USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 815 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 Single : A 1 LYS N :NH3+ 132:sc= 0.03 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.17) USER MOD Single : A 3 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.65) USER MOD Single : A 5 GLN : amide:sc= -3.78! K(o=-3.8!,f=-0.83) USER MOD Single : A 7 HIS : no HD1:sc= -0.167 K(o=-0.17,f=-0.78) USER MOD Single : A 10 SER OG : rot 42:sc= 0.0102 USER MOD Single : A 11 HIS : no HE2:sc= -0.692 K(o=-0.69,f=-3.2!) USER MOD Single : A 13 ASN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -62:sc= 0 USER MOD Single : A 27 MET CE :methyl 137:sc= -0.438 (180deg=-0.665) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 139:sc= -0.0289 (180deg=-0.728) USER MOD Single : A 37 MET CE :methyl -166:sc= -2.83 (180deg=-3.39!) USER MOD Single : A 38 GLN : amide:sc= -4.68! K(o=-4.7!,f=-2.4) USER MOD Single : A 39 ASN : amide:sc= -4.21! C(o=-4.2!,f=-5.1!) USER MOD Single : A 44 HIS : no HD1:sc= -0.119 K(o=-0.12,f=-1.6) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -128:sc= 1.23 USER MOD Single : A 56 GLN : amide:sc= -0.0705 K(o=-0.07,f=-1.8!) USER MOD Single : A 57 GLN : amide:sc= -0.261 K(o=-0.26,f=-2.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.85! K(o=-1.9!,f=-0.71) USER MOD Single : A 69 GLN : amide:sc= -0.287 K(o=-0.29,f=-1.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.59) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -2.01! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 175:sc= -0.445 (180deg=-0.486) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -7.17! C(o=-7.2!,f=-8.3!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 65:sc= 0.794 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 46.613 43.933 59.255 1.00 70.51 N ATOM 2 CA LYS A 1 45.868 44.220 60.476 1.00 62.24 C ATOM 3 C LYS A 1 45.194 45.586 60.393 1.00 34.53 C ATOM 4 O LYS A 1 45.734 46.519 59.801 1.00 74.43 O ATOM 5 CB LYS A 1 46.801 44.173 61.689 1.00 35.24 C ATOM 6 CG LYS A 1 46.853 42.813 62.361 1.00 45.44 C ATOM 7 CD LYS A 1 48.184 42.590 63.063 1.00 11.54 C ATOM 8 CE LYS A 1 48.349 41.141 63.497 1.00 14.11 C ATOM 9 NZ LYS A 1 49.437 40.458 62.744 1.00 0.21 N ATOM 0 H1 LYS A 1 47.565 43.595 59.501 1.00 70.51 H new ATOM 0 H2 LYS A 1 46.116 43.200 58.709 1.00 70.51 H new ATOM 0 H3 LYS A 1 46.689 44.798 58.683 1.00 70.51 H new ATOM 0 HA LYS A 1 45.096 43.459 60.589 1.00 62.24 H new ATOM 0 HB2 LYS A 1 47.807 44.453 61.375 1.00 35.24 H new ATOM 0 HB3 LYS A 1 46.476 44.917 62.417 1.00 35.24 H new ATOM 0 HG2 LYS A 1 46.041 42.731 63.084 1.00 45.44 H new ATOM 0 HG3 LYS A 1 46.697 42.032 61.617 1.00 45.44 H new ATOM 0 HD2 LYS A 1 49.000 42.866 62.395 1.00 11.54 H new ATOM 0 HD3 LYS A 1 48.251 43.242 63.934 1.00 11.54 H new ATOM 0 HE2 LYS A 1 48.567 41.104 64.564 1.00 14.11 H new ATOM 0 HE3 LYS A 1 47.411 40.607 63.345 1.00 14.11 H new ATOM 0 HZ1 LYS A 1 49.518 39.473 63.068 1.00 0.21 H new ATOM 0 HZ2 LYS A 1 49.217 40.471 61.728 1.00 0.21 H new ATOM 0 HZ3 LYS A 1 50.337 40.952 62.909 1.00 0.21 H new ATOM 23 N GLN A 2 44.011 45.694 60.990 1.00 55.23 N ATOM 24 CA GLN A 2 43.265 46.947 60.984 1.00 21.25 C ATOM 25 C GLN A 2 42.387 47.063 62.225 1.00 0.35 C ATOM 26 O GLN A 2 42.026 46.059 62.838 1.00 2.43 O ATOM 27 CB GLN A 2 42.402 47.044 59.724 1.00 22.43 C ATOM 28 CG GLN A 2 41.430 45.886 59.562 1.00 20.42 C ATOM 29 CD GLN A 2 42.027 44.725 58.792 1.00 45.32 C ATOM 30 OE1 GLN A 2 42.144 44.771 57.567 1.00 0.43 O ATOM 31 NE2 GLN A 2 42.412 43.675 59.509 1.00 75.21 N ATOM 0 H GLN A 2 43.549 44.930 61.483 1.00 55.23 H new ATOM 0 HA GLN A 2 43.982 47.768 60.990 1.00 21.25 H new ATOM 0 HB2 GLN A 2 41.841 47.978 59.749 1.00 22.43 H new ATOM 0 HB3 GLN A 2 43.053 47.086 58.850 1.00 22.43 H new ATOM 0 HG2 GLN A 2 41.116 45.540 60.547 1.00 20.42 H new ATOM 0 HG3 GLN A 2 40.536 46.237 59.047 1.00 20.42 H new ATOM 0 HE21 GLN A 2 42.296 43.679 60.522 1.00 75.21 H new ATOM 0 HE22 GLN A 2 42.823 42.864 59.046 1.00 75.21 H new ATOM 40 N GLN A 3 42.047 48.295 62.591 1.00 24.21 N ATOM 41 CA GLN A 3 41.211 48.542 63.760 1.00 5.31 C ATOM 42 C GLN A 3 39.933 49.278 63.371 1.00 45.14 C ATOM 43 O GLN A 3 39.979 50.415 62.899 1.00 34.01 O ATOM 44 CB GLN A 3 41.984 49.353 64.802 1.00 25.01 C ATOM 45 CG GLN A 3 41.188 49.633 66.067 1.00 60.32 C ATOM 46 CD GLN A 3 42.073 49.849 67.277 1.00 42.54 C ATOM 47 OE1 GLN A 3 42.321 48.924 68.052 1.00 42.22 O ATOM 48 NE2 GLN A 3 42.557 51.074 67.449 1.00 33.14 N ATOM 0 H GLN A 3 42.338 49.137 62.095 1.00 24.21 H new ATOM 0 HA GLN A 3 40.936 47.579 64.189 1.00 5.31 H new ATOM 0 HB2 GLN A 3 42.894 48.815 65.067 1.00 25.01 H new ATOM 0 HB3 GLN A 3 42.291 50.300 64.359 1.00 25.01 H new ATOM 0 HG2 GLN A 3 40.567 50.516 65.913 1.00 60.32 H new ATOM 0 HG3 GLN A 3 40.513 48.799 66.259 1.00 60.32 H new ATOM 0 HE21 GLN A 3 42.327 51.811 66.783 1.00 33.14 H new ATOM 0 HE22 GLN A 3 43.159 51.277 68.247 1.00 33.14 H new ATOM 57 N LEU A 4 38.796 48.622 63.571 1.00 15.05 N ATOM 58 CA LEU A 4 37.504 49.214 63.241 1.00 21.42 C ATOM 59 C LEU A 4 36.445 48.814 64.262 1.00 30.14 C ATOM 60 O LEU A 4 36.060 47.648 64.346 1.00 33.45 O ATOM 61 CB LEU A 4 37.066 48.784 61.839 1.00 61.23 C ATOM 62 CG LEU A 4 38.020 49.141 60.699 1.00 64.31 C ATOM 63 CD1 LEU A 4 38.275 47.929 59.816 1.00 54.33 C ATOM 64 CD2 LEU A 4 37.461 50.294 59.877 1.00 11.14 C ATOM 0 H LEU A 4 38.742 47.681 63.960 1.00 15.05 H new ATOM 0 HA LEU A 4 37.613 50.298 63.264 1.00 21.42 H new ATOM 0 HB2 LEU A 4 36.922 47.704 61.841 1.00 61.23 H new ATOM 0 HB3 LEU A 4 36.096 49.235 61.629 1.00 61.23 H new ATOM 0 HG LEU A 4 38.970 49.456 61.131 1.00 64.31 H new ATOM 0 HD11 LEU A 4 38.956 48.203 59.010 1.00 54.33 H new ATOM 0 HD12 LEU A 4 38.719 47.132 60.412 1.00 54.33 H new ATOM 0 HD13 LEU A 4 37.332 47.583 59.392 1.00 54.33 H new ATOM 0 HD21 LEU A 4 38.153 50.535 59.070 1.00 11.14 H new ATOM 0 HD22 LEU A 4 36.498 50.007 59.455 1.00 11.14 H new ATOM 0 HD23 LEU A 4 37.331 51.167 60.516 1.00 11.14 H new ATOM 76 N GLN A 5 35.976 49.789 65.035 1.00 43.33 N ATOM 77 CA GLN A 5 34.960 49.537 66.050 1.00 61.13 C ATOM 78 C GLN A 5 34.134 50.791 66.314 1.00 34.12 C ATOM 79 O GLN A 5 34.680 51.868 66.548 1.00 52.35 O ATOM 80 CB GLN A 5 35.612 49.059 67.348 1.00 4.32 C ATOM 81 CG GLN A 5 36.457 50.121 68.033 1.00 35.41 C ATOM 82 CD GLN A 5 37.829 49.613 68.424 1.00 62.14 C ATOM 83 OE1 GLN A 5 37.985 48.927 69.434 1.00 40.14 O ATOM 84 NE2 GLN A 5 38.835 49.949 67.624 1.00 44.53 N ATOM 0 H GLN A 5 36.283 50.760 64.978 1.00 43.33 H new ATOM 0 HA GLN A 5 34.296 48.757 65.678 1.00 61.13 H new ATOM 0 HB2 GLN A 5 34.833 48.728 68.035 1.00 4.32 H new ATOM 0 HB3 GLN A 5 36.237 48.192 67.133 1.00 4.32 H new ATOM 0 HG2 GLN A 5 36.567 50.977 67.367 1.00 35.41 H new ATOM 0 HG3 GLN A 5 35.937 50.474 68.924 1.00 35.41 H new ATOM 0 HE21 GLN A 5 38.660 50.519 66.797 1.00 44.53 H new ATOM 0 HE22 GLN A 5 39.782 49.636 67.837 1.00 44.53 H new ATOM 93 N GLU A 6 32.813 50.643 66.275 1.00 51.21 N ATOM 94 CA GLU A 6 31.911 51.765 66.511 1.00 25.22 C ATOM 95 C GLU A 6 30.553 51.277 67.006 1.00 21.13 C ATOM 96 O GLU A 6 29.847 50.553 66.303 1.00 15.52 O ATOM 97 CB GLU A 6 31.735 52.583 65.230 1.00 5.12 C ATOM 98 CG GLU A 6 31.553 51.732 63.983 1.00 43.54 C ATOM 99 CD GLU A 6 30.858 52.480 62.862 1.00 2.41 C ATOM 100 OE1 GLU A 6 29.973 53.307 63.162 1.00 15.15 O ATOM 101 OE2 GLU A 6 31.199 52.237 61.686 1.00 10.42 O ATOM 0 H GLU A 6 32.344 49.758 66.082 1.00 51.21 H new ATOM 0 HA GLU A 6 32.353 52.398 67.281 1.00 25.22 H new ATOM 0 HB2 GLU A 6 30.870 53.237 65.343 1.00 5.12 H new ATOM 0 HB3 GLU A 6 32.605 53.226 65.097 1.00 5.12 H new ATOM 0 HG2 GLU A 6 32.528 51.389 63.636 1.00 43.54 H new ATOM 0 HG3 GLU A 6 30.974 50.844 64.235 1.00 43.54 H new ATOM 108 N HIS A 7 30.195 51.676 68.222 1.00 74.30 N ATOM 109 CA HIS A 7 28.922 51.281 68.813 1.00 11.34 C ATOM 110 C HIS A 7 28.446 52.320 69.824 1.00 11.53 C ATOM 111 O HIS A 7 29.219 53.168 70.266 1.00 55.22 O ATOM 112 CB HIS A 7 29.051 49.916 69.489 1.00 45.11 C ATOM 113 CG HIS A 7 30.186 49.835 70.463 1.00 61.32 C ATOM 114 ND1 HIS A 7 30.198 50.515 71.663 1.00 41.45 N ATOM 115 CD2 HIS A 7 31.351 49.148 70.410 1.00 74.24 C ATOM 116 CE1 HIS A 7 31.322 50.251 72.305 1.00 62.53 C ATOM 117 NE2 HIS A 7 32.039 49.424 71.566 1.00 5.42 N ATOM 0 H HIS A 7 30.769 52.273 68.818 1.00 74.30 H new ATOM 0 HA HIS A 7 28.184 51.214 68.014 1.00 11.34 H new ATOM 0 HB2 HIS A 7 28.120 49.688 70.008 1.00 45.11 H new ATOM 0 HB3 HIS A 7 29.185 49.152 68.723 1.00 45.11 H new ATOM 0 HD2 HIS A 7 31.678 48.503 69.608 1.00 74.24 H new ATOM 0 HE1 HIS A 7 31.606 50.644 73.270 1.00 62.53 H new ATOM 0 HE2 HIS A 7 32.955 49.051 71.814 1.00 5.42 H new ATOM 125 N ALA A 8 27.168 52.245 70.186 1.00 64.14 N ATOM 126 CA ALA A 8 26.590 53.177 71.145 1.00 52.22 C ATOM 127 C ALA A 8 26.937 52.778 72.575 1.00 14.20 C ATOM 128 O ALA A 8 26.949 51.599 72.931 1.00 72.31 O ATOM 129 CB ALA A 8 25.081 53.250 70.966 1.00 75.34 C ATOM 0 H ALA A 8 26.515 51.548 69.829 1.00 64.14 H new ATOM 0 HA ALA A 8 27.015 54.163 70.958 1.00 52.22 H new ATOM 0 HB1 ALA A 8 24.662 53.950 71.689 1.00 75.34 H new ATOM 0 HB2 ALA A 8 24.850 53.590 69.956 1.00 75.34 H new ATOM 0 HB3 ALA A 8 24.648 52.262 71.124 1.00 75.34 H new ATOM 135 N PRO A 9 27.225 53.782 73.417 1.00 43.23 N ATOM 136 CA PRO A 9 27.578 53.559 74.823 1.00 34.20 C ATOM 137 