HA ARG A 68 115.534 -7.286 -13.715 1.00 0.00 H new ATOM 0 HB2 ARG A 68 115.006 -9.343 -12.202 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.452 -8.573 -11.954 1.00 0.00 H new ATOM 0 HG2 ARG A 68 113.371 -8.414 -14.570 1.00 0.00 H new ATOM 0 HG3 ARG A 68 114.646 -9.615 -14.529 1.00 0.00 H new ATOM 0 HD2 ARG A 68 111.815 -9.865 -13.479 1.00 0.00 H new ATOM 0 HD3 ARG A 68 112.581 -10.801 -14.748 1.00 0.00 H new ATOM 0 HE ARG A 68 113.528 -10.989 -11.916 1.00 0.00 H new ATOM 0 HH11 ARG A 68 112.449 -12.502 -14.930 1.00 0.00 H new ATOM 0 HH12 ARG A 68 112.624 -14.140 -14.291 1.00 0.00 H new ATOM 0 HH21 ARG A 68 113.692 -13.073 -11.107 1.00 0.00 H new ATOM 0 HH22 ARG A 68 113.324 -14.460 -12.137 1.00 0.00 H new ATOM 1080 N GLU A 69 113.819 -5.470 -13.962 1.00 0.00 N ATOM 1081 CA GLU A 69 112.837 -4.404 -14.132 1.00 0.00 C ATOM 1082 C GLU A 69 111.411 -4.953 -14.058 1.00 0.00 C ATOM 1083 O GLU A 69 111.183 -6.136 -14.318 1.00 0.00 O ATOM 1084 CB GLU A 69 113.059 -3.637 -15.448 1.00 0.00 C ATOM 1085 CG GLU A 69 113.545 -4.489 -16.615 1.00 0.00 C ATOM 1086 CD GLU A 69 115.030 -4.724 -16.599 1.00 0.00 C ATOM 1087 OE1 GLU A 69 115.780 -3.880 -17.127 1.00 0.00 O ATOM 1088 OE2 GLU A 69 115.452 -5.763 -16.065 1.00 0.00 O ATOM 0 H GLU A 69 114.446 -5.595 -14.757 1.00 0.00 H new ATOM 0 HA GLU A 69 112.974 -3.701 -13.311 1.00 0.00 H new ATOM 0 HB2 GLU A 69 112.123 -3.156 -15.733 1.00 0.00 H new ATOM 0 HB3 GLU A 69 113.784 -2.843 -15.270 1.00 0.00 H new ATOM 0 HG2 GLU A 69 113.031 -5.450 -16.593 1.00 0.00 H new ATOM 0 HG3 GLU A 69 113.271 -4.002 -17.551 1.00 0.00 H new ATOM 1095 N ALA A 70 110.473 -4.077 -13.698 1.00 0.00 N ATOM 1096 CA ALA A 70 109.086 -4.456 -13.427 1.00 0.00 C ATOM 1097 C ALA A 70 108.488 -5.346 -14.513 1.00 0.00 C ATOM 1098 O ALA A 70 108.276 -4.913 -15.647 1.00 0.00 O ATOM 1099 CB ALA A 70 108.235 -3.207 -13.250 1.00 0.00 C ATOM 0 H ALA A 70 110.655 -3.080 -13.586 1.00 0.00 H new ATOM 0 HA ALA A 70 109.090 -5.041 -12.507 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.203 -3.495 -13.048 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.618 -2.621 -12.414 1.00 0.00 H new ATOM 0 HB3 ALA A 70 108.273 -2.609 -14.160 1.00 0.00 H new ATOM 1105 N TYR A 71 108.224 -6.592 -14.149 1.00 0.00 N ATOM 1106 CA TYR A 71 107.570 -7.534 -15.043 1.00 0.00 C ATOM 1107 C TYR A 71 106.247 -7.976 -14.427 1.00 0.00 C ATOM 1108 O TYR A 71 106.102 -7.962 -13.203 1.00 0.00 O ATOM 1109 CB TYR A 71 108.474 -8.747 -15.321 1.00 0.00 C ATOM 1110 CG TYR A 71 108.711 -9.656 -14.128 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.572 -9.287 -13.100 1.00 0.00 C ATOM 1112 CD2 TYR A 71 108.082 -10.895 -14.043 1.00 0.00 C ATOM 1113 CE1 TYR A 71 109.799 -10.126 -12.023 1.00 0.00 C ATOM 1114 CE2 TYR A 71 108.301 -11.735 -12.969 1.00 0.00 C ATOM 1115 CZ TYR A 71 109.162 -11.348 -11.963 1.00 0.00 C ATOM 1116 OH TYR A 71 109.382 -12.186 -10.891 1.00 0.00 O ATOM 0 H TYR A 71 108.455 -6.976 -13.233 1.00 0.00 H new ATOM 0 HA TYR A 71 107.377 -7.044 -15.997 1.00 0.00 H new ATOM 0 HB2 TYR A 71 108.031 -9.335 -16.125 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.438 -8.388 -15.683 1.00 0.00 H new ATOM 0 HD1 TYR A 71 110.071 -8.330 -13.143 1.00 0.00 H new ATOM 0 HD2 TYR A 71 107.411 -11.205 -14.831 1.00 0.00 H new ATOM 0 HE1 TYR A 71 110.472 -9.825 -11.233 1.00 0.00 H new ATOM 0 HE2 TYR A 71 107.800 -12.691 -12.917 1.00 0.00 H new ATOM 0 HH TYR A 71 108.856 -13.005 -11.003 1.00 0.00 H new ATOM 1126 N PRO A 72 105.260 -8.339 -15.265 1.00 0.00 N ATOM 1127 CA PRO A 72 103.937 -8.773 -14.800 1.00 0.00 C ATOM 1128 C PRO A 72 104.018 -9.836 -13.710 1.00 0.00 C ATOM 1129 O PRO A 72 104.759 -10.813 -13.833 1.00 0.00 O ATOM 1130 CB PRO A 72 103.288 -9.348 -16.060 1.00 0.00 C ATOM 1131 CG PRO A 72 103.941 -8.617 -17.181 1.00 0.00 C ATOM 1132 CD PRO A 72 105.352 -8.343 -16.736 1.00 0.00 C ATOM 0 HA PRO A 72 103.378 -7.952 -14.351 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.453 -10.423 -16.137 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.209 -9.191 -16.058 1.00 0.00 H new ATOM 0 HG2 PRO A 72 103.929 -9.213 -18.094 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.414 -7.688 -17.400 1.00 0.00 H new ATOM 0 HD2 PRO A 72 106.040 -9.110 -17.092 1.00 0.00 H new ATOM 0 HD3 PRO A 72 105.714 -7.388 -17.117 1.00 0.00 H new ATOM 1140 N ASP A 73 103.254 -9.630 -12.646 1.00 0.00 N ATOM 1141 CA ASP A 73 103.247 -10.545 -11.514 1.00 0.00 C ATOM 1142 C ASP A 73 102.726 -11.909 -11.955 1.00 0.00 C ATOM 1143 O ASP A 73 101.644 -12.006 -12.534 1.00 0.00 O ATOM 1144 CB ASP A 73 102.371 -9.991 -10.384 1.00 0.00 C ATOM 1145 CG ASP A 73 102.558 -10.732 -9.071 1.00 0.00 C ATOM 1146 OD1 ASP A 73 102.385 -11.969 -9.045 1.00 0.00 O ATOM 1147 OD2 ASP A 73 102.880 -10.080 -8.060 1.00 0.00 O ATOM 0 H ASP A 73 102.627 -8.832 -12.544 1.00 0.00 H new ATOM 0 HA ASP A 73 104.267 -10.652 -11.144 1.00 0.00 H new ATOM 0 HB2 ASP A 73 102.603 -8.936 -10.236 1.00 0.00 H new ATOM 0 HB3 ASP A 73 101.324 -10.049 -10.682 1.00 0.00 H new ATOM 1152 N PRO A 74 103.497 -12.974 -11.690 1.00 0.00 N ATOM 1153 CA PRO A 74 103.139 -14.343 -12.086 1.00 0.00 C ATOM 1154 C PRO A 74 101.835 -14.823 -11.454 1.00 0.00 C ATOM 1155 O PRO A 74 101.254 -15.816 -11.890 1.00 0.00 O ATOM 1156 CB PRO A 74 104.321 -15.182 -11.584 1.00 0.00 C ATOM 1157 CG PRO A 74 104.989 -14.341 -10.551 1.00 0.00 C ATOM 1158 CD PRO A 74 104.787 -12.924 -10.989 1.00 0.00 C ATOM 0 HA PRO A 74 102.969 -14.418 -13.160 1.00 0.00 H new ATOM 0 HB2 PRO A 74 103.981 -16.128 -11.162 1.00 0.00 H new ATOM 0 HB3 PRO A 74 105.005 -15.424 -12.397 1.00 0.00 H new ATOM 0 HG2 PRO A 74 104.554 -14.512 -9.566 1.00 0.00 H new ATOM 0 HG3 PRO A 74 106.050 -14.581 -10.477 1.00 0.00 H new ATOM 0 HD2 PRO A 74 104.759 -12.240 -10.141 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.590 -12.586 -11.645 1.00 0.00 H new ATOM 1242 N PHE A 81 99.153 -6.445 -12.943 1.00 0.00 N ATOM 1243 CA PHE A 81 100.014 -6.182 -11.802 1.00 0.00 C ATOM 1244 C PHE A 81 101.443 -6.581 -12.143 1.00 0.00 C ATOM 1245 O PHE A 81 101.661 -7.430 -13.005 1.00 0.00 O ATOM 1246 CB PHE A 81 99.517 -6.946 -10.573 1.00 0.00 C ATOM 1247 CG PHE A 81 98.078 -6.666 -10.242 1.00 0.00 C ATOM 1248 CD1 PHE A 81 97.683 -5.409 -9.817 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.120 -7.660 -10.365 1.00 0.00 C ATOM 1250 CE1 PHE A 81 96.358 -5.147 -9.521 1.00 0.00 C ATOM 1251 CE2 PHE A 81 95.795 -7.405 -10.068 1.00 0.00 C ATOM 1252 CZ PHE A 81 95.413 -6.147 -9.647 1.00 0.00 C ATOM 0 HA PHE A 81 99.990 -5.117 -11.569 1.00 0.00 H new ATOM 0 HB2 PHE A 81 99.642 -8.015 -10.743 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.137 -6.685 -9.716 1.00 0.00 H new ATOM 0 HD1 PHE A 81 98.418 -4.624 -9.716 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.413 -8.645 -10.697 1.00 0.00 H new ATOM 0 HE1 PHE A 81 96.062 -4.162 -9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.059 -8.189 -10.165 1.00 0.00 H new ATOM 0 HZ PHE A 81 94.377 -5.945 -9.417 1.00 0.00 H new ATOM 1262 N VAL A 82 102.414 -5.966 -11.479 1.00 0.00 N ATOM 1263 CA VAL A 82 103.818 -6.228 -11.772 1.00 0.00 C ATOM 1264 C VAL A 82 104.596 -6.498 -10.494 1.00 0.00 C ATOM 1265 O VAL A 82 104.106 -6.242 -9.398 1.00 0.00 O ATOM 1266 CB VAL A 82 104.490 -5.058 -12.529 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.807 -4.805 -13.864 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.502 -3.795 -11.680 1.00 0.00 C ATOM 0 H VAL A 82 102.256 -5.285 -10.737 1.00 0.00 H new ATOM 0 HA VAL A 82 103.838 -7.109 -12.414 1.00 0.00 H new ATOM 0 HB VAL A 82 105.523 -5.341 -12.729 1.00 0.00 H new ATOM 0 HG11 VAL A 82 104.300 -3.977 -14.374 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.871 -5.701 -14.481 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.760 -4.555 -13.695 1.00 0.00 H new ATOM 0 HG21 VAL A 82 104.980 -2.988 -12.235 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.478 -3.511 -11.436 1.00 0.00 H new ATOM 0 HG23 VAL A 82 105.056 -3.980 -10.760 1.00 0.00 H new ATOM 1278 N CYS A 83 105.805 -7.006 -10.650 1.00 0.00 N ATOM 1279 CA CYS A 83 106.670 -7.302 -9.523 1.00 0.00 C ATOM 1280 C CYS A 83 108.128 -7.098 -9.916 1.00 0.00 C ATOM 1281 O CYS A 83 108.455 -7.066 -11.105 1.00 0.00 O ATOM 1282 CB CYS A 83 106.435 -8.737 -9.055 1.00 0.00 C ATOM 1283 SG CYS A 83 106.521 -9.965 -10.377 1.00 0.00 S ATOM 0 H CYS A 83 106.214 -7.224 -11.559 1.00 0.00 H new ATOM 0 HA CYS A 83 106.437 -6.624 -8.702 1.00 0.00 H new ATOM 0 HB2 CYS A 83 107.174 -8.986 -8.294 1.00 0.00 H new ATOM 0 HB3 CYS A 83 105.456 -8.798 -8.580 1.00 0.00 H new ATOM 0 HG CYS A 83 107.758 -10.118 -10.748 1.00 0.00 H new ATOM 1289 N VAL A 84 108.996 -6.943 -8.923 1.00 0.00 N ATOM 1290 CA VAL A 84 110.420 -6.742 -9.173 1.00 0.00 C ATOM 1291 C VAL A 84 111.256 -7.622 -8.250 1.00 0.00 C ATOM 1292 O VAL A 84 110.785 -8.051 -7.196 1.00 0.00 O ATOM 1293 CB VAL A 84 110.847 -5.266 -8.978 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.184 -4.362 -10.007 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.527 -4.789 -7.568 1.00 0.00 C ATOM 0 H VAL A 84 108.739 -6.953 -7.936 1.00 0.00 H new ATOM 0 HA VAL A 84 110.595 -7.017 -10.213 1.00 0.00 H new ATOM 0 HB VAL A 84 111.926 -5.213 -9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.502 -3.332 -9.845 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.473 -4.678 -11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.101 -4.427 -9.904 1.00 0.00 H new ATOM 0 HG21 VAL A 84 110.836 -3.750 -7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.454 -4.869 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.061 -5.406 -6.845 1.00 0.00 H new ATOM 1305 N ASP A 85 112.491 -7.890 -8.654 1.00 0.00 N ATOM 1306 CA ASP A 85 113.408 -8.678 -7.839 1.00 0.00 C ATOM 1307 C ASP A 85 114.337 -7.769 -7.054 1.00 0.00 C ATOM 1308 O ASP A 85 115.085 -6.981 -7.638 1.00 0.00 O ATOM 1309 CB ASP A 85 114.254 -9.622 -8.696 1.00 0.00 C ATOM 1310 CG ASP A 85 113.532 -10.890 -9.089 1.00 0.00 C ATOM 1311 OD1 ASP A 85 112.749 -11.414 -8.277 1.00 0.00 O ATOM 1312 OD2 ASP A 85 113.772 -11.380 -10.211 1.00 0.00 O ATOM 0 H ASP A 85 112.881 -7.573 -9.542 1.00 0.00 H new ATOM 0 HA ASP A 85 112.800 -9.271 -7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 85 114.568 -9.097 -9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 85 115.159 -9.884 -8.148 1.00 0.00 H new ATOM 1317 N ILE A 86 114.290 -7.876 -5.737 1.00 0.00 N ATOM 1318 CA ILE A 86 115.161 -7.087 -4.882 1.00 0.00 C ATOM 1319 C ILE A 86 116.200 -7.973 -4.202 1.00 0.00 C ATOM 1320 O ILE A 86 115.885 -9.055 -3.705 1.00 0.00 O ATOM 1321 CB ILE A 86 114.367 -6.302 -3.813 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.480 -7.244 -2.988 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.526 -5.217 -4.469 1.00 0.00 C ATOM 1324 CD1 ILE A 86 112.732 -6.553 -1.867 1.00 0.00 C ATOM 0 H ILE A 86 113.658 -8.501 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 86 115.666 -6.366 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 86 115.080 -5.830 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 86 112.760 -7.724 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.100 -8.035 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 86 112.973 -4.673 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 86 114.177 -4.527 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.825 -5.673 -5.168 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.127 -7.283 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 86 113.445 -6.097 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.085 -5.781 -2.283 1.00 0.00 H new ATOM 1336 N LYS A 87 117.445 -7.518 -4.205 1.00 0.00 N ATOM 1337 CA LYS A 87 118.532 -8.250 -3.568 1.00 0.00 C ATOM 1338 C LYS A 87 119.157 -7.416 -2.458 1.00 0.00 C ATOM 1339 O LYS A 87 119.156 -6.186 -2.523 1.00 0.00 O ATOM 1340 CB LYS A 87 119.618 -8.607 -4.588 1.00 0.00 C ATOM 1341 CG LYS A 87 120.245 -7.389 -5.248 1.00 0.00 C ATOM 1342 CD LYS A 87 121.695 -7.636 -5.632 1.00 0.00 C ATOM 1343 CE LYS A 87 122.302 -6.409 -6.292 1.00 0.00 C ATOM 1344 NZ LYS A 87 123.774 -6.527 -6.472 1.00 0.00 N ATOM 0 H LYS A 87 117.729 -6.642 -4.643 1.00 0.00 H new ATOM 0 HA LYS A 87 118.114 -9.165 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.398 -9.185 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.188 -9.248 -5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 87 119.674 -7.124 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.189 -6.539 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.270 -7.897 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 87 121.755 -8.486 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 87 121.832 -6.253 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 87 122.083 -5.529 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 124.259 -6.074 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 124.039 -7.532 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 124.054 -6.058 -7.357 1.00 0.00 H new ATOM 1358 N ALA A 88 119.691 -8.084 -1.447 1.00 0.00 N ATOM 1359 CA ALA A 88 120.448 -7.404 -0.407 1.00 0.00 C ATOM 1360 C ALA A 88 121.887 -7.239 -0.863 1.00 0.00 C ATOM 1361 O ALA A 88 122.664 -8.193 -0.849 1.00 0.00 O ATOM 1362 CB ALA A 88 120.394 -8.180 0.901 1.00 0.00 C ATOM 0 H ALA A 88 119.615 -9.094 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 88 120.006 -6.423 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 88 120.967 -7.651 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.358 -8.273 1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 88 120.818 -9.173 0.753 1.00 0.00 H new ATOM 1368 N ASP A 89 122.230 -6.037 -1.298 1.00 0.00 N ATOM 1369 CA ASP A 89 123.558 -5.789 -1.841 1.00 0.00 C ATOM 1370 C ASP A 89 124.535 -5.416 -0.737 1.00 0.00 C ATOM 1371 O ASP A 89 125.596 -6.028 -0.598 1.00 0.00 O ATOM 1372 CB ASP A 89 123.516 -4.681 -2.893 1.00 0.00 C ATOM 1373 CG ASP A 89 124.858 -4.489 -3.569 1.00 0.00 C ATOM 1374 OD1 ASP A 89 125.111 -5.158 -4.592 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.669 -3.675 -3.080 1.00 0.00 O ATOM 0 H ASP A 89 121.614 -5.224 -1.287 1.00 0.00 H new ATOM 0 HA ASP A 89 123.900 -6.710 -2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.763 -4.922 -3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 89 123.210 -3.746 -2.423 1.00 0.00 H new ATOM 1380 N LYS A 90 124.178 -4.412 0.046 1.00 0.00 N ATOM 1381 CA LYS A 90 125.027 -3.958 1.133 1.00 0.00 C ATOM 1382 C LYS A 90 124.182 -3.352 2.246 1.00 0.00 C ATOM 1383 O LYS A 90 123.160 -2.719 1.982 1.00 0.00 O ATOM 1384 CB LYS A 90 126.053 -2.932 0.627 1.00 0.00 C ATOM 1385 CG LYS A 90 125.434 -1.638 0.115 1.00 0.00 C ATOM 1386 CD LYS A 90 126.495 -0.612 -0.262 1.00 0.00 C ATOM 1387 CE LYS A 90 126.939 -0.734 -1.716 1.00 0.00 C ATOM 1388 NZ LYS A 90 127.527 -2.062 -2.031 1.00 0.00 N ATOM 0 H LYS A 90 123.304 -3.895 -0.052 1.00 0.00 H new ATOM 0 HA LYS A 90 125.566 -4.818 1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.745 -2.697 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 90 126.639 -3.384 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 90 124.811 -1.852 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 90 124.781 -1.220 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 90 126.104 0.390 -0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 90 127.360 -0.734 0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 