C PRO A 9 26.390 53.078 75.648 1.00 11.40 C ATOM 138 O PRO A 9 26.526 52.190 76.491 1.00 31.24 O ATOM 139 CB PRO A 9 28.034 54.941 75.297 1.00 21.02 C ATOM 140 CG PRO A 9 27.339 55.901 74.394 1.00 13.24 C ATOM 141 CD PRO A 9 27.230 55.210 73.063 1.00 62.52 C ATOM 0 HA PRO A 9 28.335 52.783 74.936 1.00 34.20 H new ATOM 0 HB2 PRO A 9 27.763 55.111 76.339 1.00 21.02 H new ATOM 0 HB3 PRO A 9 29.117 55.046 75.228 1.00 21.02 H new ATOM 0 HG2 PRO A 9 26.354 56.159 74.782 1.00 13.24 H new ATOM 0 HG3 PRO A 9 27.900 56.831 74.306 1.00 13.24 H new ATOM 0 HD2 PRO A 9 26.320 55.496 72.536 1.00 62.52 H new ATOM 0 HD3 PRO A 9 28.068 55.459 72.412 1.00 62.52 H new ATOM 149 N SER A 10 25.225 53.669 75.402 1.00 31.24 N ATOM 150 CA SER A 10 24.013 53.302 76.126 1.00 41.34 C ATOM 151 C SER A 10 22.770 53.640 75.310 1.00 24.14 C ATOM 152 O SER A 10 22.805 54.501 74.430 1.00 1.22 O ATOM 153 CB SER A 10 23.963 54.022 77.475 1.00 35.14 C ATOM 154 OG SER A 10 24.294 53.142 78.535 1.00 42.24 O ATOM 0 H SER A 10 25.095 54.404 74.707 1.00 31.24 H new ATOM 0 HA SER A 10 24.032 52.226 76.297 1.00 41.34 H new ATOM 0 HB2 SER A 10 24.655 54.864 77.467 1.00 35.14 H new ATOM 0 HB3 SER A 10 22.966 54.431 77.636 1.00 35.14 H new ATOM 0 HG SER A 10 25.053 52.582 78.270 1.00 42.24 H new ATOM 160 N HIS A 11 21.670 52.955 75.607 1.00 30.14 N ATOM 161 CA HIS A 11 20.413 53.182 74.902 1.00 3.32 C ATOM 162 C HIS A 11 19.499 54.103 75.704 1.00 25.23 C ATOM 163 O HIS A 11 19.689 54.290 76.905 1.00 71.12 O ATOM 164 CB HIS A 11 19.708 51.852 74.632 1.00 43.44 C ATOM 165 CG HIS A 11 18.911 51.350 75.796 1.00 34.25 C ATOM 166 ND1 HIS A 11 17.534 51.423 75.851 1.00 53.40 N ATOM 167 CD2 HIS A 11 19.302 50.765 76.951 1.00 53.32 C ATOM 168 CE1 HIS A 11 17.114 50.905 76.992 1.00 74.14 C ATOM 169 NE2 HIS A 11 18.167 50.498 77.678 1.00 70.15 N ATOM 0 H HIS A 11 21.624 52.238 76.331 1.00 30.14 H new ATOM 0 HA HIS A 11 20.640 53.664 73.951 1.00 3.32 H new ATOM 0 HB2 HIS A 11 19.047 51.968 73.773 1.00 43.44 H new ATOM 0 HB3 HIS A 11 20.453 51.103 74.362 1.00 43.44 H new ATOM 0 HD1 HIS A 11 16.934 51.815 75.125 1.00 53.40 H new ATOM 0 HD2 HIS A 11 20.318 50.548 77.247 1.00 53.32 H new ATOM 0 HE1 HIS A 11 16.085 50.828 77.310 1.00 74.14 H new ATOM 177 N ALA A 12 18.506 54.674 75.030 1.00 55.32 N ATOM 178 CA ALA A 12 17.561 55.575 75.681 1.00 62.22 C ATOM 179 C ALA A 12 16.122 55.144 75.418 1.00 64.13 C ATOM 180 O ALA A 12 15.864 54.305 74.557 1.00 24.42 O ATOM 181 CB ALA A 12 17.781 57.004 75.206 1.00 45.04 C ATOM 0 H ALA A 12 18.335 54.529 74.035 1.00 55.32 H new ATOM 0 HA ALA A 12 17.736 55.530 76.756 1.00 62.22 H new ATOM 0 HB1 ALA A 12 17.069 57.665 75.700 1.00 45.04 H new ATOM 0 HB2 ALA A 12 18.796 57.316 75.450 1.00 45.04 H new ATOM 0 HB3 ALA A 12 17.635 57.055 74.127 1.00 45.04 H new ATOM 187 N ASN A 13 15.190 55.723 76.167 1.00 31.44 N ATOM 188 CA ASN A 13 13.776 55.397 76.015 1.00 74.14 C ATOM 189 C ASN A 13 13.329 55.578 74.567 1.00 11.30 C ATOM 190 O ASN A 13 12.621 54.734 74.015 1.00 52.42 O ATOM 191 CB ASN A 13 12.928 56.275 76.936 1.00 53.01 C ATOM 192 CG ASN A 13 13.040 55.865 78.392 1.00 63.13 C ATOM 193 OD1 ASN A 13 12.160 55.194 78.929 1.00 50.34 O ATOM 194 ND2 ASN A 13 14.129 56.270 79.038 1.00 23.14 N ATOM 0 H ASN A 13 15.388 56.420 76.885 1.00 31.44 H new ATOM 0 HA ASN A 13 13.637 54.352 76.291 1.00 74.14 H new ATOM 0 HB2 ASN A 13 13.239 57.314 76.829 1.00 53.01 H new ATOM 0 HB3 ASN A 13 11.885 56.221 76.626 1.00 53.01 H new ATOM 0 HD21 ASN A 13 14.260 56.025 80.020 1.00 23.14 H new ATOM 0 HD22 ASN A 13 14.833 56.825 78.552 1.00 23.14 H new ATOM 201 N LEU A 14 13.747 56.682 73.959 1.00 23.43 N ATOM 202 CA LEU A 14 13.389 56.973 72.574 1.00 43.43 C ATOM 203 C LEU A 14 13.660 55.770 71.677 1.00 51.13 C ATOM 204 O LEU A 14 12.779 55.317 70.946 1.00 52.45 O ATOM 205 CB LEU A 14 14.173 58.187 72.070 1.00 21.34 C ATOM 206 CG LEU A 14 13.341 59.412 71.690 1.00 13.23 C ATOM 207 CD1 LEU A 14 12.388 59.078 70.553 1.00 23.41 C ATOM 208 CD2 LEU A 14 12.573 59.930 72.897 1.00 72.43 C ATOM 0 H LEU A 14 14.333 57.390 74.401 1.00 23.43 H new ATOM 0 HA LEU A 14 12.323 57.195 72.538 1.00 43.43 H new ATOM 0 HB2 LEU A 14 14.884 58.481 72.842 1.00 21.34 H new ATOM 0 HB3 LEU A 14 14.754 57.883 71.200 1.00 21.34 H new ATOM 0 HG LEU A 14 14.018 60.196 71.351 1.00 13.23 H new ATOM 0 HD11 LEU A 14 11.804 59.962 70.296 1.00 23.41 H new ATOM 0 HD12 LEU A 14 12.959 58.755 69.683 1.00 23.41 H new ATOM 0 HD13 LEU A 14 11.717 58.278 70.864 1.00 23.41 H new ATOM 0 HD21 LEU A 14 11.986 60.802 72.608 1.00 72.43 H new ATOM 0 HD22 LEU A 14 11.907 59.150 73.266 1.00 72.43 H new ATOM 0 HD23 LEU A 14 13.275 60.209 73.683 1.00 72.43 H new ATOM 220 N ASP A 15 14.884 55.256 71.739 1.00 34.32 N ATOM 221 CA ASP A 15 15.270 54.103 70.935 1.00 21.02 C ATOM 222 C ASP A 15 14.927 52.800 71.652 1.00 62.43 C ATOM 223 O ASP A 15 15.435 52.525 72.739 1.00 61.35 O ATOM 224 CB ASP A 15 16.767 54.149 70.623 1.00 13.33 C ATOM 225 CG ASP A 15 17.065 54.843 69.309 1.00 34.53 C ATOM 226 OD1 ASP A 15 16.640 56.006 69.144 1.00 52.25 O ATOM 227 OD2 ASP A 15 17.719 54.224 68.445 1.00 64.13 O ATOM 0 H ASP A 15 15.625 55.620 72.338 1.00 34.32 H new ATOM 0 HA ASP A 15 14.711 54.140 70.000 1.00 21.02 H new ATOM 0 HB2 ASP A 15 17.287 54.666 71.429 1.00 13.33 H new ATOM 0 HB3 ASP A 15 17.159 53.133 70.591 1.00 13.33 H new ATOM 232 N VAL A 16 14.060 52.002 71.036 1.00 60.35 N ATOM 233 CA VAL A 16 13.649 50.729 71.615 1.00 22.01 C ATOM 234 C VAL A 16 13.705 49.611 70.581 1.00 31.42 C ATOM 235 O VAL A 16 13.177 49.745 69.476 1.00 22.02 O ATOM 236 CB VAL A 16 12.223 50.810 72.192 1.00 4.02 C ATOM 237 CG1 VAL A 16 12.148 51.865 73.285 1.00 10.33 C ATOM 238 CG2 VAL A 16 11.218 51.101 71.088 1.00 3.05 C ATOM 0 H VAL A 16 13.629 52.215 70.136 1.00 60.35 H new ATOM 0 HA VAL A 16 14.348 50.508 72.422 1.00 22.01 H new ATOM 0 HB VAL A 16 11.973 49.846 72.634 1.00 4.02 H new ATOM 0 HG11 VAL A 16 11.133 51.908 73.680 1.00 10.33 H new ATOM 0 HG12 VAL A 16 12.840 51.608 74.087 1.00 10.33 H new ATOM 0 HG13 VAL A 16 12.417 52.837 72.872 1.00 10.33 H new ATOM 0 HG21 VAL A 16 10.216 51.155 71.513 1.00 3.05 H new ATOM 0 HG22 VAL A 16 11.463 52.052 70.614 1.00 3.05 H new ATOM 0 HG23 VAL A 16 11.254 50.305 70.344 1.00 3.05 H new ATOM 248 N LYS A 17 14.348 48.506 70.945 1.00 72.41 N ATOM 249 CA LYS A 17 14.472 47.362 70.050 1.00 71.32 C ATOM 250 C LYS A 17 13.109 46.945 69.508 1.00 33.30 C ATOM 251 O LYS A 17 12.084 47.522 69.869 1.00 55.11 O ATOM 252 CB LYS A 17 15.125 46.186 70.779 1.00 71.42 C ATOM 253 CG LYS A 17 14.563 45.945 72.170 1.00 34.54 C ATOM 254 CD LYS A 17 15.661 45.602 73.163 1.00 34.25 C ATOM 255 CE LYS A 17 16.081 44.145 73.045 1.00 50.51 C ATOM 256 NZ LYS A 17 17.277 43.981 72.173 1.00 22.11 N ATOM 0 H LYS A 17 14.792 48.379 71.855 1.00 72.41 H new ATOM 0 HA LYS A 17 15.102 47.656 69.211 1.00 71.32 H new ATOM 0 HB2 LYS A 17 14.996 45.283 70.183 1.00 71.42 H new ATOM 0 HB3 LYS A 17 16.197 46.367 70.856 1.00 71.42 H new ATOM 0 HG2 LYS A 17 14.031 46.834 72.508 1.00 34.54 H new ATOM 0 HG3 LYS A 17 13.837 45.133 72.134 1.00 34.54 H new ATOM 0 HD2 LYS A 17 16.523 46.246 72.991 1.00 34.25 H new ATOM 0 HD3 LYS A 17 15.312 45.801 74.176 1.00 34.25 H new ATOM 0 HE2 LYS A 17 16.298 43.748 74.037 1.00 50.51 H new ATOM 0 HE3 LYS A 17 15.254 43.560 72.641 1.00 50.51 H new ATOM 0 HZ1 LYS A 17 17.531 42.974 72.118 1.00 22.11 H new ATOM 0 HZ2 LYS A 17 17.063 44.336 71.219 1.00 22.11 H new ATOM 0 HZ3 LYS A 17 18.073 44.518 72.572 1.00 22.11 H new ATOM 270 N TRP A 18 13.104 45.939 68.640 1.00 43.43 N ATOM 271 CA TRP A 18 11.866 45.444 68.051 1.00 65.25 C ATOM 272 C TRP A 18 10.940 44.881 69.122 1.00 61.03 C ATOM 273 O TRP A 18 11.285 44.857 70.305 1.00 32.24 O ATOM 274 CB TRP A 18 12.170 44.369 67.005 1.00 34.25 C ATOM 275 CG TRP A 18 13.409 44.647 66.210 1.00 74.35 C ATOM 276 CD1 TRP A 18 13.819 45.858 65.729 1.00 60.13 C ATOM 277 CD2 TRP A 18 14.397 43.695 65.801 1.00 23.14 C ATOM 278 NE1 TRP A 18 15.003 45.715 65.046 1.00 61.32 N ATOM 279 CE2 TRP A 18 15.379 44.399 65.077 1.00 22.15 C ATOM 280 CE3 TRP A 18 14.548 42.317 65.979 1.00 63.21 C ATOM 281 CZ2 TRP A 18 16.494 43.768 64.531 1.00 64.23 C ATOM 282 CZ3 TRP A 18 15.656 41.694 65.436 1.00 2.10 C ATOM 283 CH2 TRP A 18 16.617 42.418 64.719 1.00 72.03 C ATOM 0 H TRP A 18 13.944 45.451 68.329 1.00 43.43 H new ATOM 0 HA TRP A 18 11.363 46.281 67.567 1.00 65.25 H new ATOM 0 HB2 TRP A 18 12.276 43.406 67.505 1.00 34.25 H new ATOM 0 HB3 TRP A 18 11.322 44.284 66.325 1.00 34.25 H new ATOM 0 HD1 TRP A 18 13.291 46.790 65.865 1.00 60.13 H new ATOM 0 HE1 TRP A 18 15.518 46.468 64.590 1.00 61.32 H new ATOM 0 HE3 TRP A 18 13.813 41.750 66.530 1.00 63.21 H new ATOM 0 HZ2 TRP A 18 17.236 44.325 63.978 1.00 64.23 H new ATOM 0 HZ3 TRP A 18 15.783 40.630 65.567 1.00 2.10 H new ATOM 0 HH2 TRP A 18 17.471 41.901 64.307 1.00 72.03 H new ATOM 294 N LEU A 19 9.764 44.428 68.703 1.00 13.44 N ATOM 295 CA LEU A 19 8.786 43.864 69.629 1.00 63.43 C ATOM 296 C LEU A 19 9.215 42.475 70.092 1.00 14.34 C ATOM 297 O LEU A 19 8.489 41.803 70.825 1.00 32.33 O ATOM 298 CB LEU A 19 7.410 43.791 68.965 1.00 42.13 C ATOM 299 CG LEU A 19 6.450 44.937 69.286 1.00 25.14 C ATOM 300 CD1 LEU A 19 5.244 44.897 68.358 1.00 43.34 C ATOM 301 CD2 LEU A 19 6.009 44.873 70.740 1.00 15.43 C ATOM 0 H LEU A 19 9.464 44.440 67.728 1.00 13.44 H new ATOM 0 HA LEU A 19 8.727 44.516 70.501 1.00 63.43 H new ATOM 0 HB2 LEU A 19 7.551 43.753 67.885 1.00 42.13 H new ATOM 0 HB3 LEU A 19 6.936 42.854 69.258 1.00 42.13 H new ATOM 0 HG LEU A 19 6.974 45.880 69.129 1.00 25.14 H new ATOM 0 HD11 LEU A 19 4.571 45.720 68.600 1.00 43.34 H new ATOM 0 HD12 LEU A 19 5.577 44.993 67.324 1.00 43.34 H new ATOM 0 HD13 LEU A 19 4.719 43.950 68.484 1.00 43.34 H new ATOM 0 HD21 LEU A 19 5.326 45.696 70.950 1.00 15.43 H new ATOM 0 HD22 LEU A 19 5.503 43.926 70.925 1.00 15.43 H new ATOM 0 HD23 LEU A 19 6.882 44.951 71.389 1.00 15.43 H new ATOM 313 N ASP A 20 10.399 42.052 69.663 1.00 30.31 N ATOM 314 CA ASP A 20 10.925 40.745 70.036 1.00 41.33 C ATOM 315 C ASP A 20 11.558 40.790 71.424 1.00 71.03 C ATOM 316 O ASP A 20 12.672 41.284 71.593 1.00 72.14 O ATOM 317 CB ASP A 20 11.954 40.273 69.008 1.00 23.12 C ATOM 318 CG ASP A 20 11.699 38.852 68.545 1.00 24.14 C ATOM 319 OD1 ASP A 20 11.392 37.995 69.399 1.00 15.44 O ATOM 320 OD2 ASP A 20 11.807 38.597 67.326 1.00 13.41 O ATOM 0 H ASP A 20 11.013 42.596 69.056 1.00 30.31 H new ATOM 0 HA ASP A 20 10.095 40.039 70.057 1.00 41.33 H new ATOM 0 HB2 ASP A 20 11.936 40.941 68.147 1.00 23.12 H new ATOM 0 HB3 ASP A 20 12.952 40.337 69.441 1.00 23.12 H new ATOM 325 N GLY A 21 10.839 40.272 72.415 1.00 75.11 N ATOM 326 CA GLY A 21 11.346 40.266 73.774 1.00 1.34 C ATOM 327 C GLY A 21 12.218 41.469 74.075 1.00 23.13 C ATOM 328 O GLY A 21 13.432 41.431 73.867 1.00 74.33 O ATOM 0 H GLY A 21 9.915 39.856 72.301 1.00 75.11 H new ATOM 0 HA2 GLY A 21 10.508 40.246 74.471 1.00 1.34 H new ATOM 0 HA3 GLY A 21 11.920 39.355 73.940 1.00 1.34 H new ATOM 332 N LEU A 22 11.600 42.538 74.561 1.00 74.04 N ATOM 333 CA LEU A 22 12.329 43.760 74.889 1.00 1.43 C ATOM 334 C LEU A 22 13.048 43.622 76.226 1.00 52.32 C ATOM 335 O LEU A 22 12.831 42.660 76.964 1.00 52.21 O ATOM 336 CB LEU A 22 11.371 44.952 74.932 1.00 42.34 C ATOM 337 CG LEU A 22 11.932 46.282 74.426 1.00 12.44 C ATOM 338 CD1 LEU A 22 10.992 46.903 73.406 1.00 20.53 C ATOM 339 CD2 LEU A 22 12.168 47.236 75.588 1.00 61.53 C ATOM 0 H LEU A 22 10.596 42.585 74.737 1.00 74.04 H new ATOM 0 HA LEU A 22 13.075 43.929 74.112 1.00 1.43 H new ATOM 0 HB2 LEU A 22 10.488 44.705 74.342 1.00 42.34 H new ATOM 0 HB3 LEU A 22 11.039 45.089 75.961 1.00 42.34 H new ATOM 0 HG LEU A 22 12.888 46.091 73.939 1.00 12.44 H new ATOM 0 HD11 LEU A 22 11.407 47.848 73.057 1.00 20.53 H new ATOM 0 HD12 LEU A 22 10.873 46.225 72.561 1.00 20.53 H new ATOM 0 HD13 LEU A 22 10.021 47.082 73.868 1.00 20.53 H new ATOM 0 HD21 LEU A 22 12.567 48.177 75.211 1.00 61.53 H new ATOM 0 HD22 LEU A 22 11.226 47.422 76.103 1.00 61.53 H new ATOM 0 HD23 LEU A 22 12.880 46.793 76.284 1.00 61.53 H new ATOM 351 N ARG A 23 13.904 44.591 76.534 1.00 50.52 N ATOM 352 CA ARG A 23 14.656 44.578 77.784 1.00 12.13 C ATOM 353 C ARG A 23 14.978 45.999 78.238 1.00 45.53 C ATOM 354 O ARG A 23 14.765 46.961 77.501 1.00 5.34 O ATOM 355 CB ARG A 23 15.948 43.777 77.619 1.00 41.15 C ATOM 356 CG ARG A 23 16.018 42.544 78.505 1.00 24.23 C ATOM 357 CD ARG A 23 17.000 42.734 79.650 1.00 75.11 C ATOM 358 NE ARG A 23 16.353 42.604 80.953 1.00 23.04 N ATOM 359 CZ ARG A 23 17.005 42.297 82.069 1.00 41.24 C ATOM 360 NH1 ARG A 23 18.314 42.092 82.041 1.00 40.44 N ATOM 361 NH2 ARG A 23 16.347 42.196 83.217 1.00 11.04 N ATOM 0 H ARG A 23 14.094 45.395 75.936 1.00 50.52 H new ATOM 0 HA ARG A 23 14.039 44.103 78.546 1.00 12.13 H new ATOM 0 HB2 ARG A 23 16.045 43.471 76.577 1.00 41.15 H new ATOM 0 HB3 ARG A 23 16.797 44.423 77.842 1.00 41.15 H new ATOM 0 HG2 ARG A 23 15.028 42.326 78.906 1.00 24.23 H new ATOM 0 HG3 ARG A 23 16.316 41.682 77.908 1.00 24.23 H new ATOM 0 HD2 ARG A 23 17.800 41.998 79.567 1.00 75.11 H new ATOM 0 HD3 ARG A 23 17.463 43.718 79.571 1.00 75.11 H new ATOM 0 HE ARG A 23 15.346 42.757 81.009 1.00 23.04 H new ATOM 0 HH11 ARG A 23 18.824 42.170 81.161 1.00 40.44 H new ATOM 0 HH12 ARG A 23 18.812 41.856 82.900 1.00 40.44 H new ATOM 0 HH21 ARG A 23 15.340 42.354 83.243 1.00 11.04 H new ATOM 0 HH22 ARG A 23 16.849 41.960 84.073 1.00 11.04 H new ATOM 375 N ALA A 24 15.496 46.122 79.456 1.00 31.14 N ATOM 376 CA ALA A 24 15.851 47.424 80.007 1.00 14.43 C ATOM 377 C ALA A 24 14.608 48.273 80.253 1.00 30.24 C ATOM 378 O ALA A 24 14.610 49.478 80.007 1.00 33.20 O ATOM 379 CB ALA A 24 16.812 48.147 79.077 1.00 23.11 C ATOM 0 H ALA A 24 15.679 45.336 80.080 1.00 31.14 H new ATOM 0 HA ALA A 24 16.344 47.263 80.966 1.00 14.43 H new ATOM 0 HB1 ALA A 24 17.068 49.118 79.502 1.00 23.11 H new ATOM 0 HB2 ALA A 24 17.718 47.553 78.957 1.00 23.11 H new ATOM 0 HB3 ALA A 24 16.340 48.289 78.105 1.00 23.11 H new ATOM 385 N GLY A 25 13.547 47.635 80.737 1.00 34.14 N ATOM 386 CA GLY A 25 12.312 48.348 81.006 1.00 74.33 C ATOM 387 C GLY A 25 11.137 47.787 80.228 1.00 13.20 C ATOM 388 O GLY A 25 10.959 46.572 80.152 1.00 3.24 O ATOM 0 H GLY A 25 13.521 46.637 80.948 1.00 34.14 H new ATOM 0 HA2 GLY A 25 12.093 48.300 82.073 1.00 74.33 H new ATOM 0 HA3 GLY A 25 12.441 49.401 80.754 1.00 74.33 H new ATOM 392 N SER A 26 10.333 48.674 79.652 1.00 54.13 N ATOM 393 CA SER A 26 9.166 48.262 78.882 1.00 1.25 C ATOM 394 C SER A 26 8.267 47.344 79.706 1.00 50.03 C ATOM 395 O SER A 26 7.636 46.432 79.173 1.00 75.50 O ATOM 396 CB SER A 26 9.601 47.549 77.599 1.00 15.22 C ATOM 397 OG SER A 26 8.840 47.989 76.489 1.00 31.21 O ATOM 0 H SER A 26 10.469 49.684 79.704 1.00 54.13 H new ATOM 0 HA SER A 26 8.601 49.156 78.620 1.00 1.25 H new ATOM 0 HB2 SER A 26 10.659 47.736 77.416 1.00 15.22 H new ATOM 0 HB3 SER A 26 9.484 46.472 77.720 1.00 15.22 H new ATOM 0 HG SER A 26 7.897 47.763 76.629 1.00 31.21 H new ATOM 403 N MET A 27 8.216 47.593 81.011 1.00 54.13 N ATOM 404 CA MET A 27 7.395 46.791 81.910 1.00 11.11 C ATOM 405 C MET A 27 6.013 47.413 82.084 1.00 33.14 C ATOM 406 O MET A 27 5.013 46.704 82.197 1.00 34.41 O ATOM 407 CB MET A 27 8.079 46.651 83.272 1.00 73.42 C ATOM 408 CG MET A 27 8.356 47.982 83.952 1.00 45.42 C ATOM 409 SD MET A 27 9.996 48.628 83.569 1.00 54.23 S ATOM 410 CE MET A 27 9.579 50.239 82.906 1.00 51.11 C ATOM 0 H MET A 27 8.733 48.343 81.469 1.00 54.13 H new ATOM 0 HA MET A 27 7.276 45.802 81.468 1.00 11.11 H new ATOM 0 HB2 MET A 27 7.452 46.043 83.924 1.00 73.42 H new ATOM 0 HB3 MET A 27 9.019 46.115 83.144 1.00 73.42 H new ATOM 0 HG2 MET A 27 7.603 48.707 83.644 1.00 45.42 H new ATOM 0 HG3 MET A 27 8.260 47.862 85.031 1.00 45.42 H new ATOM 0 HE1 MET A 27 10.265 50.986 83.305 1.00 51.11 H new ATOM 0 HE2 MET A 27 9.659 50.217 81.819 1.00 51.11 H new ATOM 0 HE3 MET A 27 8.558 50.496 83.189 1.00 51.11 H new ATOM 420 N ALA A 28 5.965 48.741 82.105 1.00 20.22 N ATOM 421 CA ALA A 28 4.705 49.457 82.262 1.00 55.53 C ATOM 422 C ALA A 28 4.160 49.914 80.914 1.00 23.00 C ATOM 423 O ALA A 28 3.118 49.439 80.460 1.00 42.43 O ATOM 424 CB ALA A 28 4.889 50.649 83.190 1.00 60.22 C ATOM 0 H ALA A 28 6.784 49.343 82.015 1.00 20.22 H new ATOM 0 HA ALA A 28 3.980 48.773 82.704 1.00 55.53 H new ATOM 0 HB1 ALA A 28 3.941 51.175 83.299 1.00 60.22 H new ATOM 0 HB2 ALA A 28 5.225 50.301 84.167 1.00 60.22 H new ATOM 0 HB3 ALA A 28 5.633 51.326 82.770 1.00 60.22 H new ATOM 430 N LEU A 29 4.870 50.839 80.276 1.00 20.01 N ATOM 431 CA LEU A 29 4.456 51.360 78.978 1.00 65.23 C ATOM 432 C LEU A 29 5.083 50.555 77.843 1.00 33.04 C ATOM 433 O LEU A 29 5.846 49.619 78.082 1.00 73.33 O ATOM 434 CB LEU A 29 4.848 52.834 78.850 1.00 4.14 C ATOM 435 CG LEU A 29 3.732 53.848 79.098 1.00 72.12 C ATOM 436 CD1 LEU A 29 2.685 53.771 77.998 1.00 63.21 C ATOM 437 CD2 LEU A 29 3.095 53.618 80.460 1.00 53.00 C ATOM 0 H LEU A 29 5.734 51.243 80.636 1.00 20.01 H new ATOM 0 HA LEU A 29 3.372 51.271 78.907 1.00 65.23 H new ATOM 0 HB2 LEU A 29 5.658 53.036 79.551 1.00 4.14 H new ATOM 0 HB3 LEU A 29 5.245 52.998 77.848 1.00 4.14 H new ATOM 0 HG LEU A 29 4.167 54.847 79.087 1.00 72.12 H new ATOM 0 HD11 LEU A 29 1.899 54.500 78.192 1.00 63.21 H new ATOM 0 HD12 LEU A 29 3.151 53.987 77.037 1.00 63.21 H new ATOM 0 HD13 LEU A 29 2.254 52.770 77.976 1.00 63.21 H new ATOM 0 HD21 LEU A 29 2.303 54.349 80.619 1.00 53.00 H new ATOM 0 HD22 LEU A 29 2.675 52.613 80.500 1.00 53.00 H new ATOM 0 HD23 LEU A 29 3.851 53.727 81.238 1.00 53.00 H new ATOM 449 N GLN A 30 4.755 50.927 76.610 1.00 32.12 N ATOM 450 CA GLN A 30 5.286 50.241 75.439 1.00 4.31 C ATOM 451 C GLN A 30 5.828 51.239 74.422 1.00 65.22 C ATOM 452 O GLN A 30 5.065 51.938 73.756 1.00 15.40 O ATOM 453 CB GLN A 30 4.203 49.373 74.794 1.00 75.45 C ATOM 454 CG GLN A 30 4.274 47.910 75.199 1.00 64.12 C ATOM 455 CD GLN A 30 2.931 47.213 75.104 1.00 54.52 C ATOM 456 OE1 GLN A 30 2.146 47.222 76.053 1.00 52.41 O ATOM 457 NE2 GLN A 30 2.659 46.604 73.956 1.00 61.13 N ATOM 0 H GLN A 30 4.124 51.700 76.396 1.00 32.12 H new ATOM 0 HA GLN A 30 6.106 49.602 75.765 1.00 4.31 H new ATOM 0 HB2 GLN A 30 3.224 49.769 75.063 1.00 75.45 H new ATOM 0 HB3 GLN A 30 4.289 49.446 73.710 1.00 75.45 H new ATOM 0 HG2 GLN A 30 4.992 47.395 74.561 1.00 64.12 H new ATOM 0 HG3 GLN A 30 4.645 47.837 76.221 1.00 64.12 H new ATOM 0 HE21 GLN A 30 3.339 46.622 73.196 1.00 61.13 H new ATOM 0 HE22 GLN A 30 1.770 46.118 73.834 1.00 61.13 H new ATOM 466 N GLY A 31 7.151 51.300 74.305 1.00 52.03 N ATOM 467 CA GLY A 31 7.773 52.216 73.367 1.00 35.31 C ATOM 468 C GLY A 31 7.520 51.828 71.924 1.00 5.34 C ATOM 469 O GLY A 31 7.458 52.686 71.045 1.00 74.41 O ATOM 0 H GLY A 31 7.804 