90 126.084 -0.557 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 90 127.672 0.043 -1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 128.078 -1.998 -2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 128.150 -2.359 -1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 126.765 -2.760 -2.150 1.00 0.00 H new ATOM 1402 N PRO A 91 124.574 -3.571 3.505 1.00 0.00 N ATOM 1403 CA PRO A 91 123.912 -2.978 4.654 1.00 0.00 C ATOM 1404 C PRO A 91 124.550 -1.654 5.065 1.00 0.00 C ATOM 1405 O PRO A 91 125.613 -1.282 4.560 1.00 0.00 O ATOM 1406 CB PRO A 91 124.120 -4.034 5.738 1.00 0.00 C ATOM 1407 CG PRO A 91 125.388 -4.748 5.370 1.00 0.00 C ATOM 1408 CD PRO A 91 125.686 -4.436 3.919 1.00 0.00 C ATOM 0 HA PRO A 91 122.867 -2.738 4.459 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.201 -3.574 6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.278 -4.726 5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 91 126.210 -4.422 6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 91 125.278 -5.823 5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.646 -3.932 3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.731 -5.343 3.317 1.00 0.00 H new ATOM 1416 N LEU A 92 123.899 -0.946 5.972 1.00 0.00 N ATOM 1417 CA LEU A 92 124.441 0.300 6.488 1.00 0.00 C ATOM 1418 C LEU A 92 125.303 0.029 7.714 1.00 0.00 C ATOM 1419 O LEU A 92 125.071 -0.936 8.445 1.00 0.00 O ATOM 1420 CB LEU A 92 123.316 1.281 6.832 1.00 0.00 C ATOM 1421 CG LEU A 92 122.536 1.819 5.630 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.430 2.757 6.088 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.474 2.532 4.665 1.00 0.00 C ATOM 0 H LEU A 92 122.996 -1.212 6.366 1.00 0.00 H new ATOM 0 HA LEU A 92 125.062 0.753 5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.618 0.787 7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.743 2.124 7.376 1.00 0.00 H new ATOM 0 HG LEU A 92 122.079 0.977 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.886 3.130 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.744 2.219 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.866 3.596 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 92 122.904 2.909 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 92 123.957 3.365 5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.233 1.833 4.312 1.00 0.00 H new ATOM 1435 N LYS A 93 126.301 0.882 7.925 1.00 0.00 N ATOM 1436 CA LYS A 93 127.213 0.740 9.056 1.00 0.00 C ATOM 1437 C LYS A 93 126.440 0.895 10.364 1.00 0.00 C ATOM 1438 O LYS A 93 126.658 0.155 11.328 1.00 0.00 O ATOM 1439 CB LYS A 93 128.321 1.793 8.962 1.00 0.00 C ATOM 1440 CG LYS A 93 129.532 1.511 9.838 1.00 0.00 C ATOM 1441 CD LYS A 93 130.539 2.645 9.753 1.00 0.00 C ATOM 1442 CE LYS A 93 131.812 2.337 10.524 1.00 0.00 C ATOM 1443 NZ LYS A 93 132.583 1.222 9.914 1.00 0.00 N ATOM 0 H LYS A 93 126.499 1.682 7.325 1.00 0.00 H new ATOM 0 HA LYS A 93 127.668 -0.250 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.648 1.867 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 93 127.907 2.763 9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.215 1.378 10.872 1.00 0.00 H new ATOM 0 HG3 LYS A 93 130.002 0.578 9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 93 130.785 2.833 8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 93 130.090 3.558 10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 93 132.436 3.230 10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 93 131.559 2.081 11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 133.524 1.169 10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 132.078 0.326 10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 132.688 1.390 8.893 1.00 0.00 H new ATOM 1457 N THR A 94 125.552 1.875 10.380 1.00 0.00 N ATOM 1458 CA THR A 94 124.610 2.068 11.468 1.00 0.00 C ATOM 1459 C THR A 94 123.205 2.237 10.896 1.00 0.00 C ATOM 1460 O THR A 94 122.953 3.169 10.134 1.00 0.00 O ATOM 1461 CB THR A 94 124.976 3.304 12.324 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.214 3.075 13.011 1.00 0.00 O ATOM 1463 CG2 THR A 94 123.888 3.619 13.343 1.00 0.00 C ATOM 0 H THR A 94 125.465 2.564 9.633 1.00 0.00 H new ATOM 0 HA THR A 94 124.650 1.190 12.113 1.00 0.00 H new ATOM 0 HB THR A 94 125.075 4.155 11.651 1.00 0.00 H new ATOM 0 HG1 THR A 94 126.440 3.862 13.549 1.00 0.00 H new ATOM 0 HG21 THR A 94 124.178 4.493 13.927 1.00 0.00 H new ATOM 0 HG22 THR A 94 122.952 3.824 12.824 1.00 0.00 H new ATOM 0 HG23 THR A 94 123.755 2.766 14.008 1.00 0.00 H new ATOM 1471 N PRO A 95 122.286 1.315 11.223 1.00 0.00 N ATOM 1472 CA PRO A 95 120.896 1.389 10.761 1.00 0.00 C ATOM 1473 C PRO A 95 120.237 2.704 11.155 1.00 0.00 C ATOM 1474 O PRO A 95 120.272 3.110 12.318 1.00 0.00 O ATOM 1475 CB PRO A 95 120.219 0.212 11.462 1.00 0.00 C ATOM 1476 CG PRO A 95 121.328 -0.731 11.775 1.00 0.00 C ATOM 1477 CD PRO A 95 122.526 0.128 12.060 1.00 0.00 C ATOM 0 HA PRO A 95 120.820 1.344 9.675 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.705 0.533 12.368 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.472 -0.255 10.820 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.081 -1.355 12.634 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.518 -1.403 10.938 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.596 0.386 13.117 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.456 -0.374 11.792 1.00 0.00 H new ATOM 1485 N VAL A 96 119.633 3.361 10.183 1.00 0.00 N ATOM 1486 CA VAL A 96 119.061 4.677 10.400 1.00 0.00 C ATOM 1487 C VAL A 96 117.613 4.573 10.855 1.00 0.00 C ATOM 1488 O VAL A 96 116.721 4.263 10.063 1.00 0.00 O ATOM 1489 CB VAL A 96 119.141 5.541 9.129 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.555 6.919 9.381 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.580 5.646 8.648 1.00 0.00 C ATOM 0 H VAL A 96 119.525 3.004 9.233 1.00 0.00 H new ATOM 0 HA VAL A 96 119.647 5.157 11.184 1.00 0.00 H new ATOM 0 HB VAL A 96 118.553 5.061 8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.621 7.515 8.470 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.510 6.822 9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 96 119.113 7.411 10.178 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.619 6.260 7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 96 121.191 6.103 9.426 1.00 0.00 H new ATOM 0 HG23 VAL A 96 120.962 4.650 8.424 1.00 0.00 H new ATOM 1501 N THR A 97 117.393 4.821 12.135 1.00 0.00 N ATOM 1502 CA THR A 97 116.064 4.755 12.716 1.00 0.00 C ATOM 1503 C THR A 97 115.236 5.979 12.334 1.00 0.00 C ATOM 1504 O THR A 97 115.779 6.995 11.895 1.00 0.00 O ATOM 1505 CB THR A 97 116.152 4.658 14.251 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.946 5.735 14.768 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.760 3.331 14.679 1.00 0.00 C ATOM 0 H THR A 97 118.127 5.072 12.797 1.00 0.00 H new ATOM 0 HA THR A 97 115.575 3.864 12.323 1.00 0.00 H new ATOM 0 HB THR A 97 115.140 4.724 14.651 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.995 5.666 15.744 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.811 3.288 15.767 1.00 0.00 H new ATOM 0 HG22 THR A 97 116.141 2.512 14.312 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.764 3.241 14.265 1.00 0.00 H new ATOM 1515 N LEU A 98 113.922 5.875 12.495 1.00 0.00 N ATOM 1516 CA LEU A 98 113.022 6.993 12.252 1.00 0.00 C ATOM 1517 C LEU A 98 113.400 8.175 13.141 1.00 0.00 C ATOM 1518 O LEU A 98 113.288 9.331 12.739 1.00 0.00 O ATOM 1519 CB LEU A 98 111.573 6.574 12.517 1.00 0.00 C ATOM 1520 CG LEU A 98 110.512 7.633 12.202 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.524 7.980 10.723 1.00 0.00 C ATOM 1522 CD2 LEU A 98 109.133 7.149 12.626 