50.731 74.844 1.00 52.03 H new ATOM 0 HA2 GLY A 31 7.394 53.223 73.541 1.00 35.31 H new ATOM 0 HA3 GLY A 31 8.847 52.244 73.549 1.00 35.31 H new ATOM 473 N ASP A 32 7.377 50.530 71.679 1.00 3.22 N ATOM 474 CA ASP A 32 7.131 50.029 70.332 1.00 1.10 C ATOM 475 C ASP A 32 5.904 50.696 69.720 1.00 63.44 C ATOM 476 O ASP A 32 5.883 51.006 68.528 1.00 75.02 O ATOM 477 CB ASP A 32 6.943 48.511 70.356 1.00 4.42 C ATOM 478 CG ASP A 32 8.243 47.763 70.139 1.00 43.42 C ATOM 479 OD1 ASP A 32 8.953 47.505 71.135 1.00 61.34 O ATOM 480 OD2 ASP A 32 8.551 47.434 68.975 1.00 4.14 O ATOM 0 H ASP A 32 7.427 49.806 72.396 1.00 3.22 H new ATOM 0 HA ASP A 32 7.998 50.270 69.717 1.00 1.10 H new ATOM 0 HB2 ASP A 32 6.513 48.216 71.313 1.00 4.42 H new ATOM 0 HB3 ASP A 32 6.229 48.224 69.584 1.00 4.42 H new ATOM 485 N VAL A 33 4.883 50.914 70.542 1.00 24.35 N ATOM 486 CA VAL A 33 3.652 51.544 70.081 1.00 54.11 C ATOM 487 C VAL A 33 3.781 53.063 70.074 1.00 60.44 C ATOM 488 O VAL A 33 3.059 53.757 69.358 1.00 23.43 O ATOM 489 CB VAL A 33 2.453 51.148 70.963 1.00 25.13 C ATOM 490 CG1 VAL A 33 1.186 51.839 70.485 1.00 14.31 C ATOM 491 CG2 VAL A 33 2.275 49.637 70.970 1.00 51.30 C ATOM 0 H VAL A 33 4.884 50.664 71.531 1.00 24.35 H new ATOM 0 HA VAL A 33 3.479 51.191 69.064 1.00 54.11 H new ATOM 0 HB VAL A 33 2.652 51.474 71.984 1.00 25.13 H new ATOM 0 HG11 VAL A 33 0.350 51.547 71.121 1.00 14.31 H new ATOM 0 HG12 VAL A 33 1.320 52.920 70.536 1.00 14.31 H new ATOM 0 HG13 VAL A 33 0.978 51.547 69.456 1.00 14.31 H new ATOM 0 HG21 VAL A 33 1.424 49.374 71.598 1.00 51.30 H new ATOM 0 HG22 VAL A 33 2.098 49.287 69.953 1.00 51.30 H new ATOM 0 HG23 VAL A 33 3.176 49.166 71.364 1.00 51.30 H new ATOM 501 N LYS A 34 4.709 53.576 70.875 1.00 40.43 N ATOM 502 CA LYS A 34 4.937 55.014 70.961 1.00 31.21 C ATOM 503 C LYS A 34 5.746 55.509 69.767 1.00 31.11 C ATOM 504 O LYS A 34 5.607 56.656 69.342 1.00 54.32 O ATOM 505 CB LYS A 34 5.665 55.359 72.262 1.00 50.53 C ATOM 506 CG LYS A 34 6.359 56.710 72.231 1.00 2.34 C ATOM 507 CD LYS A 34 7.289 56.886 73.420 1.00 63.41 C ATOM 508 CE LYS A 34 8.688 57.286 72.978 1.00 64.11 C ATOM 509 NZ LYS A 34 9.708 56.283 73.392 1.00 41.10 N ATOM 0 H LYS A 34 5.316 53.017 71.474 1.00 40.43 H new ATOM 0 HA LYS A 34 3.967 55.511 70.952 1.00 31.21 H new ATOM 0 HB2 LYS A 34 4.949 55.347 73.084 1.00 50.53 H new ATOM 0 HB3 LYS A 34 6.404 54.585 72.471 1.00 50.53 H new ATOM 0 HG2 LYS A 34 6.927 56.807 71.306 1.00 2.34 H new ATOM 0 HG3 LYS A 34 5.612 57.504 72.231 1.00 2.34 H new ATOM 0 HD2 LYS A 34 6.886 57.646 74.089 1.00 63.41 H new ATOM 0 HD3 LYS A 34 7.337 55.956 73.987 1.00 63.41 H new ATOM 0 HE2 LYS A 34 8.708 57.398 71.894 1.00 64.11 H new ATOM 0 HE3 LYS A 34 8.940 58.257 73.404 1.00 64.11 H new ATOM 0 HZ1 LYS A 34 10.391 56.144 72.620 1.00 41.10 H new ATOM 0 HZ2 LYS A 34 10.207 56.624 74.238 1.00 41.10 H new ATOM 0 HZ3 LYS A 34 9.239 55.380 73.607 1.00 41.10 H new ATOM 523 N VAL A 35 6.589 54.635 69.226 1.00 61.52 N ATOM 524 CA VAL A 35 7.418 54.983 68.079 1.00 22.40 C ATOM 525 C VAL A 35 6.698 54.684 66.769 1.00 12.12 C ATOM 526 O VAL A 35 7.065 55.200 65.713 1.00 51.22 O ATOM 527 CB VAL A 35 8.757 54.221 68.101 1.00 30.43 C ATOM 528 CG1 VAL A 35 9.440 54.380 69.450 1.00 33.30 C ATOM 529 CG2 VAL A 35 8.537 52.750 67.776 1.00 74.54 C ATOM 0 H VAL A 35 6.715 53.681 69.564 1.00 61.52 H new ATOM 0 HA VAL A 35 7.616 56.053 68.146 1.00 22.40 H new ATOM 0 HB VAL A 35 9.410 54.646 67.338 1.00 30.43 H new ATOM 0 HG11 VAL A 35 10.384 53.835 69.446 1.00 33.30 H new ATOM 0 HG12 VAL A 35 9.632 55.436 69.639 1.00 33.30 H new ATOM 0 HG13 VAL A 35 8.795 53.983 70.234 1.00 33.30 H new ATOM 0 HG21 VAL A 35 9.493 52.226 67.796 1.00 74.54 H new ATOM 0 HG22 VAL A 35 7.867 52.310 68.515 1.00 74.54 H new ATOM 0 HG23 VAL A 35 8.094 52.659 66.784 1.00 74.54 H new ATOM 539 N TRP A 36 5.669 53.847 66.845 1.00 22.32 N ATOM 540 CA TRP A 36 4.895 53.478 65.664 1.00 23.02 C ATOM 541 C TRP A 36 4.646 54.692 64.777 1.00 22.42 C ATOM 542 O TRP A 36 5.006 54.697 63.599 1.00 12.22 O ATOM 543 CB TRP A 36 3.563 52.851 66.078 1.00 44.12 C ATOM 544 CG TRP A 36 2.707 52.454 64.914 1.00 35.51 C ATOM 545 CD1 TRP A 36 2.313 53.251 63.877 1.00 20.23 C ATOM 546 CD2 TRP A 36 2.137 51.164 64.669 1.00 13.34 C ATOM 547 NE1 TRP A 36 1.532 52.534 63.003 1.00 51.04 N ATOM 548 CE2 TRP A 36 1.410 51.251 63.466 1.00 34.12 C ATOM 549 CE3 TRP A 36 2.171 49.943 65.348 1.00 74.24 C ATOM 550 CZ2 TRP A 36 0.723 50.164 62.930 1.00 43.34 C ATOM 551 CZ3 TRP A 36 1.489 48.865 64.816 1.00 51.44 C ATOM 552 CH2 TRP A 36 0.774 48.981 63.617 1.00 61.03 C ATOM 0 H TRP A 36 5.351 53.411 67.711 1.00 22.32 H new ATOM 0 HA TRP A 36 5.471 52.748 65.095 1.00 23.02 H new ATOM 0 HB2 TRP A 36 3.759 51.972 66.693 1.00 44.12 H new ATOM 0 HB3 TRP A 36 3.014 53.559 66.699 1.00 44.12 H new ATOM 0 HD1 TRP A 36 2.577 54.292 63.761 1.00 20.23 H new ATOM 0 HE1 TRP A 36 1.111 52.898 62.148 1.00 51.04 H new ATOM 0 HE3 TRP A 36 2.721 49.844 66.272 1.00 74.24 H new ATOM 0 HZ2 TRP A 36 0.170 50.251 62.006 1.00 43.34 H new ATOM 0 HZ3 TRP A 36 1.508 47.917 65.333 1.00 51.44 H new ATOM 0 HH2 TRP A 36 0.252 48.120 63.227 1.00 61.03 H new ATOM 563 N MET A 37 4.027 55.720 65.347 1.00 51.24 N ATOM 564 CA MET A 37 3.730 56.941 64.607 1.00 44.04 C ATOM 565 C MET A 37 4.948 57.860 64.565 1.00 21.21 C ATOM 566 O MET A 37 5.235 58.477 63.539 1.00 35.24 O ATOM 567 CB MET A 37 2.546 57.673 65.241 1.00 25.54 C ATOM 568 CG MET A 37 2.928 58.524 66.440 1.00 65.02 C ATOM 569 SD MET A 37 3.321 57.536 67.896 1.00 63.21 S ATOM 570 CE MET A 37 1.909 56.435 67.949 1.00 63.43 C ATOM 0 H MET A 37 3.721 55.732 66.320 1.00 51.24 H new ATOM 0 HA MET A 37 3.470 56.663 63.586 1.00 44.04 H new ATOM 0 HB2 MET A 37 2.078 58.309 64.489 1.00 25.54 H new ATOM 0 HB3 MET A 37 1.800 56.941 65.549 1.00 25.54 H new ATOM 0 HG2 MET A 37 3.788 59.142 66.183 1.00 65.02 H new ATOM 0 HG3 MET A 37 2.107 59.201 66.676 1.00 65.02 H new ATOM 0 HE1 MET A 37 1.873 55.936 68.917 1.00 63.43 H new ATOM 0 HE2 MET A 37 0.994 57.009 67.803 1.00 63.43 H new ATOM 0 HE3 MET A 37 1.999 55.689 67.159 1.00 63.43 H new ATOM 580 N GLN A 38 5.658 57.946 65.685 1.00 63.42 N ATOM 581 CA GLN A 38 6.843 58.791 65.774 1.00 24.11 C ATOM 582 C GLN A 38 7.824 58.474 64.649 1.00 32.10 C ATOM 583 O GLN A 38 8.614 59.326 64.245 1.00 44.13 O ATOM 584 CB GLN A 38 7.526 58.605 67.129 1.00 55.44 C ATOM 585 CG GLN A 38 8.854 57.869 67.046 1.00 12.05 C ATOM 586 CD GLN A 38 10.006 58.782 66.675 1.00 51.30 C ATOM 587 OE1 GLN A 38 10.368 59.682 67.434 1.00 22.51 O ATOM 588 NE2 GLN A 38 10.588 58.554 65.503 1.00 54.33 N ATOM 0 H GLN A 38 5.434 57.441 66.543 1.00 63.42 H new ATOM 0 HA GLN A 38 6.527 59.829 65.673 1.00 24.11 H new ATOM 0 HB2 GLN A 38 7.690 59.583 67.581 1.00 55.44 H new ATOM 0 HB3 GLN A 38 6.857 58.056 67.791 1.00 55.44 H new ATOM 0 HG2 GLN A 38 9.064 57.397 68.006 1.00 12.05 H new ATOM 0 HG3 GLN A 38 8.777 57.070 66.308 1.00 12.05 H new ATOM 0 HE21 GLN A 38 10.254 57.797 64.907 1.00 54.33 H new ATOM 0 HE22 GLN A 38 11.369 59.136 65.199 1.00 54.33 H new ATOM 597 N ASN A 39 7.765 57.244 64.149 1.00 73.34 N ATOM 598 CA ASN A 39 8.649 56.816 63.071 1.00 5.21 C ATOM 599 C ASN A 39 8.138 57.306 61.721 1.00 22.40 C ATOM 600 O ASN A 39 8.916 57.739 60.870 1.00 22.24 O ATOM 601 CB ASN A 39 8.771 55.290 63.060 1.00 62.25 C ATOM 602 CG ASN A 39 10.203 54.823 63.231 1.00 53.13 C ATOM 603 OD1 ASN A 39 11.014 54.921 62.310 1.00 45.52 O ATOM 604 ND2 ASN A 39 10.522 54.312 64.416 1.00 34.42 N ATOM 0 H ASN A 39 7.115 56.527 64.472 1.00 73.34 H new ATOM 0 HA ASN A 39 9.633 57.252 63.246 1.00 5.21 H new ATOM 0 HB2 ASN A 39 8.158 54.874 63.859 1.00 62.25 H new ATOM 0 HB3 ASN A 39 8.375 54.903 62.121 1.00 62.25 H new ATOM 0 HD21 ASN A 39 11.471 53.982 64.590 1.00 34.42 H new ATOM 0 HD22 ASN A 39 9.818 54.250 65.151 1.00 34.42 H new ATOM 611 N LEU A 40 6.825 57.235 61.531 1.00 71.42 N ATOM 612 CA LEU A 40 6.209 57.673 60.283 1.00 14.04 C ATOM 613 C LEU A 40 6.022 59.187 60.270 1.00 24.23 C ATOM 614 O LEU A 40 5.838 59.790 59.212 1.00 0.34 O ATOM 615 CB LEU A 40 4.858 56.980 60.088 1.00 64.20 C ATOM 616 CG LEU A 40 4.575 55.793 61.008 1.00 13.14 C ATOM 617 CD1 LEU A 40 3.197 55.215 60.725 1.00 12.50 C ATOM 618 CD2 LEU A 40 5.647 54.724 60.847 1.00 33.11 C ATOM 0 H LEU A 40 6.167 56.879 62.224 1.00 71.42 H new ATOM 0 HA LEU A 40 6.873 57.400 59.463 1.00 14.04 H new ATOM 0 HB2 LEU A 40 4.069 57.719 60.228 1.00 64.20 H new ATOM 0 HB3 LEU A 40 4.794 56.637 59.055 1.00 64.20 H new ATOM 0 HG LEU A 40 4.594 56.145 62.039 1.00 13.14 H new ATOM 0 HD11 LEU A 40 3.013 54.371 61.390 1.00 12.50 H new ATOM 0 HD12 LEU A 40 2.440 55.981 60.893 1.00 12.50 H new ATOM 0 HD13 LEU A 40 3.149 54.879 59.689 1.00 12.50 H new ATOM 0 HD21 LEU A 40 5.428 53.887 61.510 1.00 33.11 H new ATOM 0 HD22 LEU A 40 5.661 54.375 59.814 1.00 33.11 H new ATOM 0 HD23 LEU A 40 6.620 55.144 61.101 1.00 33.11 H new ATOM 630 N GLU A 41 6.072 59.796 61.450 1.00 2.42 N ATOM 631 CA GLU A 41 5.911 61.239 61.573 1.00 32.45 C ATOM 632 C GLU A 41 6.697 61.970 60.488 1.00 24.14 C ATOM 633 O GLU A 41 6.390 63.111 60.146 1.00 74.43 O ATOM 634 CB GLU A 41 6.368 61.710 62.955 1.00 70.41 C ATOM 635 CG GLU A 41 5.565 62.882 63.495 1.00 4.45 C ATOM 636 CD GLU A 41 5.880 63.185 64.947 1.00 52.11 C ATOM 637 OE1 GLU A 41 5.394 62.445 65.827 1.00 41.55 O ATOM 638 OE2 GLU A 41 6.615 64.163 65.202 1.00 13.14 O ATOM 0 H GLU A 41 6.223 59.312 62.335 1.00 2.42 H new ATOM 0 HA GLU A 41 4.853 61.472 61.449 1.00 32.45 H new ATOM 0 HB2 GLU A 41 6.296 60.878 63.655 1.00 70.41 H new ATOM 0 HB3 GLU A 41 7.419 61.994 62.904 1.00 70.41 H new ATOM 0 HG2 GLU A 41 5.768 63.766 62.891 1.00 4.45 H new ATOM 0 HG3 GLU A 41 4.501 62.666 63.395 1.00 4.45 H new ATOM 645 N ASP A 42 7.712 61.302 59.951 1.00 11.33 N ATOM 646 CA ASP A 42 8.543 61.885 58.905 1.00 51.22 C ATOM 647 C ASP A 42 7.870 61.758 57.542 1.00 41.03 C ATOM 648 O ASP A 42 7.574 62.759 56.888 1.00 34.32 O ATOM 649 CB ASP A 42 9.914 61.208 58.875 1.00 44.45 C ATOM 650 CG ASP A 42 10.980 62.086 58.250 1.00 11.11 C ATOM 651 OD1 ASP A 42 11.002 63.298 58.550 1.00 2.52 O ATOM 652 OD2 ASP A 42 11.792 61.561 57.459 1.00 60.04 O ATOM 0 H ASP A 42 7.979 60.356 60.223 1.00 11.33 H new ATOM 0 HA ASP A 42 8.674 62.944 59.129 1.00 51.22 H new ATOM 0 HB2 ASP A 42 10.211 60.949 59.892 1.00 44.45 H new ATOM 0 HB3 ASP A 42 9.843 60.275 58.317 1.00 44.45 H new ATOM 657 N LEU A 43 7.632 60.522 57.119 1.00 40.00 N ATOM 658 CA LEU A 43 6.994 60.263 55.833 1.00 25.11 C ATOM 659 C LEU A 43 5.587 60.851 55.794 1.00 42.21 C ATOM 660 O LEU A 43 5.060 61.157 54.724 1.00 22.22 O ATOM 661 CB LEU A 43 6.938 58.759 55.563 1.00 24.01 C ATOM 662 CG LEU A 43 7.349 58.312 54.159 1.00 33.44 C ATOM 663 CD1 LEU A 43 8.784 58.723 53.867 1.00 5.11 C ATOM 664 CD2 LEU A 43 7.182 56.807 54.007 1.00 70.50 C ATOM 0 H LEU A 43 7.871 59.683 57.648 1.00 40.00 H new ATOM 0 HA LEU A 43 7.590 60.743 55.057 1.00 25.11 H new ATOM 0 HB2 LEU A 43 7.581 58.257 56.285 1.00 24.01 H new ATOM 0 HB3 LEU A 43 5.921 58.415 55.749 1.00 24.01 H new ATOM 0 HG LEU A 43 6.697 58.804 53.437 1.00 33.44 H new ATOM 0 HD11 LEU A 43 9.059 58.397 52.864 1.00 5.11 H new ATOM 0 HD12 LEU A 43 8.872 59.807 53.933 1.00 5.11 H new ATOM 0 HD13 LEU A 43 9.450 58.260 54.595 1.00 5.11 H new ATOM 0 HD21 LEU A 43 7.479 56.508 53.002 1.00 70.50 H new ATOM 0 HD22 LEU A 43 7.808 56.296 54.738 1.00 70.50 H new ATOM 0 HD23 LEU A 43 6.139 56.538 54.172 1.00 70.50 H new ATOM 676 N HIS A 44 4.985 61.009 56.969 1.00 5.10 N ATOM 677 CA HIS A 44 3.640 61.563 57.070 1.00 22.44 C ATOM 678 C HIS A 44 3.470 62.751 56.127 1.00 52.40 C ATOM 679 O HIS A 44 2.419 62.922 55.509 1.00 35.13 O ATOM 680 CB HIS A 44 3.349 61.993 58.508 1.00 34.43 C ATOM 681 CG HIS A 44 2.072 62.761 58.657 1.00 24.31 C ATOM 682 ND1 HIS A 44 0.932 62.473 57.935 1.00 73.11 N ATOM 683 CD2 HIS A 44 1.757 63.810 59.453 1.00 25.43 C ATOM 684 CE1 HIS A 44 -0.028 63.314 58.279 1.00 40.31 C ATOM 685 NE2 HIS A 44 0.448 64.135 59.198 1.00 12.45 N ATOM 0 H HIS A 44 5.407 60.761 57.864 1.00 5.10 H new ATOM 0 HA HIS A 44 2.931 60.787 56.781 1.00 22.44 H new ATOM 0 HB2 HIS A 44 3.307 61.107 59.142 1.00 34.43 H new ATOM 0 HB3 HIS A 44 4.175 62.605 58.870 1.00 34.43 H new ATOM 0 HD2 HIS A 44 2.413 64.300 60.157 1.00 25.43 H new ATOM 0 HE1 HIS A 44 -1.030 63.328 57.877 1.00 40.31 H new ATOM 0 HE2 HIS A 44 -0.073 64.889 59.646 1.00 12.45 H new ATOM 693 N THR A 45 4.511 63.570 56.022 1.00 74.43 N ATOM 694 CA THR A 45 4.476 64.743 55.157 1.00 33.41 C ATOM 695 C THR A 45 3.904 64.399 53.787 1.00 4.01 C ATOM 696 O THR A 45 3.133 65.169 53.215 1.00 22.45 O ATOM 697 CB THR A 45 5.880 65.349 54.976 1.00 73.45 C ATOM 698 OG1 THR A 45 5.791 66.588 54.261 1.00 63.00 O ATOM 699 CG2 THR A 45 6.792 64.390 54.227 1.00 72.43 C ATOM 0 H THR A 45 5.389 63.443 56.525 1.00 74.43 H new ATOM 0 HA THR A 45 3.832 65.475 55.644 1.00 33.41 H new ATOM 0 HB THR A 45 6.303 65.530 55.964 1.00 73.45 H new ATOM 0 HG1 THR A 45 6.688 66.968 54.151 1.00 63.00 H new ATOM 0 HG21 THR A 45 7.778 64.841 54.112 1.00 72.43 H new ATOM 0 HG22 THR A 45 6.882 63.460 54.788 1.00 72.43 H new ATOM 0 HG23 THR A 45 6.371 64.181 53.243 1.00 72.43 H new ATOM 707 N ARG A 46 4.286 63.237 53.266 1.00 11.31 N ATOM 708 CA ARG A 46 3.810 62.792 51.962 1.00 3.14 C ATOM 709 C ARG A 46 2.829 61.633 52.108 1.00 3.43 C ATOM 710 O ARG A 46 1.689 61.709 51.648 1.00 44.42 O ATOM 711 CB ARG A 46 4.988 62.368 51.084 1.00 64.53 C ATOM 712 CG ARG A 46 4.951 62.964 49.686 1.00 61.42 C ATOM 713 CD ARG A 46 5.724 64.273 49.617 1.00 11.25 C ATOM 714 NE ARG A 46 4.984 65.376 50.224 1.00 65.11 N ATOM 715 CZ ARG A 46 5.441 66.622 50.284 1.00 42.55 C ATOM 716 NH1 ARG A 46 6.629 66.921 49.777 1.00 45.43 N ATOM 717 NH2 ARG A 46 4.711 67.571 50.853 1.00 74.22 N ATOM 0 H ARG A 46 4.923 62.587 53.727 1.00 11.31 H new ATOM 0 HA ARG A 46 3.293 63.626 51.488 1.00 3.14 H new ATOM 0 HB2 ARG A 46 5.918 62.663 51.571 1.00 64.53 H new ATOM 0 HB3 ARG A 46 4.999 61.281 51.006 1.00 64.53 H new ATOM 0 HG2 ARG A 46 5.373 62.253 48.975 1.00 61.42 H new ATOM 0 HG3 ARG A 46 3.916 63.135 49.390 1.00 61.42 H new ATOM 0 HD2 ARG A 46 6.682 64.156 50.124 1.00 11.25 H new ATOM 0 HD3 ARG A 46 5.942 64.511 48.576 1.00 11.25 H new ATOM 0 HE ARG A 46 4.066 65.179 50.624 1.00 65.11 H new ATOM 0 HH11 ARG A 46 7.195 66.194 49.339 1.00 45.43 H new ATOM 0 HH12 ARG A 46 6.977 67.878 49.824 1.00 45.43 H new ATOM 0 HH21 ARG A 46 3.797 67.345 51.246 1.00 74.22 H new ATOM 0 HH22 ARG A 46 5.063 68.527 50.898 1.00 74.22 H new ATOM 731 N ARG A 47 3.279 60.560 52.751 1.00 41.00 N ATOM 732 CA ARG A 47 2.442 59.384 52.957 1.00 64.40 C ATOM 733 C ARG A 47 2.949 58.554 54.132 1.00 65.31 C ATOM 734 O ARG A 47 3.923 57.809 54.023 1.00 63.44 O ATOM 735 CB ARG A 47 2.409 58.527 51.689 1.00 74.24 C ATOM 736 CG ARG A 47 1.704 57.194 51.874 1.00 33.13 C ATOM 737 CD ARG A 47 0.192 57.359 51.877 1.00 14.43 C ATOM 738 NE ARG A 47 -0.328 57.673 50.550 1.00 4.24 N ATOM 739 CZ ARG A 47 -0.506 58.912 50.104 1.00 3.21 C ATOM 740 NH1 ARG A 47 -0.208 59.947 50.876 1.00 2.30 N ATOM 741 NH2 ARG A 47 -0.984 59.116 48.883 1.00 65.21 N ATOM 0 H ARG A 47 4.219 60.481 53.138 1.00 41.00 H new ATOM 0 HA ARG A 47 1.432 59.724 53.185 1.00 64.40 H new ATOM 0 HB2 ARG A 47 1.911 59.085 50.896 1.00 74.24 H new ATOM 0 HB3 ARG A 47 3.431 58.345 51.357 1.00 74.24 H new ATOM 0 HG2 ARG A 47 1.995 56.513 51.074 1.00 33.13 H new ATOM 0 HG3 ARG A 47 2.023 56.739 52.812 1.00 33.13 H new ATOM 0 HD2 ARG A 47 -0.272 56.442 52.240 1.00 14.43 H new ATOM 0 HD3 ARG A 47 -0.084 58.152 52.571 1.00 14.43 H new ATOM 0 HE ARG A 47 -0.568 56.899 49.931 1.00 4.24 H new ATOM 0 HH11 ARG A 47 0.159 59.794 51.815 1.00 2.30 H new ATOM 0 HH12 ARG A 47 -0.346 60.897 50.531 1.00 2.30 H new ATOM 0 HH21 ARG A 47 -1.215 58.322 48.286 1.00 65.21 H new ATOM 0 HH22 ARG A 47 -1.120 60.067 48.541 1.00 65.21 H new ATOM 755 N PRO A 48 2.274 58.684 55.283 1.00 12.02 N ATOM 756 CA PRO A 48 2.638 57.954 56.502 1.00 23.34 C ATOM 757 C PRO A 48 2.352 56.460 56.389 1.00 71.41 C ATOM 758 O PRO A 48 3.218 55.631 56.665 1.00 1.02 O ATOM 759 CB PRO A 48 1.750 58.589 57.574 1.00 50.43 C ATOM 760 CG PRO A 48 0.578 59.126 56.828 1.00 20.44 C ATOM 761 CD PRO A 48 1.103 59.554 55.485 1.00 14.34 C ATOM 0 HA PRO A 48 3.704 58.024 56.717 1.00 23.34 H new ATOM 0 HB2 PRO A 48 1.442 57.855 58.319 1.00 50.43 H new ATOM 0 HB3 PRO A 48 2.277 59.381 58.106 1.00 50.43 H new ATOM 0 HG2 PRO A 48 -0.197 58.367 56.720 1.00 20.44 H new ATOM 0 HG3 PRO A 48 0.130 59.967 57.358 1.00 20.44 H new ATOM 0 HD2 PRO A 48 0.359 59.415 54.700 1.00 14.34 H new ATOM 0 HD3 PRO A 48 1.380 60.608 55.479 1.00 14.34 H new ATOM 769 N ASP A 49 1.132 56.126 55.982 1.00 3.23 N ATOM 770 CA ASP A 49 0.733 54.731 55.832 1.00 11.14 C ATOM 771 C ASP A 49 1.788 53.944 55.061 1.00 3.14 C ATOM 772 O ASP A 49 1.832 52.716 55.131 1.00 61.20 O ATOM 773 CB ASP A 49 -0.615 54.640 55.115 1.00 24.44 C ATOM 774 CG ASP A 49 -1.179 53.232 55.120 1.00 74.11 C ATOM 775 OD1 ASP A 49 -1.554 52.748 56.208 1.00 33.12 O ATOM 776 OD2 ASP A 49 -1.244 52.615 54.036 1.00 15.55 O ATOM 0 H ASP A 49 0.403 56.801 55.750 1.00 3.23 H new ATOM 0 HA ASP A 49 0.637 54.296 56.827 1.00 11.14 H new ATOM 0 HB2 ASP A 49 -1.325 55.314 55.594 1.00 24.44 H new ATOM 0 HB3 ASP A 49 -0.499 54.978 54.085 1.00 24.44 H new ATOM 781 N GLU A 50 2.633 54.658 54.326 1.00 73.05 N ATOM 782 CA GLU A 50 3.687 54.026 53.541 1.00 11.03 C ATOM 783 C GLU A 50 4.889 53.688 54.417 1.00 44.24 C ATOM 784 O GLU A 50 5.412 52.574 54.370 1.00 44.44 O ATOM 785 CB GLU A 50 4.118 54.941 52.394 1.00 25.24 C ATOM 786 CG GLU A 50 5.145 54.312 51.467 1.00 34.42 C ATOM 787 CD GLU A 50 4.728 52.937 50.981 1.00 72.33 C ATOM 788 OE1 GLU A 50 3.879 52.863 50.067 1.00 43.34 O ATOM 789 OE2 GLU A 50 5.250 51.936 51.515 1.00 21.54 O ATOM 0 H GLU A 50 2.609 55.675 54.257 1.00 73.05 H new ATOM 0 HA GLU A 50 3.290 53.099 53.126 1.00 11.03 H new ATOM 0 HB2 GLU A 50 3.239 55.220 51.813 1.00 25.24 H new ATOM 0 HB3 GLU A 50 4.531 55.861 52.809 1.00 25.24 H new ATOM 0 HG2 GLU A 50 5.302 54.965 50.608 1.00 34.42 H new ATOM 0 HG3 GLU A 50 6.100 54.235 51.987 1.00 34.42 H new ATOM 796 N PHE A 51 5.324 54.658 55.215 1.00 12.53 N ATOM 797 CA PHE A 51 6.466 54.465 56.101 1.00 4.41 C ATOM 798 C PHE A 51 6.245 53.267 57.022 1.00 24.54 C ATOM 799 O PHE A 51 7.192 52.720 57.586 1.00 13.51 O ATOM 800 CB PHE A 51 6.711 55.724 56.935 1.00 21.05 C ATOM 801 CG PHE A 51 8.048 55.740 57.618 1.00 0.11 C ATOM 802 CD1 PHE A 51 8.237 55.069 58.815 1.00 53.53 C ATOM 803 CD2 PHE A 51 9.116 56.427 57.063 1.00 5.45 C ATOM 804 CE1 PHE A 51 9.466 55.084 59.447 1.00 5.42 C ATOM 805 CE2 PHE A 51 10.348 56.444 57.689 1.00 1.13 C ATOM 806 CZ PHE A 51 10.523 55.770 58.882 1.00 71.03 C ATOM 0 H PHE A 51 4.903 