1.00 0.00 C ATOM 0 H LEU A 98 113.454 5.020 12.795 1.00 0.00 H new ATOM 0 HA LEU A 98 113.113 7.295 11.209 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.357 5.683 11.928 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.480 6.293 13.566 1.00 0.00 H new ATOM 0 HG LEU A 98 110.749 8.535 12.767 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.763 8.734 10.520 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.504 8.370 10.449 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.313 7.085 10.138 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.392 7.914 12.395 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.888 6.232 12.089 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.130 6.953 13.698 1.00 0.00 H new ATOM 1534 N ALA A 99 113.875 7.869 14.343 1.00 0.00 N ATOM 1535 CA ALA A 99 114.321 8.892 15.278 1.00 0.00 C ATOM 1536 C ALA A 99 115.533 9.644 14.730 1.00 0.00 C ATOM 1537 O ALA A 99 115.732 10.823 15.027 1.00 0.00 O ATOM 1538 CB ALA A 99 114.650 8.268 16.626 1.00 0.00 C ATOM 0 H ALA A 99 113.961 6.915 14.693 1.00 0.00 H new ATOM 0 HA ALA A 99 113.510 9.608 15.410 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.982 9.045 17.315 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.761 7.782 17.028 1.00 0.00 H new ATOM 0 HB3 ALA A 99 115.443 7.530 16.502 1.00 0.00 H new ATOM 1544 N ALA A 100 116.336 8.951 13.929 1.00 0.00 N ATOM 1545 CA ALA A 100 117.506 9.555 13.306 1.00 0.00 C ATOM 1546 C ALA A 100 117.102 10.351 12.069 1.00 0.00 C ATOM 1547 O ALA A 100 117.652 11.415 11.798 1.00 0.00 O ATOM 1548 CB ALA A 100 118.528 8.487 12.947 1.00 0.00 C ATOM 0 H ALA A 100 116.196 7.968 13.696 1.00 0.00 H new ATOM 0 HA ALA A 100 117.963 10.241 14.020 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.396 8.955 12.483 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.839 7.963 13.851 1.00 0.00 H new ATOM 0 HB3 ALA A 100 118.083 7.777 12.250 1.00 0.00 H new ATOM 1554 N VAL A 101 116.132 9.830 11.327 1.00 0.00 N ATOM 1555 CA VAL A 101 115.600 10.527 10.160 1.00 0.00 C ATOM 1556 C VAL A 101 114.949 11.844 10.576 1.00 0.00 C ATOM 1557 O VAL A 101 115.177 12.889 9.969 1.00 0.00 O ATOM 1558 CB VAL A 101 114.562 9.661 9.413 1.00 0.00 C ATOM 1559 CG1 VAL A 101 113.983 10.411 8.221 1.00 0.00 C ATOM 1560 CG2 VAL A 101 115.182 8.348 8.962 1.00 0.00 C ATOM 0 H VAL A 101 115.697 8.926 11.512 1.00 0.00 H new ATOM 0 HA VAL A 101 116.436 10.727 9.490 1.00 0.00 H new ATOM 0 HB VAL A 101 113.749 9.441 10.105 1.00 0.00 H new ATOM 0 HG11 VAL A 101 113.255 9.779 7.712 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.494 11.322 8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.785 10.670 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.434 7.753 8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 101 116.018 8.551 8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.540 7.797 9.832 1.00 0.00 H new ATOM 1570 N LYS A 102 114.159 11.783 11.640 1.00 0.00 N ATOM 1571 CA LYS A 102 113.452 12.951 12.152 1.00 0.00 C ATOM 1572 C LYS A 102 114.398 13.905 12.881 1.00 0.00 C ATOM 1573 O LYS A 102 113.980 14.958 13.366 1.00 0.00 O ATOM 1574 CB LYS A 102 112.330 12.508 13.095 1.00 0.00 C ATOM 1575 CG LYS A 102 111.200 11.762 12.398 1.00 0.00 C ATOM 1576 CD LYS A 102 110.233 11.148 13.401 1.00 0.00 C ATOM 1577 CE LYS A 102 109.642 12.187 14.342 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.882 13.234 13.614 1.00 0.00 N ATOM 0 H LYS A 102 113.990 10.928 12.170 1.00 0.00 H new ATOM 0 HA LYS A 102 113.027 13.485 11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 102 112.751 11.868 13.870 1.00 0.00 H new ATOM 0 HB3 LYS A 102 111.920 13.386 13.594 1.00 0.00 H new ATOM 0 HG2 LYS A 102 110.661 12.446 11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.616 10.978 11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 102 109.427 10.646 12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 102 110.752 10.387 13.983 1.00 0.00 H new ATOM 0 HE2 LYS A 102 108.984 11.694 15.058 1.00 0.00 H new ATOM 0 HE3 LYS A 102 110.443 12.654 14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 108.413 13.862 14.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 109.534 13.790 13.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 108.165 12.785 13.009 1.00 0.00 H new ATOM 1592 N ALA A 103 115.669 13.534 12.957 1.00 0.00 N ATOM 1593 CA ALA A 103 116.668 14.360 13.621 1.00 0.00 C ATOM 1594 C ALA A 103 117.291 15.348 12.643 1.00 0.00 C ATOM 1595 O ALA A 103 117.953 16.305 13.046 1.00 0.00 O ATOM 1596 CB ALA A 103 117.747 13.494 14.252 1.00 0.00 C ATOM 0 H ALA A 103 116.033 12.665 12.566 1.00 0.00 H new ATOM 0 HA ALA A 103 116.169 14.923 14.409 1.00 0.00 H new ATOM 0 HB1 ALA A 103 118.483 14.130 14.743 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.295 12.828 14.987 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.237 12.902 13.479 1.00 0.00 H new ATOM 1602 N GLU A 104 117.082 15.111 11.357 1.00 0.00 N ATOM 1603 CA GLU A 104 117.626 15.978 10.326 1.00 0.00 C ATOM 1604 C GLU A 104 116.496 16.631 9.536 1.00 0.00 C ATOM 1605 O GLU A 104 115.812 15.972 8.753 1.00 0.00 O ATOM 1606 CB GLU A 104 118.551 15.183 9.398 1.00 0.00 C ATOM 1607 CG GLU A 104 119.239 16.027 8.334 1.00 0.00 C ATOM 1608 CD GLU A 104 120.045 17.172 8.918 1.00 0.00 C ATOM 1609 OE1 GLU A 104 121.077 16.910 9.571 1.00 0.00 O ATOM 1610 OE2 GLU A 104 119.652 18.340 8.720 1.00 0.00 O ATOM 0 H GLU A 104 116.538 14.324 11.003 1.00 0.00 H new ATOM 0 HA GLU A 104 118.212 16.765 10.800 1.00 0.00 H new ATOM 0 HB2 GLU A 104 119.312 14.686 10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 104 117.971 14.401 8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 104 119.897 15.391 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 104 118.488 16.428 7.654 1.00 0.00 H new ATOM 1617 N PRO A 105 116.286 17.942 9.741 1.00 0.00 N ATOM 1618 CA PRO A 105 115.214 18.694 9.074 1.00 0.00 C ATOM 1619 C PRO A 105 115.348 18.705 7.551 1.00 0.00 C ATOM 1620 O PRO A 105 114.412 19.071 6.840 1.00 0.00 O ATOM 1621 CB PRO A 105 115.351 20.113 9.639 1.00 0.00 C ATOM 1622 CG PRO A 105 116.729 20.185 10.199 1.00 0.00 C ATOM 1623 CD PRO A 105 117.068 18.795 10.654 1.00 0.00 C ATOM 0 HA PRO A 105 114.240 18.242 9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 105 115.204 20.862 8.861 1.00 0.00 H new ATOM 0 HB3 PRO A 105 114.604 20.303 10.409 1.00 0.00 H new ATOM 0 HG2 PRO A 105 117.437 20.532 9.447 1.00 0.00 H new ATOM 0 HG3 PRO A 105 116.776 20.889 11.030 1.00 0.00 H new ATOM 0 HD2 PRO A 105 118.137 18.595 10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 105 116.789 18.633 11.695 1.00 0.00 H new ATOM 1631 N ARG A 106 116.510 18.305 7.050 1.00 0.00 N ATOM 1632 CA ARG A 106 116.719 18.186 5.610 1.00 0.00 C ATOM 1633 C ARG A 106 115.908 17.019 5.051 1.00 0.00 C ATOM 1634 O ARG A 106 115.506 17.025 3.890 1.00 0.00 O ATOM 1635 CB ARG A 106 118.204 17.988 5.292 1.00 0.00 C ATOM 1636 CG ARG A 106 119.071 19.183 5.652 1.00 0.00 C ATOM 1637 CD ARG A 106 120.550 18.882 5.468 1.00 0.00 C ATOM 1638 NE ARG A 106 120.897 18.634 4.069 1.00 0.00 N ATOM 1639 CZ ARG A 106 122.062 18.124 3.671 1.00 0.00 C ATOM 1640 NH1 ARG A 106 122.977 17.770 4.569 1.00 0.00 N ATOM 1641 NH2 ARG A 106 122.310 17.962 2.375 1.00 0.00 N ATOM 0 H ARG A 106 117.321 18.058 7.617 1.00 0.00 H new ATOM 0 HA ARG A 106 116.383 19.110 5.140 1.00 0.00 H new ATOM 0 HB2 ARG A 106 118.568 17.112 5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 106 118.314 17.778 4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 106 118.793 20.034 5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 106 118.884 19.469 6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 