55.586 55.266 1.00 12.53 H new ATOM 0 HA PHE A 51 7.343 54.270 55.484 1.00 4.41 H new ATOM 0 HB2 PHE A 51 6.631 56.599 56.290 1.00 21.05 H new ATOM 0 HB3 PHE A 51 5.927 55.810 57.687 1.00 21.05 H new ATOM 0 HD1 PHE A 51 7.415 54.528 59.259 1.00 53.53 H new ATOM 0 HD2 PHE A 51 8.984 56.955 56.130 1.00 5.45 H new ATOM 0 HE1 PHE A 51 9.600 54.560 60.382 1.00 5.42 H new ATOM 0 HE2 PHE A 51 11.172 56.983 57.246 1.00 1.13 H new ATOM 0 HZ PHE A 51 11.485 55.780 59.372 1.00 71.03 H new ATOM 816 N THR A 52 4.986 52.865 57.167 1.00 24.13 N ATOM 817 CA THR A 52 4.638 51.734 58.018 1.00 55.04 C ATOM 818 C THR A 52 5.660 50.611 57.884 1.00 3.32 C ATOM 819 O THR A 52 5.806 49.782 58.783 1.00 22.43 O ATOM 820 CB THR A 52 3.240 51.185 57.680 1.00 4.41 C ATOM 821 OG1 THR A 52 3.190 50.785 56.306 1.00 34.52 O ATOM 822 CG2 THR A 52 2.168 52.230 57.949 1.00 72.32 C ATOM 0 H THR A 52 4.190 53.306 56.706 1.00 24.13 H new ATOM 0 HA THR A 52 4.637 52.100 59.045 1.00 55.04 H new ATOM 0 HB THR A 52 3.050 50.321 58.317 1.00 4.41 H new ATOM 0 HG1 THR A 52 2.417 51.203 55.872 1.00 34.52 H new ATOM 0 HG21 THR A 52 1.189 51.819 57.703 1.00 72.32 H new ATOM 0 HG22 THR A 52 2.189 52.510 59.002 1.00 72.32 H new ATOM 0 HG23 THR A 52 2.356 53.111 57.335 1.00 72.32 H new ATOM 830 N ALA A 53 6.364 50.590 56.758 1.00 45.42 N ATOM 831 CA ALA A 53 7.374 49.568 56.508 1.00 52.00 C ATOM 832 C ALA A 53 8.391 49.513 57.642 1.00 42.25 C ATOM 833 O ALA A 53 9.120 48.531 57.789 1.00 74.24 O ATOM 834 CB ALA A 53 8.073 49.830 55.182 1.00 13.42 C ATOM 0 H ALA A 53 6.254 51.268 56.004 1.00 45.42 H new ATOM 0 HA ALA A 53 6.873 48.601 56.457 1.00 52.00 H new ATOM 0 HB1 ALA A 53 8.824 49.060 55.008 1.00 13.42 H new ATOM 0 HB2 ALA A 53 7.341 49.811 54.375 1.00 13.42 H new ATOM 0 HB3 ALA A 53 8.555 50.807 55.212 1.00 13.42 H new ATOM 840 N ARG A 54 8.437 50.573 58.442 1.00 60.13 N ATOM 841 CA ARG A 54 9.367 50.646 59.563 1.00 31.03 C ATOM 842 C ARG A 54 8.829 49.878 60.767 1.00 73.31 C ATOM 843 O ARG A 54 9.360 48.830 61.136 1.00 31.31 O ATOM 844 CB ARG A 54 9.623 52.105 59.947 1.00 32.12 C ATOM 845 CG ARG A 54 10.908 52.311 60.731 1.00 73.32 C ATOM 846 CD ARG A 54 10.779 51.803 62.159 1.00 20.34 C ATOM 847 NE ARG A 54 11.781 50.789 62.471 1.00 42.43 N ATOM 848 CZ ARG A 54 11.851 50.160 63.639 1.00 42.13 C ATOM 849 NH1 ARG A 54 10.980 50.438 64.599 1.00 51.32 N ATOM 850 NH2 ARG A 54 12.793 49.249 63.848 1.00 55.33 N ATOM 0 H ARG A 54 7.841 51.394 58.335 1.00 60.13 H new ATOM 0 HA ARG A 54 10.307 50.189 59.253 1.00 31.03 H new ATOM 0 HB2 ARG A 54 9.659 52.710 59.041 1.00 32.12 H new ATOM 0 HB3 ARG A 54 8.783 52.469 60.539 1.00 32.12 H new ATOM 0 HG2 ARG A 54 11.727 51.792 60.232 1.00 73.32 H new ATOM 0 HG3 ARG A 54 11.162 53.371 60.743 1.00 73.32 H new ATOM 0 HD2 ARG A 54 10.881 52.638 62.852 1.00 20.34 H new ATOM 0 HD3 ARG A 54 9.783 51.386 62.307 1.00 20.34 H new ATOM 0 HE ARG A 54 12.465 50.550 61.753 1.00 42.43 H new ATOM 0 HH11 ARG A 54 10.254 51.137 64.442 1.00 51.32 H new ATOM 0 HH12 ARG A 54 11.036 49.953 65.495 1.00 51.32 H new ATOM 0 HH21 ARG A 54 13.464 49.031 63.111 1.00 55.33 H new ATOM 0 HH22 ARG A 54 12.846 48.767 64.745 1.00 55.33 H new ATOM 864 N LEU A 55 7.773 50.407 61.375 1.00 52.04 N ATOM 865 CA LEU A 55 7.163 49.773 62.538 1.00 51.44 C ATOM 866 C LEU A 55 6.451 48.482 62.144 1.00 65.34 C ATOM 867 O LEU A 55 6.155 47.642 62.993 1.00 22.11 O ATOM 868 CB LEU A 55 6.174 50.729 63.207 1.00 60.53 C ATOM 869 CG LEU A 55 4.747 50.711 62.659 1.00 4.35 C ATOM 870 CD1 LEU A 55 4.744 51.000 61.166 1.00 63.40 C ATOM 871 CD2 LEU A 55 4.083 49.371 62.946 1.00 52.35 C ATOM 0 H LEU A 55 7.322 51.273 61.082 1.00 52.04 H new ATOM 0 HA LEU A 55 7.957 49.529 63.244 1.00 51.44 H new ATOM 0 HB2 LEU A 55 6.136 50.495 64.271 1.00 60.53 H new ATOM 0 HB3 LEU A 55 6.563 51.743 63.118 1.00 60.53 H new ATOM 0 HG LEU A 55 4.176 51.493 63.160 1.00 4.35 H new ATOM 0 HD11 LEU A 55 3.720 50.983 60.794 1.00 63.40 H new ATOM 0 HD12 LEU A 55 5.179 51.983 60.985 1.00 63.40 H new ATOM 0 HD13 LEU A 55 5.331 50.242 60.647 1.00 63.40 H new ATOM 0 HD21 LEU A 55 3.068 49.376 62.549 1.00 52.35 H new ATOM 0 HD22 LEU A 55 4.654 48.573 62.472 1.00 52.35 H new ATOM 0 HD23 LEU A 55 4.051 49.204 64.023 1.00 52.35 H new ATOM 883 N GLN A 56 6.182 48.333 60.851 1.00 41.02 N ATOM 884 CA GLN A 56 5.507 47.144 60.345 1.00 23.11 C ATOM 885 C GLN A 56 6.291 45.883 60.691 1.00 53.31 C ATOM 886 O GLN A 56 5.732 44.788 60.742 1.00 21.10 O ATOM 887 CB GLN A 56 5.323 47.243 58.829 1.00 11.43 C ATOM 888 CG GLN A 56 5.055 45.905 58.160 1.00 12.44 C ATOM 889 CD GLN A 56 4.435 46.053 56.785 1.00 64.12 C ATOM 890 OE1 GLN A 56 4.002 47.140 56.400 1.00 52.21 O ATOM 891 NE2 GLN A 56 4.390 44.959 56.033 1.00 41.43 N ATOM 0 H GLN A 56 6.421 49.020 60.136 1.00 41.02 H new ATOM 0 HA GLN A 56 4.528 47.083 60.821 1.00 23.11 H new ATOM 0 HB2 GLN A 56 4.495 47.919 58.615 1.00 11.43 H new ATOM 0 HB3 GLN A 56 6.217 47.686 58.391 1.00 11.43 H new ATOM 0 HG2 GLN A 56 5.990 45.352 58.075 1.00 12.44 H new ATOM 0 HG3 GLN A 56 4.392 45.314 58.792 1.00 12.44 H new ATOM 0 HE21 GLN A 56 4.760 44.079 56.391 1.00 41.43 H new ATOM 0 HE22 GLN A 56 3.985 44.999 55.098 1.00 41.43 H new ATOM 900 N GLN A 57 7.589 46.045 60.930 1.00 33.04 N ATOM 901 CA GLN A 57 8.449 44.919 61.272 1.00 52.40 C ATOM 902 C GLN A 57 8.370 44.607 62.764 1.00 24.53 C ATOM 903 O GLN A 57 8.657 43.487 63.189 1.00 73.51 O ATOM 904 CB GLN A 57 9.897 45.217 60.877 1.00 53.01 C ATOM 905 CG GLN A 57 10.303 44.604 59.547 1.00 11.34 C ATOM 906 CD GLN A 57 11.104 43.328 59.713 1.00 12.24 C ATOM 907 OE1 GLN A 57 11.438 42.932 60.831 1.00 32.44 O ATOM 908 NE2 GLN A 57 11.416 42.675 58.600 1.00 3.03 N ATOM 0 H GLN A 57 8.067 46.945 60.893 1.00 33.04 H new ATOM 0 HA GLN A 57 8.101 44.047 60.718 1.00 52.40 H new ATOM 0 HB2 GLN A 57 10.036 46.297 60.828 1.00 53.01 H new ATOM 0 HB3 GLN A 57 10.562 44.845 61.657 1.00 53.01 H new ATOM 0 HG2 GLN A 57 9.409 44.393 58.960 1.00 11.34 H new ATOM 0 HG3 GLN A 57 10.892 45.327 58.983 1.00 11.34 H new ATOM 0 HE21 GLN A 57 11.119 43.039 57.695 1.00 3.03 H new ATOM 0 HE22 GLN A 57 11.953 41.809 58.650 1.00 3.03 H new ATOM 917 N SER A 58 7.981 45.603 63.551 1.00 0.52 N ATOM 918 CA SER A 58 7.868 45.436 64.996 1.00 45.40 C ATOM 919 C SER A 58 6.652 44.586 65.351 1.00 71.11 C ATOM 920 O SER A 58 6.780 43.500 65.915 1.00 41.44 O ATOM 921 CB SER A 58 7.771 46.799 65.683 1.00 71.23 C ATOM 922 OG SER A 58 9.035 47.439 65.726 1.00 51.34 O ATOM 0 H SER A 58 7.738 46.535 63.214 1.00 0.52 H new ATOM 0 HA SER A 58 8.763 44.923 65.349 1.00 45.40 H new ATOM 0 HB2 SER A 58 7.059 47.429 65.150 1.00 71.23 H new ATOM 0 HB3 SER A 58 7.389 46.673 66.696 1.00 71.23 H new ATOM 0 HG SER A 58 8.946 48.309 66.168 1.00 51.34 H new ATOM 928 N THR A 59 5.467 45.091 65.017 1.00 63.13 N ATOM 929 CA THR A 59 4.226 44.381 65.300 1.00 40.54 C ATOM 930 C THR A 59 4.364 42.893 65.003 1.00 64.20 C ATOM 931 O THR A 59 3.612 42.073 65.528 1.00 32.22 O ATOM 932 CB THR A 59 3.054 44.952 64.482 1.00 11.04 C ATOM 933 OG1 THR A 59 1.816 44.698 65.157 1.00 70.34 O ATOM 934 CG2 THR A 59 3.014 44.336 63.092 1.00 24.33 C ATOM 0 H THR A 59 5.342 45.989 64.550 1.00 63.13 H new ATOM 0 HA THR A 59 4.018 44.518 66.361 1.00 40.54 H new ATOM 0 HB THR A 59 3.199 46.028 64.382 1.00 11.04 H new ATOM 0 HG1 THR A 59 1.075 45.066 64.631 1.00 70.34 H new ATOM 0 HG21 THR A 59 2.178 44.755 62.532 1.00 24.33 H new ATOM 0 HG22 THR A 59 3.946 44.555 62.570 1.00 24.33 H new ATOM 0 HG23 THR A 59 2.890 43.256 63.176 1.00 24.33 H new ATOM 942 N ASP A 60 5.329 42.550 64.156 1.00 71.11 N ATOM 943 CA ASP A 60 5.566 41.159 63.789 1.00 21.10 C ATOM 944 C ASP A 60 5.876 40.317 65.022 1.00 62.02 C ATOM 945 O ASP A 60 5.280 39.261 65.231 1.00 13.52 O ATOM 946 CB ASP A 60 6.717 41.062 62.786 1.00 50.15 C ATOM 947 CG ASP A 60 6.302 40.392 61.492 1.00 44.02 C ATOM 948 OD1 ASP A 60 5.828 41.102 60.581 1.00 30.24 O ATOM 949 OD2 ASP A 60 6.455 39.157 61.389 1.00 12.13 O ATOM 0 H ASP A 60 5.960 43.217 63.711 1.00 71.11 H new ATOM 0 HA ASP A 60 4.658 40.772 63.326 1.00 21.10 H new ATOM 0 HB2 ASP A 60 7.092 42.062 62.570 1.00 50.15 H new ATOM 0 HB3 ASP A 60 7.539 40.503 63.234 1.00 50.15 H new ATOM 954 N ALA A 61 6.815 40.791 65.835 1.00 64.43 N ATOM 955 CA ALA A 61 7.204 40.082 67.048 1.00 45.03 C ATOM 956 C ALA A 61 6.001 39.837 67.951 1.00 63.52 C ATOM 957 O ALA A 61 5.808 38.731 68.459 1.00 62.05 O ATOM 958 CB ALA A 61 8.277 40.862 67.794 1.00 31.40 C ATOM 0 H ALA A 61 7.320 41.663 65.675 1.00 64.43 H new ATOM 0 HA ALA A 61 7.610 39.113 66.758 1.00 45.03 H new ATOM 0 HB1 ALA A 61 8.558 40.321 68.698 1.00 31.40 H new ATOM 0 HB2 ALA A 61 9.152 40.980 67.155 1.00 31.40 H new ATOM 0 HB3 ALA A 61 7.891 41.845 68.065 1.00 31.40 H new ATOM 964 N LEU A 62 5.194 40.873 68.146 1.00 14.40 N ATOM 965 CA LEU A 62 4.007 40.770 68.989 1.00 52.41 C ATOM 966 C LEU A 62 2.921 39.948 68.303 1.00 54.42 C ATOM 967 O LEU A 62 2.104 39.307 68.964 1.00 35.33 O ATOM 968 CB LEU A 62 3.473 42.164 69.324 1.00 53.33 C ATOM 969 CG LEU A 62 2.919 42.348 70.738 1.00 72.30 C ATOM 970 CD1 LEU A 62 3.961 41.960 71.775 1.00 72.51 C ATOM 971 CD2 LEU A 62 2.463 43.785 70.948 1.00 73.13 C ATOM 0 H LEU A 62 5.339 41.794 67.732 1.00 14.40 H new ATOM 0 HA LEU A 62 4.290 40.264 69.912 1.00 52.41 H new ATOM 0 HB2 LEU A 62 4.276 42.885 69.173 1.00 53.33 H new ATOM 0 HB3 LEU A 62 2.686 42.411 68.612 1.00 53.33 H new ATOM 0 HG LEU A 62 2.057 41.692 70.858 1.00 72.30 H new ATOM 0 HD11 LEU A 62 3.548 42.098 72.774 1.00 72.51 H new ATOM 0 HD12 LEU A 62 4.239 40.915 71.638 1.00 72.51 H new ATOM 0 HD13 LEU A 62 4.843 42.589 71.657 1.00 72.51 H new ATOM 0 HD21 LEU A 62 2.072 43.898 71.959 1.00 73.13 H new ATOM 0 HD22 LEU A 62 3.308 44.459 70.808 1.00 73.13 H new ATOM 0 HD23 LEU A 62 1.682 44.028 70.227 1.00 73.13 H new ATOM 983 N TYR A 63 2.920 39.969 66.975 1.00 50.54 N ATOM 984 CA TYR A 63 1.935 39.226 66.200 1.00 31.12 C ATOM 985 C TYR A 63 2.214 37.727 66.257 1.00 34.30 C ATOM 986 O TYR A 63 1.299 36.920 66.418 1.00 14.51 O ATOM 987 CB TYR A 63 1.937 39.701 64.746 1.00 34.21 C ATOM 988 CG TYR A 63 1.860 38.574 63.741 1.00 33.32 C ATOM 989 CD1 TYR A 63 3.011 37.935 63.294 1.00 35.42 C ATOM 990 CD2 TYR A 63 0.637 38.148 63.237 1.00 30.14 C ATOM 991 CE1 TYR A 63 2.945 36.906 62.375 1.00 51.22 C ATOM 992 CE2 TYR A 63 0.562 37.118 62.319 1.00 10.02 C ATOM 993 CZ TYR A 63 1.719 36.501 61.892 1.00 25.33 C ATOM 994 OH TYR A 63 1.648 35.476 60.976 1.00 2.33 O ATOM 0 H TYR A 63 3.591 40.493 66.413 1.00 50.54 H new ATOM 0 HA TYR A 63 0.953 39.411 66.635 1.00 31.12 H new ATOM 0 HB2 TYR A 63 1.093 40.373 64.591 1.00 34.21 H new ATOM 0 HB3 TYR A 63 2.843 40.279 64.563 1.00 34.21 H new ATOM 0 HD1 TYR A 63 3.973 38.249 63.672 1.00 35.42 H new ATOM 0 HD2 TYR A 63 -0.271 38.630 63.569 1.00 30.14 H new ATOM 0 HE1 TYR A 63 3.849 36.421 62.037 1.00 51.22 H new ATOM 0 HE2 TYR A 63 -0.397 36.798 61.938 1.00 10.02 H new ATOM 0 HH TYR A 63 0.711 35.314 60.739 1.00 2.33 H new ATOM 1004 N SER A 64 3.486 37.363 66.124 1.00 52.10 N ATOM 1005 CA SER A 64 3.886 35.962 66.158 1.00 45.14 C ATOM 1006 C SER A 64 4.062 35.481 67.595 1.00 32.34 C ATOM 1007 O SER A 64 3.816 34.315 67.906 1.00 1.11 O ATOM 1008 CB SER A 64 5.190 35.764 65.379 1.00 13.55 C ATOM 1009 OG SER A 64 5.200 34.511 64.716 1.00 61.45 O ATOM 0 H SER A 64 4.256 38.019 65.992 1.00 52.10 H new ATOM 0 HA SER A 64 3.097 35.373 65.691 1.00 45.14 H new ATOM 0 HB2 SER A 64 5.308 36.566 64.650 1.00 13.55 H new ATOM 0 HB3 SER A 64 6.038 35.826 66.061 1.00 13.55 H new ATOM 0 HG SER A 64 6.041 34.408 64.224 1.00 61.45 H new ATOM 1015 N HIS A 65 4.488 36.387 68.468 1.00 74.53 N ATOM 1016 CA HIS A 65 4.696 36.058 69.874 1.00 12.01 C ATOM 1017 C HIS A 65 3.402 35.559 70.511 1.00 45.24 C ATOM 1018 O HIS A 65 3.370 34.486 71.115 1.00 42.45 O ATOM 1019 CB HIS A 65 5.215 37.278 70.634 1.00 11.41 C ATOM 1020 CG HIS A 65 5.205 37.106 72.122 1.00 4.21 C ATOM 1021 ND1 HIS A 65 6.351 37.111 72.889 1.00 30.14 N ATOM 1022 CD2 HIS A 65 4.178 36.924 72.985 1.00 23.03 C ATOM 1023 CE1 HIS A 65 6.030 36.938 74.159 1.00 20.34 C ATOM 1024 NE2 HIS A 65 4.717 36.822 74.244 1.00 73.21 N ATOM 0 H HIS A 65 4.696 37.356 68.227 1.00 74.53 H new ATOM 0 HA HIS A 65 5.439 35.262 69.930 1.00 12.01 H new ATOM 0 HB2 HIS A 65 6.233 37.493 70.308 1.00 11.41 H new ATOM 0 HB3 HIS A 65 4.607 38.144 70.373 1.00 11.41 H new ATOM 0 HD2 HIS A 65 3.130 36.869 72.731 1.00 23.03 H new ATOM 0 HE1 HIS A 65 6.723 36.898 74.986 1.00 20.34 H new ATOM 0 HE2 HIS A 65 4.189 36.680 75.105 1.00 73.21 H new ATOM 1032 N LEU A 66 2.340 36.343 70.374 1.00 11.11 N ATOM 1033 CA LEU A 66 1.043 35.982 70.938 1.00 24.41 C ATOM 1034 C LEU A 66 0.394 34.861 70.132 1.00 70.30 C ATOM 1035 O LEU A 66 -0.077 33.873 70.694 1.00 15.33 O ATOM 1036 CB LEU A 66 0.121 37.201 70.971 1.00 62.41 C ATOM 1037 CG LEU A 66 -1.220 37.010 71.679 1.00 21.45 C ATOM 1038 CD1 LEU A 66 -1.196 37.661 73.052 1.00 14.34 C ATOM 1039 CD2 LEU A 66 -2.353 37.577 70.838 1.00 24.54 C ATOM 0 H LEU A 66 2.350 37.234 69.877 1.00 11.11 H new ATOM 0 HA LEU A 66 1.203 35.629 71.957 1.00 24.41 H new ATOM 0 HB2 LEU A 66 0.652 38.020 71.457 1.00 62.41 H new ATOM 0 HB3 LEU A 66 -0.074 37.512 69.945 1.00 62.41 H new ATOM 0 HG LEU A 66 -1.391 35.941 71.809 1.00 21.45 H new ATOM 0 HD11 LEU A 66 -2.159 37.515 73.541 1.00 14.34 H new ATOM 0 HD12 LEU A 66 -0.410 37.208 73.656 1.00 14.34 H new ATOM 0 HD13 LEU A 66 -1.002 38.728 72.945 1.00 14.34 H new ATOM 0 HD21 LEU A 66 -3.300 37.432 71.358 1.00 24.54 H new ATOM 0 HD22 LEU A 66 -2.188 38.642 70.675 1.00 24.54 H new ATOM 0 HD23 LEU A 66 -2.385 37.064 69.877 1.00 24.54 H new ATOM 1051 N GLU A 67 0.374 35.022 68.813 1.00 4.10 N ATOM 1052 CA GLU A 67 -0.217 34.022 67.930 1.00 50.32 C ATOM 1053 C GLU A 67 0.481 32.674 68.092 1.00 25.00 C ATOM 1054 O GLU A 67 -0.150 31.621 67.998 1.00 31.22 O ATOM 1055 CB GLU A 67 -0.132 34.481 66.474 1.00 23.45 C ATOM 1056 CG GLU A 67 -1.052 33.713 65.539 1.00 34.20 C ATOM 1057 CD GLU A 67 -0.347 32.573 64.833 1.00 4.24 C ATOM 1058 OE1 GLU A 67 0.404 31.834 65.501 1.00 42.41 O ATOM 1059 OE2 GLU A 67 -0.548 32.420 63.609 1.00 45.34 O ATOM 0 H GLU A 67 0.760 35.835 68.332 1.00 4.10 H new ATOM 0 HA GLU A 67 -1.265 33.905 68.205 1.00 50.32 H new ATOM 0 HB2 GLU A 67 -0.377 35.542 66.421 1.00 23.45 H new ATOM 0 HB3 GLU A 67 0.896 34.374 66.128 1.00 23.45 H new ATOM 0 HG2 GLU A 67 -1.894 33.318 66.108 1.00 34.20 H new ATOM 0 HG3 GLU A 67 -1.462 34.397 64.796 1.00 34.20 H new ATOM 1066 N ALA A 68 1.787 32.715 68.334 1.00 64.32 N ATOM 1067 CA ALA A 68 2.570 31.498 68.509 1.00 72.44 C ATOM 1068 C ALA A 68 2.486 30.993 69.945 1.00 61.42 C ATOM 1069 O ALA A 68 2.131 29.840 70.186 1.00 20.10 O ATOM 1070 CB ALA A 68 4.021 31.744 68.118 1.00 33.04 C ATOM 0 H ALA A 68 2.325 33.578 68.413 1.00 64.32 H new ATOM 0 HA ALA A 68 2.154 30.730 67.857 1.00 72.44 H new ATOM 0 HB1 ALA A 68 4.595 30.827 68.253 1.00 33.04 H new ATOM 0 HB2 ALA A 68 4.069 32.051 67.073 1.00 33.04 H new ATOM 0 HB3 ALA A 68 4.439 32.530 68.747 1.00 33.04 H new ATOM 1076 N GLN A 69 2.815 31.863 70.894 1.00 74.50 N ATOM 1077 CA GLN A 69 2.777 31.504 72.306 1.00 35.12 C ATOM 1078 C GLN A 69 1.342 31.282 72.774 1.00 21.54 C ATOM 1079 O GLN A 69 1.002 30.212 73.279 1.00 33.43 O ATOM 1080 CB GLN A 69 3.437 32.595 73.150 1.00 42.42 C ATOM 1081 CG GLN A 69 3.995 32.089 74.471 1.00 4.40 C ATOM 1082 CD GLN A 69 3.258 32.652 75.670 1.00 42.04 C ATOM 1083 OE1 GLN A 69 2.158 33.190 75.541 1.00 61.45 O ATOM 1084 NE2 GLN A 69 3.862 32.531 76.847 1.00 11.11 N ATOM 0 H GLN A 69 3.111 32.822 70.710 1.00 74.50 H new ATOM 0 HA GLN A 69 3.329 30.573 72.432 1.00 35.12 H new ATOM 0 HB2 GLN A 69 4.244 33.050 72.575 1.00 42.42 H new ATOM 0 HB3 GLN A 69 2.707 33.379 73.350 1.00 42.42 H new ATOM 0 HG2 GLN A 69 3.938 31.001 74.492 1.00 4.40 H new ATOM 0 HG3 GLN A 69 5.050 32.354 74.541 1.00 4.40 H new ATOM 0 HE21 GLN A 69 4.774 32.078 76.908 1.00 11.11 H new ATOM 0 HE22 GLN A 69 3.414 32.891 77.690 1.00 11.11 H new ATOM 1093 N TRP A 70 0.505 32.299 72.602 1.00 30.40 N ATOM 1094 CA TRP A 70 -0.894 32.216 73.007 1.00 23.31 C ATOM 1095 C TRP A 70 -1.610 31.095 72.259 1.00 53.23 C ATOM 1096 O TRP A 70 -2.621 30.574 72.727 1.00 43.10 O ATOM 1097 CB TRP A 70 -1.600 33.548 72.752 1.00 61.01 C ATOM 1098 CG TRP A 70 -2.726 33.814 73.705 1.00 32.41 C ATOM 1099 CD1 TRP A 70 -4.022 34.100 73.382 1.00 64.30 C ATOM 1100 CD2 TRP A 70 -2.655 33.821 75.134 1.00 32.13 C ATOM 1101 NE1 TRP A 70 -4.761 34.285 74.525 1.00 13.52 N ATOM 1102 CE2 TRP A 70 -3.946 34.119 75.614 1.00 23.05 C ATOM 1103 CE3 TRP A 70 -1.629 33.604 76.057 1.00 63.12 C ATOM 1104 CZ2 TRP A 70 -4.234 34.203 76.974 1.00 62.41 C ATOM 1105 CZ3 TRP A 70 -1.915 33.689 77.406 1.00 34.32 C ATOM 1106 CH2 TRP A 70 -3.209 33.986 77.854 1.00 3.20 C ATOM 0 H TRP A 70 0.771 33.191 72.185 1.00 30.40 H new ATOM 0 HA TRP A 70 -0.926 31.995 74.074 1.00 23.31 H new ATOM 0 HB2 TRP A 70 -0.873 34.357 72.825 1.00 61.01 H new ATOM 0 HB3 TRP A 70 -1.986 33.557 71.733 1.00 61.01 H new ATOM 0 HD1 TRP A 70 -4.409 34.170 72.376 1.00 64.30 H new ATOM 0 HE1 TRP A 70 -5.755 34.510 74.558 1.00 13.52 H new ATOM 0 HE3 TRP A 70 -0.629 33.374 75.722 1.00 63.12 H new ATOM 0 HZ2 TRP A 70 -5.231 34.431 77.322 1.00 62.41 H new ATOM 0 HZ3 TRP A 70 -1.128 33.524 78.127 1.00 34.32 H new ATOM 0 HH2 TRP A 70 -3.401 34.045 78.915 1.00 3.20 H new ATOM 1117 N ALA A 71 -1.079 30.731 71.098 1.00 43.13 N ATOM 1118 CA ALA A 71 -1.666 29.670 70.288 1.00 15.21 C ATOM 1119 C ALA A 71 -2.041 28.468 71.148 1.00 32.52 C ATOM 1120 O ALA A 71 -3.117 27.890 70.990 1.00 21.11 O ATOM 1121 CB ALA A 71 -0.705 29.254 69.185 1.00 72.44 C ATOM 0 H ALA A 71 -0.243 31.155 70.696 1.00 43.13 H new ATOM 0 HA ALA A 71 -2.578 30.056 69.832 1.00 15.21 H new ATOM 0 HB1 ALA A 71 -1.157 28.461 68.589 1.00 72.44 H new ATOM 0 HB2 ALA A 71 -0.491 30.111 68.547 1.00 72.44 H new ATOM 0 HB3 ALA A 71 0.222 28.891 69.628 1.00 72.44 H new ATOM 1127 N LYS A 72 -1.147 28.094 72.056 1.00 14.41 N ATOM 1128 CA LYS A 72 -1.384 26.960 72.941 1.00 44.51 C ATOM 1129 C LYS A 72 -2.792 27.010 73.526 1.00 74.14 C ATOM 1130 O LYS A 72 -3.419 25.975 73.745 1.00 4.32 O ATOM 1131 CB LYS A 72 -0.352 26.945 74.072 1.00 22.12 C ATOM 1132 CG LYS A 72 1.085 26.881 73.582 1.00 54.13 C ATOM 1133 CD LYS A 72 1.380 25.563 72.887 1.00 2.24 C ATOM 1134 CE LYS A 72 1.072 25.637 71.399 1.00 22.35 C ATOM 1135 NZ LYS A 72 2.221 25.175 70.571 1.00 15.44 N ATOM 0 H LYS A 72 -0.251 28.560 72.199 1.00 14.41 H new ATOM 0 HA LYS A 72 -1.286 26.047 72.354 1.00 44.51 H new ATOM 0 HB2 LYS A 72 -0.480 27.840 74.681 1.00 22.12 H new ATOM 0 HB3 LYS A 72 -0.545 26.089 74.718 1.00 22.12 H new ATOM 0 HG2 LYS A 72 1.273 27.706 72.894 1.00 54.13 H new ATOM 0 HG3 LYS A 72 1.764 27.008 74.425 1.00 54.13 H new