106 121.138 19.720 5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 106 120.818 18.011 6.066 1.00 0.00 H new ATOM 0 HE ARG A 106 120.206 18.865 3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 106 122.788 17.889 5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 106 123.868 17.380 4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 106 121.608 18.228 1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 106 123.202 17.572 2.071 1.00 0.00 H new ATOM 1655 N LEU A 107 115.654 16.028 5.899 1.00 0.00 N ATOM 1656 CA LEU A 107 114.916 14.838 5.498 1.00 0.00 C ATOM 1657 C LEU A 107 113.431 14.995 5.795 1.00 0.00 C ATOM 1658 O LEU A 107 112.637 14.088 5.549 1.00 0.00 O ATOM 1659 CB LEU A 107 115.465 13.607 6.224 1.00 0.00 C ATOM 1660 CG LEU A 107 116.922 13.264 5.912 1.00 0.00 C ATOM 1661 CD1 LEU A 107 117.378 12.086 6.753 1.00 0.00 C ATOM 1662 CD2 LEU A 107 117.095 12.962 4.430 1.00 0.00 C ATOM 0 H LEU A 107 115.951 16.027 6.875 1.00 0.00 H new ATOM 0 HA LEU A 107 115.041 14.706 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 107 115.367 13.765 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 107 114.844 12.748 5.970 1.00 0.00 H new ATOM 0 HG LEU A 107 117.541 14.126 6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.417 11.853 6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 107 117.291 12.338 7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 107 116.754 11.219 6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 107 118.138 12.720 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 107 116.466 12.115 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 107 116.804 13.834 3.845 1.00 0.00 H new ATOM 1674 N ALA A 108 113.056 16.160 6.310 1.00 0.00 N ATOM 1675 CA ALA A 108 111.666 16.431 6.655 1.00 0.00 C ATOM 1676 C ALA A 108 110.812 16.604 5.403 1.00 0.00 C ATOM 1677 O ALA A 108 109.582 16.605 5.470 1.00 0.00 O ATOM 1678 CB ALA A 108 111.572 17.667 7.535 1.00 0.00 C ATOM 0 H ALA A 108 113.695 16.932 6.498 1.00 0.00 H new ATOM 0 HA ALA A 108 111.282 15.574 7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 108 110.528 17.857 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.141 17.506 8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 108 111.980 18.526 7.001 1.00 0.00 H new ATOM 1684 N ASP A 109 111.469 16.738 4.258 1.00 0.00 N ATOM 1685 CA ASP A 109 110.767 16.909 2.994 1.00 0.00 C ATOM 1686 C ASP A 109 110.827 15.618 2.175 1.00 0.00 C ATOM 1687 O ASP A 109 110.542 15.606 0.977 1.00 0.00 O ATOM 1688 CB ASP A 109 111.369 18.078 2.208 1.00 0.00 C ATOM 1689 CG ASP A 109 110.476 18.538 1.073 1.00 0.00 C ATOM 1690 OD1 ASP A 109 109.259 18.705 1.298 1.00 0.00 O ATOM 1691 OD2 ASP A 109 110.990 18.766 -0.042 1.00 0.00 O ATOM 0 H ASP A 109 112.486 16.732 4.179 1.00 0.00 H new ATOM 0 HA ASP A 109 109.721 17.136 3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 109 111.548 18.913 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 109 112.337 17.780 1.806 1.00 0.00 H new ATOM 1696 N MET A 110 111.195 14.528 2.836 1.00 0.00 N ATOM 1697 CA MET A 110 111.221 13.217 2.197 1.00 0.00 C ATOM 1698 C MET A 110 109.843 12.570 2.302 1.00 0.00 C ATOM 1699 O MET A 110 109.091 12.862 3.234 1.00 0.00 O ATOM 1700 CB MET A 110 112.294 12.328 2.846 1.00 0.00 C ATOM 1701 CG MET A 110 112.416 10.942 2.223 1.00 0.00 C ATOM 1702 SD MET A 110 113.866 10.039 2.804 1.00 0.00 S ATOM 1703 CE MET A 110 113.576 10.018 4.568 1.00 0.00 C ATOM 0 H MET A 110 111.480 14.525 3.815 1.00 0.00 H new ATOM 0 HA MET A 110 111.474 13.334 1.143 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.258 12.832 2.777 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.067 12.219 3.907 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.519 10.366 2.451 1.00 0.00 H new ATOM 0 HG3 MET A 110 112.465 11.039 1.138 1.00 0.00 H new ATOM 0 HE1 MET A 110 114.352 10.595 5.071 1.00 0.00 H new ATOM 0 HE2 MET A 110 112.601 10.456 4.782 1.00 0.00 H new ATOM 0 HE3 MET A 110 113.598 8.989 4.928 1.00 0.00 H new ATOM 1713 N ALA A 111 109.511 11.706 1.343 1.00 0.00 N ATOM 1714 CA ALA A 111 108.205 11.041 1.305 1.00 0.00 C ATOM 1715 C ALA A 111 107.886 10.329 2.619 1.00 0.00 C ATOM 1716 O ALA A 111 106.720 10.206 2.993 1.00 0.00 O ATOM 1717 CB ALA A 111 108.143 10.053 0.147 1.00 0.00 C ATOM 0 H ALA A 111 110.132 11.448 0.576 1.00 0.00 H new ATOM 0 HA ALA A 111 107.453 11.816 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 111 107.167 9.569 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.297 10.584 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 111 108.921 9.299 0.270 1.00 0.00 H new ATOM 1723 N LEU A 112 108.925 9.878 3.318 1.00 0.00 N ATOM 1724 CA LEU A 112 108.768 9.191 4.601 1.00 0.00 C ATOM 1725 C LEU A 112 108.093 10.096 5.633 1.00 0.00 C ATOM 1726 O LEU A 112 107.339 9.632 6.489 1.00 0.00 O ATOM 1727 CB LEU A 112 110.135 8.733 5.120 1.00 0.00 C ATOM 1728 CG LEU A 112 110.102 7.898 6.404 1.00 0.00 C ATOM 1729 CD1 LEU A 112 109.342 6.601 6.178 1.00 0.00 C ATOM 1730 CD2 LEU A 112 111.515 7.608 6.888 1.00 0.00 C ATOM 0 H LEU A 112 109.894 9.977 3.015 1.00 0.00 H new ATOM 0 HA LEU A 112 108.131 8.321 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 112 110.625 8.150 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 112 110.753 9.614 5.295 1.00 0.00 H new ATOM 0 HG LEU A 112 109.584 8.471 7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 112 109.329 6.021 7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 112 108.319 6.826 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 112 109.832 6.024 5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 112 111.472 7.014 7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 112 112.056 7.055 6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.030 8.547 7.090 1.00 0.00 H new ATOM 1742 N MET A 113 108.350 11.390 5.525 1.00 0.00 N ATOM 1743 CA MET A 113 107.798 12.366 6.458 1.00 0.00 C ATOM 1744 C MET A 113 106.487 12.937 5.925 1.00 0.00 C ATOM 1745 O MET A 113 105.827 13.733 6.590 1.00 0.00 O ATOM 1746 CB MET A 113 108.799 13.497 6.697 1.00 0.00 C ATOM 1747 CG MET A 113 110.114 13.024 7.296 1.00 0.00 C ATOM 1748 SD MET A 113 109.899 12.235 8.902 1.00 0.00 S ATOM 1749 CE MET A 113 109.204 13.590 9.848 1.00 0.00 C ATOM 0 H MET A 113 108.940 11.793 4.797 1.00 0.00 H new ATOM 0 HA MET A 113 107.600 11.861 7.404 1.00 0.00 H new ATOM 0 HB2 MET A 113 109.000 14.000 5.751 1.00 0.00 H new ATOM 0 HB3 MET A 113 108.350 14.235 7.362 1.00 0.00 H new ATOM 0 HG2 MET A 113 110.589 12.322 6.611 1.00 0.00 H new ATOM 0 HG3 MET A 113 110.788 13.874 7.400 1.00 0.00 H new ATOM 0 HE1 MET A 113 109.047 13.271 10.878 1.00 0.00 H new ATOM 0 HE2 MET A 113 109.891 14.436 9.831 1.00 0.00 H new ATOM 0 HE3 MET A 113 108.251 13.888 9.411 1.00 0.00 H new ATOM 1759 N LYS A 114 106.117 12.525 4.719 1.00 0.00 N ATOM 1760 CA LYS A 114 104.891 12.998 4.091 1.00 0.00 C ATOM 1761 C LYS A 114 103.805 11.932 4.178 1.00 0.00 C ATOM 1762 O LYS A 114 102.749 12.146 4.773 1.00 0.00 O ATOM 1763 CB LYS A 114 105.138 13.360 2.624 1.00 0.00 C ATOM 1764 CG LYS A 114 106.193 14.436 2.423 1.00 0.00 C ATOM 1765 CD LYS A 114 106.344 14.795 0.954 1.00 0.00 C ATOM 1766 CE LYS A 114 107.438 15.829 0.739 1.00 0.00 C ATOM 1767 NZ LYS A 114 107.155 17.107 1.446 1.00 0.00 N ATOM 0 H LYS A 114 106.650 11.863 4.156 1.00 0.00 H new ATOM 0 HA LYS A 114 104.562 13.890 4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 114 105.441 12.463 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 114 104.201 13.697 2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 114 105.921 15.326 2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 114 107.149 14.088 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 114 106.574 13.897 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 114 105.398 15.181 0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 114 108.389 15.426 1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 114 107.546 16.023 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 107.801 17.845 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 106.172 17.394 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 107.294 16.976 2.468 1.00 0.00 H new ATOM 1781 N TYR A 115 104.079 10.777 3.588 1.00 0.00 N ATOM 1782 CA TYR A 115 103.121 9.684 3.573 1.00 0.00 C ATOM 1783 C TYR A 115 103.680 8.507 4.358 1.00 0.00 C ATOM 1784 O TYR A 115 104.442 7.710 3.819 1.00 0.00 O ATOM 1785 CB TYR A 115 102.831 9.218 2.141 1.00 0.00 C ATOM 1786 CG TYR A 115 102.795 10.313 1.098 1.00 0.00 C ATOM 1787 CD1 TYR A 115 101.660 11.089 0.903 1.00 0.00 C ATOM 1788 CD2 TYR A 115 103.898 10.545 0.285 1.00 0.00 C ATOM 1789 CE1 TYR A 115 101.627 12.067 -0.075 1.00 0.00 C ATOM 1790 CE2 TYR A 115 103.875 11.523 -0.687 1.00 0.00 C ATOM 1791 CZ TYR A 115 102.738 12.279 -0.865 1.00 0.00 C ATOM 1792 OH TYR A 115 102.711 13.243 -1.849 1.00 0.00 O ATOM 0 H TYR A 115 104.959 10.574 3.113 1.00 0.00 H new ATOM 0 HA TYR A 115 102.196 10.044 4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 115 103.589 8.490 1.853 1.00 0.00 H new ATOM 0 HB3 TYR A 115 101.872 8.700 2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 115 100.791 10.927 1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 115 104.789 9.949 0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 115 100.737 12.661 -0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 115 104.744 11.695 -1.305 1.00 0.00 H new ATOM 0 HH TYR A 115 103.575 13.263 -2.311 1.00 0.00 H new ATOM 1802 N SER A 116 103.319 8.393 5.625 1.00 0.00 N ATOM 1803 CA SER A 116 103.836 7.312 6.456 1.00 0.00 C ATOM 1804 C SER A 116 103.171 5.979 6.099 1.00 0.00 C ATOM 1805 O SER A 116 103.642 4.912 6.492 1.00 0.00 O ATOM 1806 CB SER A 116 103.635 7.643 7.934 1.00 0.00 C ATOM 1807 OG SER A 116 104.308 8.848 8.273 1.00 0.00 O ATOM 0 H SER A 116 102.677 9.027 6.100 1.00 0.00 H new ATOM 0 HA SER A 116 104.904 7.210 6.265 1.00 0.00 H new ATOM 0 HB2 SER A 116 102.571 7.742 8.149 1.00 0.00 H new ATOM 0 HB3 SER A 116 104.010 6.825 8.550 1.00 0.00 H new ATOM 0 HG SER A 116 104.167 9.045 9.223 1.00 0.00 H new ATOM 1813 N ARG A 117 102.087 6.054 5.338 1.00 0.00 N ATOM 1814 CA ARG A 117 101.357 4.863 4.917 1.00 0.00 C ATOM 1815 C ARG A 117 101.953 4.297 3.630 1.00 0.00 C ATOM 1816 O ARG A 117 101.943 3.085 3.407 1.00 0.00 O ATOM 1817 CB ARG A 117 99.881 5.203 4.708 1.00 0.00 C ATOM 1818 CG ARG A 117 99.242 5.875 5.911 1.00 0.00 C ATOM 1819 CD ARG A 117 97.839 6.367 5.599 1.00 0.00 C ATOM 1820 NE ARG A 117 97.821 7.289 4.461 1.00 0.00 N ATOM 1821 CZ ARG A 117 98.009 8.606 4.555 1.00 0.00 C ATOM 1822 NH1 ARG A 117 98.265 9.167 5.730 1.00 0.00 N ATOM 1823 NH2 ARG A 117 97.956 9.361 3.461 1.00 0.00 N ATOM 0 H ARG A 117 101.692 6.931 4.998 1.00 0.00 H new ATOM 0 HA ARG A 117 101.441 4.108 5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.785 5.858 3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 117 99.334 4.289 4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 117 99.205 5.172 6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 117 99.860 6.715 6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.195 5.514 5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 117 97.426 6.866 6.476 1.00 0.00 H new ATOM 0 HE ARG A 117 97.653 6.897 3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 117 98.319 8.590 6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 117 98.408 10.175 5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 117 97.772 8.932 2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 117 98.099 10.369 3.529 1.00 0.00 H new ATOM 1837 N LEU A 118 102.472 5.187 2.790 1.00 0.00 N ATOM 1838 CA LEU A 118 103.085 4.802 1.523 1.00 0.00 C ATOM 1839 C LEU A 118 104.310 3.925 1.766 1.00 0.00 C ATOM 1840 O LEU A 118 105.324 4.381 2.301 1.00 0.00 O ATOM 1841 CB LEU A 118 103.479 6.056 0.730 1.00 0.00 C ATOM 1842 CG LEU A 118 104.108 5.811 -0.646 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.123 5.137 -1.586 1.00 0.00 C ATOM 1844 CD2 LEU A 118 104.596 7.122 -1.246 1.00 0.00 C ATOM 0 H LEU A 118 102.480 6.191 2.967 1.00 0.00 H new ATOM 0 HA LEU A 118 102.361 4.229 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 118 102.589 6.672 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.180 6.636 1.330 1.00 0.00 H new ATOM 0 HG LEU A 118 104.960 5.144 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.596 4.976 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 118 102.818 4.178 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.247 5.773 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.040 6.932 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 118 103.755 7.807 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.343 7.567 -0.588 1.00 0.00 H new ATOM 1856 N SER A 119 104.203 2.660 1.393 1.00 0.00 N ATOM 1857 CA SER A 119 105.292 1.716 1.585 1.00 0.00 C ATOM 1858 C SER A 119 106.412 1.985 0.584 1.00 0.00 C ATOM 1859 O SER A 119 107.543 2.279 0.975 1.00 0.00 O ATOM 1860 CB SER A 119 104.777 0.281 1.447 1.00 0.00 C ATOM 1861 OG SER A 119 105.737 -0.656 1.901 1.00 0.00 O ATOM 0 H SER A 119 103.372 2.263 0.955 1.00 0.00 H new ATOM 0 HA SER A 119 105.694 1.844 2.590 1.00 0.00 H new ATOM 0 HB2 SER A 119 103.856 0.167 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 119 104.533 0.079 0.404 1.00 0.00 H new ATOM 0 HG SER A 119 105.380 -1.563 1.803 1.00 0.00 H new ATOM 1867 N VAL A 120 106.081 1.917 -0.703 1.00 0.00 N ATOM 1868 CA VAL A 120 107.058 2.143 -1.762 1.00 0.00 C ATOM 1869 C VAL A 120 107.174 3.633 -2.066 1.00 0.00 C ATOM 1870 O VAL A 120 106.269 4.231 -2.648 1.00 0.00 O ATOM 1871 CB VAL A 120 106.682 1.384 -3.052 1.00 0.00 C ATOM 1872 CG1 VAL A 120 107.722 1.620 -4.137 1.00 0.00 C ATOM 1873 CG2 VAL A 120 106.530 -0.102 -2.771 1.00 0.00 C ATOM 0 H VAL A 120 105.141 1.707 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 120 108.017 1.765 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 120 105.725 1.766 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 120 107.438 1.076 -5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 120 107.780 2.685 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 120 108.694 1.268 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 120 106.265 -0.621 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.471 -0.498 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 120 105.745 -0.254 -2.030 1.00 0.00 H new ATOM 1883 N GLN A 121 108.286 4.224 -1.665 1.00 0.00 N ATOM 1884 CA GLN A 121 108.471 5.662 -1.787 1.00 0.00 C ATOM 1885 C GLN A 121 109.647 6.006 -2.695 1.00 0.00 C ATOM 1886 O GLN A 121 110.569 5.209 -2.847 1.00 0.00 O ATOM 1887 CB GLN A 121 108.692 6.265 -0.404 1.00 0.00 C ATOM 1888 CG GLN A 121 107.476 6.177 0.492 1.00 0.00 C ATOM 1889 CD GLN A 121 107.749 6.646 1.900 1.00 0.00 C ATOM 1890 OE1 GLN A 121 108.849 6.483 2.428 1.00 0.00 O ATOM 1891 NE2 GLN A 121 106.747 7.231 2.521 1.00 0.00 N ATOM 0 H GLN A 121 109.077 3.730 -1.251 1.00 0.00 H new ATOM 0 HA GLN A 121 107.571 6.081 -2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 121 109.526 5.755 0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 121 108.978 7.311 -0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 121 106.672 6.776 0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 121 107.125 5.145 0.520 1.00 0.00 H new ATOM 0 HE21 GLN A 121 105.851 7.347 2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 121 106.866 7.569 3.476 1.00 0.00 H new ATOM 1900 N PRO A 122 109.609 7.193 -3.323 1.00 0.00 N ATOM 1901 CA PRO A 122 110.695 7.697 -4.150 1.00 0.00 C ATOM 1902 C PRO A 122 111.695 8.538 -3.353 1.00 0.00 C ATOM 1903 O PRO A 122 111.311 9.388 -2.546 1.00 0.00 O ATOM 1904 CB PRO A 122 109.970 8.563 -5.189 1.00 0.00 C ATOM 1905 CG PRO A 122 108.588 8.812 -4.648 1.00 0.00 C ATOM 1906 CD PRO A 122 108.493 8.140 -3.301 1.00 0.00 C ATOM 0 HA PRO A 122 111.288 6.891 -4.582 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.499 9.502 -5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 122 109.924 8.056 -6.153 1.00 0.00 H new ATOM 0 HG2 PRO A 122 108.401 9.882 -4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 122 107.834 8.414 -5.328 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.589 8.857 -2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.537 7.633 -3.170 1.00 0.00 H new ATOM 1914 N VAL A 123 112.974 8.291 -3.585 1.00 0.00 N ATOM 1915 CA VAL A 123 114.040 9.007 -2.899 1.00 0.00 C ATOM 1916 C VAL A 123 114.991 9.636 -3.918 1.00 0.00 C ATOM 1917 O VAL A 123 115.336 9.017 -4.925 1.00 0.00 O ATOM 1918 CB VAL A 123 114.834 8.065 -1.960 1.00 0.00 C ATOM 1919 CG1 VAL A 123 115.955 8.811 -1.256 1.00 0.00 C ATOM 1920 CG2 VAL A 123 113.911 7.413 -0.939 1.00 0.00 C ATOM 0 H VAL A 123 113.303 7.592 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 123 113.582 9.790 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 123 115.278 7.282 -2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.495 8.125 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.640 9.222 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.535 9.622 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.491 6.756 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.431 8.185 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.149 6.831 -1.457 1.00 0.00 H new ATOM 1930 N THR A 124 115.394 10.871 -3.672 1.00 0.00 N ATOM 1931 CA THR A 124 116.326 11.553 -4.553 1.00 0.00 C ATOM 1932 C THR A 124 117.763 11.315 -4.097 1.00 0.00 C ATOM 1933 O THR A 124 117.996 10.845 -2.983 1.00 0.00 O ATOM 1934 CB THR A 124 116.040 13.067 -4.603 1.00 0.00 C ATOM 1935 OG1 THR A 124 116.040 13.610 -3.277 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.698 13.341 -5.266 1.00 0.00 C ATOM 0 H THR A 124 115.090 11.422 -2.869 1.00 0.00 H new ATOM 0 HA THR A 124 116.195 11.144 -5.555 1.00 0.00 H new ATOM 0 HB THR A 124 116.824 13.544 -5.191 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.203 13.372 -2.826 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.517 14.416 -5.290 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.709 12.952 -6.284 1.00 0.00 H new ATOM 0 HG23 THR A 124 113.906 12.852 -4.699 1.00 0.00 H new ATOM 1944 N ALA A 125 118.723 11.642 -4.959 1.00 0.00 N ATOM 1945 CA ALA A 125 120.137 11.441 -4.651 1.00 0.00 C ATOM 1946 C ALA A 125 120.549 12.199 -3.390 1.00 0.00 C ATOM 1947 O ALA A 125 121.349 11.703 -2.594 1.00 0.00 O ATOM 1948 CB ALA A 125 120.999 11.867 -5.830 1.00 0.00 C ATOM 0 H ALA A 125 118.547 12.048 -5.878 1.00 0.00 H new ATOM 0 HA ALA A 125 120.290 10.378 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 125 122.050 11.712 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.737 11.273 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.828 12.922 -6.043 1.00 0.00 H new ATOM 1954 N GLU A 126 119.986 13.392 -3.216 1.00 0.00 N ATOM 1955 CA GLU A 126 120.266 14.219 -2.049 1.00 0.00 C ATOM 1956 C GLU A 126 119.919 13.467 -0.766 1.00 0.00 C ATOM 1957 O GLU A 126 120.767 13.283 0.110 1.00 0.00 O ATOM 1958 CB GLU A 126 119.453 15.513 -2.123 1.00 0.00 C ATOM 1959 CG GLU A 126 119.810 16.531 -1.051 1.00 0.00 C ATOM 1960 CD GLU A 126 121.192 17.115 -1.247 1.00 0.00 C ATOM 1961 OE1 GLU A 126 121.382 17.880 -2.214 1.00 0.00 O ATOM 1962 OE2 GLU A 126 122.095 16.819 -0.438 1.00 0.00 O ATOM 0 H GLU A 126 119.328 13.809 -3.875 1.00 0.00 H new ATOM 0 HA GLU A 126 121.329 14.458 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 126 119.600 15.966 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 126 118.394 15.270 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 126 119.074 17.335 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 126 119.754 16.057 -0.071 1.00 0.00 H new ATOM 1969 N GLU A 127 118.668 13.027 -0.686 1.00 0.00 N ATOM 1970 CA GLU A 127 118.166 12.300 0.474 1.00 0.00 C ATOM 1971 C GLU A 127 118.927 10.991 0.654 1.00 0.00 C ATOM 1972 O GLU A 127 119.392 10.676 1.748 1.00 0.00 O ATOM 1973 CB GLU A 127 116.672 12.013 0.291 1.00 0.00 C ATOM 1974 CG GLU A 127 115.845 13.256 0.002 1.00 0.00 C ATOM 1975 CD GLU A 127 114.482 12.933 -0.578 1.00 0.00 C ATOM 1976 OE1 GLU A 127 114.431 12.330 -1.671 1.00 0.00 O ATOM 1977 OE2 GLU A 127 113.461 13.289 0.040 1.00 0.00 O ATOM 0 H GLU A 127 117.975 13.164 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 127 118.313 12.911 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.544 11.303 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.289 11.533 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 127 115.717 13.824 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.389 13.895 -0.694 1.00 0.00 H new ATOM 1984 N TRP A 128 119.057 10.250 -0.444 1.00 0.00 N ATOM 1985 CA TRP A 128 119.725 8.952 -0.445 1.00 0.00 C ATOM 1986 C TRP A 128 121.110 9.023 0.193 1.00 0.00 C ATOM 1987 O TRP A 128 121.373 8.368 1.204 1.00 0.00 O ATOM 1988 CB TRP A 128 119.840 8.430 -1.883 1.00 0.00 C ATOM 1989 CG TRP A 128 120.535 7.107 -1.994 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.875 6.895 -2.152 1.00 0.00 C ATOM 1991 CD2 TRP A 128 119.926 5.813 -1.964 1.00 0.00 C ATOM 1992 NE1 TRP A 128 122.135 5.549 -2.212 1.00 0.00 N ATOM 1993 CE2 TRP A 128 120.955 4.865 -2.101 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.609 5.364 -1.832 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.707 3.496 -2.108 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.365 4.006 -1.839 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.410 3.085 -1.975 1.00 0.00 C ATOM 0 H TRP A 128 118.702 10.533 -1.357 1.00 0.00 H new ATOM 0 HA TRP A 128 119.122 8.267 0.151 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.840 8.341 -2.308 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.378 9.164 -2.484 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.621 7.673 -2.220 1.00 0.00 H new ATOM 0 HE1 TRP A 128 123.057 5.127 -2.321 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.797 6.068 -1.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.511 2.783 -2.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.351 3.648 -1.738 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.187 2.028 -1.975 1.00 0.00 H new ATOM 2008 N LYS A 129 121.989 9.829 -0.391 1.00 0.00 N ATOM 2009 CA LYS A 129 123.384 9.864 0.033 1.00 0.00 C ATOM 2010 C LYS A 129 123.534 10.503 1.410 1.00 0.00 C ATOM 2011 O LYS A 129 124.494 10.223 2.130 1.00 0.00 O ATOM 2012 CB LYS A 129 124.243 10.593 -1.004 1.00 0.00 C ATOM 2013 CG LYS A 129 124.203 9.937 -2.379 1.00 0.00 C ATOM 2014 CD LYS A 129 125.197 10.564 -3.348 1.00 0.00 C ATOM 2015 CE LYS A 129 126.635 10.303 -2.929 1.00 0.00 C ATOM 2016 NZ LYS A 129 127.604 10.754 -3.962 1.00 0.00 N ATOM 0 H LYS A 129 121.762 10.464 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 129 123.735 8.835 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.901 11.625 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 129 125.275 10.627 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.419 8.873 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 129 123.197 10.020 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 129 125.031 10.164 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 129 125.023 11.639 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 129 126.839 10.818 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 129 126.771 9.238 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 128.573 10.558 -3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 127.426 10.244 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 127.492 11.776 -4.121 1.00 0.00 H new ATOM 2030 N LEU A 130 122.574 11.342 1.784 1.00 0.00 N ATOM 2031 CA LEU A 130 122.589 11.967 3.099 1.00 0.00 C ATOM 2032 C LEU A 130 122.341 10.924 4.183 1.00 0.00 C ATOM 2033 O LEU A 130 123.086 10.843 5.159 1.00 0.00 O ATOM 2034 CB LEU A 130 121.539 13.077 3.188 1.00 0.00 C ATOM 2035 CG LEU A 130 121.464 13.792 4.537 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.802 14.425 4.883 1.00 0.00 C ATOM 2037 CD2 LEU A 130 120.366 14.843 4.522 1.00 0.00 C ATOM 0 H LEU A 130 121.781 11.603 1.198 1.00 0.00 H new ATOM 0 HA LEU A 130 123.572 12.411 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.747 13.816 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.561 12.650 2.966 1.00 0.00 H new ATOM 0 HG LEU A 130 121.226 13.054 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.728 14.929 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.568 13.651 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 130 123.071 15.150 4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.327 15.342 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 130 120.575 15.577 3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.407 14.365 4.321 1.00 0.00 H new ATOM 2049 N VAL A 131 121.300 10.120 3.994 1.00 0.00 N ATOM 2050 CA VAL A 131 120.956 9.067 4.943 1.00 0.00 C ATOM 2051 C VAL A 131 122.079 8.037 5.033 1.00 0.00 C ATOM 2052 O VAL A 131 122.406 7.558 6.118 1.00 0.00 O ATOM 2053 CB VAL A 131 119.641 8.358 4.541 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.305 7.230 5.503 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.495 9.355 4.473 1.00 0.00 C ATOM 0 H VAL A 131 120.677 10.178 3.188 1.00 0.00 H new ATOM 0 HA VAL A 131 120.817 9.537 5.917 1.00 0.00 H new ATOM 0 HB VAL A 131 119.787 7.924 3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.376 6.752 5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 131 120.110 6.495 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.188 7.633 6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.579 8.837 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.360 9.822 5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.723 10.122 3.733 1.00 0.00 H new ATOM 2065 N CYS A 132 122.675 7.720 3.890 1.00 0.00 N ATOM 2066 CA CYS A 132 123.793 6.786 3.844 1.00 0.00 C ATOM 2067 C CYS A 132 124.949 7.288 4.707 1.00 0.00 C ATOM 2068 O CYS A 132 125.414 6.588 5.606 1.00 0.00 O ATOM 2069 CB CYS A 132 124.258 6.592 2.401 1.00 0.00 C ATOM 2070 SG CYS A 132 122.997 5.896 1.310 1.00 0.00 S ATOM 0 H CYS A 132 122.402 8.096 2.982 1.00 0.00 H new ATOM 0 HA CYS A 132 123.458 5.827 4.240 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.579 7.554 2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 132 125.130 5.938 2.396 1.00 0.00 H new ATOM 0 HG CYS A 132 122.101 6.801 1.050 1.00 0.00 H new ATOM 2076 N LYS A 133 125.386 8.515 4.447 1.00 0.00 N ATOM 2077 CA LYS A 133 126.476 9.117 5.204 1.00 0.00 C ATOM 2078 C LYS A 133 126.100 9.259 6.677 1.00 0.00 C ATOM 2079 O LYS A 133 126.931 9.064 7.565 1.00 0.00 O ATOM 2080 CB LYS A 133 126.831 10.483 4.610 1.00 0.00 C ATOM 2081 CG LYS A 133 127.884 11.243 5.403 1.00 0.00 C ATOM 2082 CD LYS A 133 128.202 12.592 4.773 1.00 0.00 C ATOM 2083 CE LYS A 133 126.990 13.512 4.762 1.00 0.00 C ATOM 2084 NZ LYS A 133 127.318 14.854 4.214 1.00 0.00 N ATOM 0 H LYS A 133 125.001 9.113 3.716 1.00 0.00 H new ATOM 0 HA LYS A 133 127.346 8.464 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 133 127.189 10.343 3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 133 125.927 11.089 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 133 127.532 11.392 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 133 128.794 10.646 5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 133 129.014 13.067 5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 133 128.554 12.442 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 133 126.197 13.060 4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 133 126.606 13.618 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 126.466 15.451 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 128.057 15.296 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 127.661 14.756 3.237 1.00 0.00 H new ATOM 2098 N MET A 134 124.836 9.582 6.926 1.00 0.00 N ATOM 2099 CA MET A 134 124.321 9.714 8.285 1.00 0.00 C ATOM 2100 C MET A 134 124.370 8.371 9.011 1.00 0.00 C ATOM 2101 O MET A 134 124.498 8.316 10.237 1.00 0.00 O ATOM 2102 CB MET A 134 122.887 10.251 8.243 1.00 0.00 C ATOM 2103 CG MET A 134 122.276 10.497 9.609 1.00 0.00 C ATOM 2104 SD MET A 134 120.655 11.274 9.517 1.00 0.00 S ATOM 2105 CE MET A 134 119.765 10.074 8.536 1.00 0.00 C ATOM 0 H MET A 134 124.144 9.759 6.198 1.00 0.00 H new ATOM 0 HA MET A 134 124.947 10.417 8.834 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.876 11.184 7.679 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.261 9.543 7.700 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.190 9.549 10.140 1.00 0.00 H new ATOM 0 HG3 MET A 134 122.945 11.130 10.193 1.00 0.00 H new ATOM 0 HE1 MET A 134 118.744 9.987 8.906 1.00 0.00 H new ATOM 0 HE2 MET A 134 119.747 10.396 7.495 1.00 0.00 H new ATOM 0 HE3 MET A 134 120.261 9.106 8.608 1.00 0.00 H new ATOM 2115 N GLY A 135 124.283 7.291 8.243 1.00 0.00 N ATOM 2116 CA GLY A 135 124.356 5.959 8.807 1.00 0.00 C ATOM 2117 C GLY A 135 125.779 5.444 8.886 1.00 0.00 C ATOM 2118 O GLY A 135 126.007 4.251 9.077 1.00 0.00 O ATOM 0 H GLY A 135 124.162 7.317 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.919 5.965 9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.759 5.277 8.201 1.00 0.00 H new ATOM 2122 N GLY A 136 126.739 6.344 8.710 1.00 0.00 N ATOM 2123 CA GLY A 136 128.134 5.982 8.854 1.00 0.00 C ATOM 2124 C GLY A 136 128.719 5.379 7.594 1.00 0.00 C ATOM 2125 O GLY A 136 129.852 4.895 7.599 1.00 0.00 O ATOM 0 H GLY A 136 126.574 7.321 8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.708 6.868 9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 136 128.237 5.270 9.673 1.00 0.00 H new ATOM 2129 N LEU A 137 127.954 5.401 6.511 1.00 0.00 N ATOM 2130 CA LEU A 137 128.421 4.857 5.245 1.00 0.00 C ATOM 2131 C LEU A 137 129.354 5.849 4.563 1.00 0.00 C ATOM 2132 O LEU A 137 128.930 6.651 3.729 1.00 0.00 O ATOM 2133 CB LEU A 137 127.247 4.524 4.323 1.00 0.00 C ATOM 2134 CG LEU A 137 127.621 3.812 3.023 1.00 0.00 C ATOM 2135 CD1 LEU A 137 127.908 2.341 3.285 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.515 3.978 1.993 1.00 0.00 C ATOM 0 H LEU A 137 127.011 5.788 6.484 1.00 0.00 H new ATOM 0 HA LEU A 137 128.965 3.935 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.542 3.899 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 137 126.727 5.449 4.075 1.00 0.00 H new ATOM 0 HG LEU A 137 128.528 4.266 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 137 128.173 1.850 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 137 128.736 2.251 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 137 127.021 1.867 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 137 126.795 3.466 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.590 3.549 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.365 5.038 1.787 1.00 0.00 H new