ATOM 0 HD2 LYS A 72 2.428 25.302 73.030 1.00 2.24 H new ATOM 0 HD3 LYS A 72 0.788 24.769 73.343 1.00 2.24 H new ATOM 0 HE2 LYS A 72 0.197 25.026 71.179 1.00 22.35 H new ATOM 0 HE3 LYS A 72 0.820 26.663 71.131 1.00 22.35 H new ATOM 0 HZ1 LYS A 72 1.971 25.241 69.564 1.00 15.44 H new ATOM 0 HZ2 LYS A 72 3.050 25.774 70.762 1.00 15.44 H new ATOM 0 HZ3 LYS A 72 2.445 24.188 70.808 1.00 15.44 H new ATOM 1149 N GLN A 73 -3.282 28.220 73.774 1.00 53.32 N ATOM 1150 CA GLN A 73 -4.616 28.404 74.332 1.00 34.21 C ATOM 1151 C GLN A 73 -5.632 27.519 73.617 1.00 52.33 C ATOM 1152 O GLN A 73 -6.261 26.657 74.231 1.00 55.30 O ATOM 1153 CB GLN A 73 -5.038 29.871 74.229 1.00 44.10 C ATOM 1154 CG GLN A 73 -4.442 30.754 75.314 1.00 24.14 C ATOM 1155 CD GLN A 73 -4.879 30.342 76.706 1.00 63.20 C ATOM 1156 OE1 GLN A 73 -5.853 30.869 77.244 1.00 34.52 O ATOM 1157 NE2 GLN A 73 -4.159 29.397 77.298 1.00 3.25 N ATOM 0 H GLN A 73 -2.775 29.087 73.597 1.00 53.32 H new ATOM 0 HA GLN A 73 -4.585 28.115 75.383 1.00 34.21 H new ATOM 0 HB2 GLN A 73 -4.742 30.258 73.254 1.00 44.10 H new ATOM 0 HB3 GLN A 73 -6.125 29.932 74.279 1.00 44.10 H new ATOM 0 HG2 GLN A 73 -3.354 30.715 75.252 1.00 24.14 H new ATOM 0 HG3 GLN A 73 -4.735 31.789 75.137 1.00 24.14 H new ATOM 0 HE21 GLN A 73 -3.359 28.987 76.815 1.00 3.25 H new ATOM 0 HE22 GLN A 73 -4.405 29.080 78.236 1.00 3.25 H new ATOM 1166 N HIS A 74 -5.788 27.739 72.316 1.00 23.25 N ATOM 1167 CA HIS A 74 -6.728 26.961 71.516 1.00 63.21 C ATOM 1168 C HIS A 74 -6.101 26.551 70.187 1.00 31.42 C ATOM 1169 O HIS A 74 -6.093 25.374 69.829 1.00 52.21 O ATOM 1170 CB HIS A 74 -8.004 27.764 71.265 1.00 53.51 C ATOM 1171 CG HIS A 74 -9.113 27.441 72.219 1.00 43.34 C ATOM 1172 ND1 HIS A 74 -9.371 28.183 73.352 1.00 11.42 N ATOM 1173 CD2 HIS A 74 -10.033 26.449 72.203 1.00 2.45 C ATOM 1174 CE1 HIS A 74 -10.401 27.660 73.993 1.00 33.34 C ATOM 1175 NE2 HIS A 74 -10.823 26.607 73.316 1.00 44.10 N ATOM 0 H HIS A 74 -5.276 28.449 71.793 1.00 23.25 H new ATOM 0 HA HIS A 74 -6.980 26.058 72.073 1.00 63.21 H new ATOM 0 HB2 HIS A 74 -7.774 28.827 71.335 1.00 53.51 H new ATOM 0 HB3 HIS A 74 -8.346 27.578 70.247 1.00 53.51 H new ATOM 0 HD2 HIS A 74 -10.129 25.676 71.454 1.00 2.45 H new ATOM 0 HE1 HIS A 74 -10.826 28.030 74.914 1.00 33.34 H new ATOM 0 HE2 HIS A 74 -11.607 26.009 73.577 1.00 44.10 H new ATOM 1183 N GLY A 75 -5.578 27.532 69.457 1.00 64.11 N ATOM 1184 CA GLY A 75 -4.957 27.254 68.176 1.00 21.24 C ATOM 1185 C GLY A 75 -5.888 27.525 67.009 1.00 54.12 C ATOM 1186 O GLY A 75 -5.440 27.710 65.878 1.00 64.43 O ATOM 0 H GLY A 75 -5.574 28.515 69.731 1.00 64.11 H new ATOM 0 HA2 GLY A 75 -4.060 27.864 68.070 1.00 21.24 H new ATOM 0 HA3 GLY A 75 -4.639 26.212 68.149 1.00 21.24 H new ATOM 1190 N THR A 76 -7.188 27.548 67.285 1.00 21.23 N ATOM 1191 CA THR A 76 -8.184 27.796 66.250 1.00 10.22 C ATOM 1192 C THR A 76 -8.426 29.289 66.067 1.00 71.32 C ATOM 1193 O THR A 76 -8.342 29.825 64.962 1.00 31.21 O ATOM 1194 CB THR A 76 -9.521 27.108 66.582 1.00 34.03 C ATOM 1195 OG1 THR A 76 -10.547 28.091 66.763 1.00 51.20 O ATOM 1196 CG2 THR A 76 -9.397 26.260 67.839 1.00 4.04 C ATOM 0 H THR A 76 -7.576 27.398 68.216 1.00 21.23 H new ATOM 0 HA THR A 76 -7.789 27.379 65.324 1.00 10.22 H new ATOM 0 HB THR A 76 -9.785 26.457 65.749 1.00 34.03 H new ATOM 0 HG1 THR A 76 -11.394 27.645 66.972 1.00 51.20 H new ATOM 0 HG21 THR A 76 -10.354 25.784 68.053 1.00 4.04 H new ATOM 0 HG22 THR A 76 -8.637 25.494 67.687 1.00 4.04 H new ATOM 0 HG23 THR A 76 -9.111 26.894 68.679 1.00 4.04 H new ATOM 1204 N PRO A 77 -8.734 29.981 67.175 1.00 21.42 N ATOM 1205 CA PRO A 77 -8.993 31.423 67.161 1.00 62.21 C ATOM 1206 C PRO A 77 -7.733 32.237 66.886 1.00 0.21 C ATOM 1207 O PRO A 77 -7.785 33.348 66.359 1.00 30.10 O ATOM 1208 CB PRO A 77 -9.512 31.703 68.574 1.00 70.33 C ATOM 1209 CG PRO A 77 -8.931 30.618 69.413 1.00 31.12 C ATOM 1210 CD PRO A 77 -8.852 29.406 68.525 1.00 53.04 C ATOM 0 HA PRO A 77 -9.690 31.704 66.371 1.00 62.21 H new ATOM 0 HB2 PRO A 77 -9.197 32.686 68.924 1.00 70.33 H new ATOM 0 HB3 PRO A 77 -10.601 31.688 68.606 1.00 70.33 H new ATOM 0 HG2 PRO A 77 -7.944 30.896 69.782 1.00 31.12 H new ATOM 0 HG3 PRO A 77 -9.555 30.423 70.285 1.00 31.12 H new ATOM 0 HD2 PRO A 77 -7.994 28.782 68.772 1.00 53.04 H new ATOM 0 HD3 PRO A 77 -9.739 28.780 68.619 1.00 53.04 H new ATOM 1218 N PRO A 78 -6.572 31.671 67.249 1.00 40.15 N ATOM 1219 CA PRO A 78 -5.276 32.327 67.049 1.00 10.31 C ATOM 1220 C PRO A 78 -4.888 32.408 65.577 1.00 32.22 C ATOM 1221 O PRO A 78 -4.286 31.483 65.030 1.00 64.45 O ATOM 1222 CB PRO A 78 -4.301 31.424 67.810 1.00 4.23 C ATOM 1223 CG PRO A 78 -4.955 30.085 67.823 1.00 35.41 C ATOM 1224 CD PRO A 78 -6.435 30.349 67.882 1.00 12.13 C ATOM 0 HA PRO A 78 -5.284 33.360 67.398 1.00 10.31 H new ATOM 0 HB2 PRO A 78 -3.330 31.385 67.316 1.00 4.23 H new ATOM 0 HB3 PRO A 78 -4.130 31.791 68.822 1.00 4.23 H new ATOM 0 HG2 PRO A 78 -4.695 29.515 66.931 1.00 35.41 H new ATOM 0 HG3 PRO A 78 -4.628 29.499 68.682 1.00 35.41 H new ATOM 0 HD2 PRO A 78 -7.001 29.587 67.346 1.00 12.13 H new ATOM 0 HD3 PRO A 78 -6.801 30.355 68.909 1.00 12.13 H new ATOM 1232 N THR A 79 -5.238 33.521 64.938 1.00 44.31 N ATOM 1233 CA THR A 79 -4.927 33.723 63.529 1.00 43.12 C ATOM 1234 C THR A 79 -4.670 35.195 63.228 1.00 2.13 C ATOM 1235 O THR A 79 -5.135 36.076 63.950 1.00 53.31 O ATOM 1236 CB THR A 79 -6.066 33.217 62.624 1.00 71.02 C ATOM 1237 OG1 THR A 79 -6.397 31.865 62.963 1.00 64.33 O ATOM 1238 CG2 THR A 79 -5.668 33.295 61.158 1.00 32.33 C ATOM 0 H THR A 79 -5.737 34.296 65.375 1.00 44.31 H new ATOM 0 HA THR A 79 -4.024 33.149 63.319 1.00 43.12 H new ATOM 0 HB THR A 79 -6.936 33.854 62.782 1.00 71.02 H new ATOM 0 HG1 THR A 79 -7.123 31.551 62.384 1.00 64.33 H new ATOM 0 HG21 THR A 79 -6.488 32.932 60.539 1.00 32.33 H new ATOM 0 HG22 THR A 79 -5.445 34.329 60.896 1.00 32.33 H new ATOM 0 HG23 THR A 79 -4.785 32.679 60.987 1.00 32.33 H new ATOM 1246 N ALA A 80 -3.928 35.454 62.156 1.00 72.04 N ATOM 1247 CA ALA A 80 -3.613 36.821 61.758 1.00 42.44 C ATOM 1248 C ALA A 80 -4.855 37.703 61.791 1.00 64.51 C ATOM 1249 O ALA A 80 -4.757 38.929 61.857 1.00 5.41 O ATOM 1250 CB ALA A 80 -2.987 36.836 60.371 1.00 20.02 C ATOM 0 H ALA A 80 -3.534 34.736 61.548 1.00 72.04 H new ATOM 0 HA ALA A 80 -2.895 37.225 62.472 1.00 42.44 H new ATOM 0 HB1 ALA A 80 -2.757 37.863 60.087 1.00 20.02 H new ATOM 0 HB2 ALA A 80 -2.069 36.248 60.380 1.00 20.02 H new ATOM 0 HB3 ALA A 80 -3.686 36.408 59.652 1.00 20.02 H new ATOM 1256 N SER A 81 -6.025 37.072 61.743 1.00 61.13 N ATOM 1257 CA SER A 81 -7.287 37.802 61.762 1.00 2.53 C ATOM 1258 C SER A 81 -7.659 38.207 63.185 1.00 12.40 C ATOM 1259 O SER A 81 -8.192 39.293 63.414 1.00 2.25 O ATOM 1260 CB SER A 81 -8.402 36.947 61.155 1.00 11.05 C ATOM 1261 OG SER A 81 -9.579 37.712 60.957 1.00 4.53 O ATOM 0 H SER A 81 -6.124 36.058 61.691 1.00 61.13 H new ATOM 0 HA SER A 81 -7.165 38.706 61.166 1.00 2.53 H new ATOM 0 HB2 SER A 81 -8.070 36.532 60.204 1.00 11.05 H new ATOM 0 HB3 SER A 81 -8.618 36.105 61.812 1.00 11.05 H new ATOM 0 HG SER A 81 -10.276 37.144 60.567 1.00 4.53 H new ATOM 1267 N ASP A 82 -7.374 37.327 64.138 1.00 2.54 N ATOM 1268 CA ASP A 82 -7.676 37.592 65.540 1.00 24.32 C ATOM 1269 C ASP A 82 -6.491 38.252 66.236 1.00 42.34 C ATOM 1270 O ASP A 82 -6.621 39.326 66.822 1.00 55.11 O ATOM 1271 CB ASP A 82 -8.048 36.293 66.259 1.00 23.44 C ATOM 1272 CG ASP A 82 -9.226 35.590 65.612 1.00 62.25 C ATOM 1273 OD1 ASP A 82 -9.007 34.837 64.640 1.00 64.54 O ATOM 1274 OD2 ASP A 82 -10.365 35.793 66.079 1.00 30.24 O ATOM 0 H ASP A 82 -6.934 36.423 63.965 1.00 2.54 H new ATOM 0 HA ASP A 82 -8.524 38.276 65.580 1.00 24.32 H new ATOM 0 HB2 ASP A 82 -7.187 35.624 66.263 1.00 23.44 H new ATOM 0 HB3 ASP A 82 -8.286 36.513 67.300 1.00 23.44 H new ATOM 1279 N VAL A 83 -5.334 37.601 66.169 1.00 43.55 N ATOM 1280 CA VAL A 83 -4.124 38.124 66.793 1.00 4.34 C ATOM 1281 C VAL A 83 -3.951 39.608 66.494 1.00 71.24 C ATOM 1282 O VAL A 83 -3.526 40.380 67.354 1.00 40.04 O ATOM 1283 CB VAL A 83 -2.872 37.366 66.314 1.00 2.43 C ATOM 1284 CG1 VAL A 83 -1.614 37.991 66.895 1.00 54.55 C ATOM 1285 CG2 VAL A 83 -2.967 35.893 66.687 1.00 10.12 C ATOM 0 H VAL A 83 -5.209 36.710 65.689 1.00 43.55 H new ATOM 0 HA VAL A 83 -4.235 37.982 67.868 1.00 4.34 H new ATOM 0 HB VAL A 83 -2.817 37.440 65.228 1.00 2.43 H new ATOM 0 HG11 VAL A 83 -0.740 37.442 66.545 1.00 54.55 H new ATOM 0 HG12 VAL A 83 -1.542 39.030 66.574 1.00 54.55 H new ATOM 0 HG13 VAL A 83 -1.657 37.950 67.983 1.00 54.55 H new ATOM 0 HG21 VAL A 83 -2.074 35.372 66.341 1.00 10.12 H new ATOM 0 HG22 VAL A 83 -3.047 35.796 67.770 1.00 10.12 H new ATOM 0 HG23 VAL A 83 -3.848 35.455 66.217 1.00 10.12 H new ATOM 1295 N VAL A 84 -4.283 40.004 65.269 1.00 44.12 N ATOM 1296 CA VAL A 84 -4.164 41.397 64.857 1.00 24.35 C ATOM 1297 C VAL A 84 -4.754 42.333 65.906 1.00 3.41 C ATOM 1298 O VAL A 84 -4.270 43.447 66.102 1.00 11.15 O ATOM 1299 CB VAL A 84 -4.869 41.645 63.509 1.00 1.34 C ATOM 1300 CG1 VAL A 84 -6.227 40.958 63.482 1.00 71.25 C ATOM 1301 CG2 VAL A 84 -5.011 43.136 63.250 1.00 74.14 C ATOM 0 H VAL A 84 -4.637 39.379 64.545 1.00 44.12 H new ATOM 0 HA VAL A 84 -3.100 41.605 64.747 1.00 24.35 H new ATOM 0 HB VAL A 84 -4.257 41.218 62.714 1.00 1.34 H new ATOM 0 HG11 VAL A 84 -6.710 41.144 62.523 1.00 71.25 H new ATOM 0 HG12 VAL A 84 -6.095 39.885 63.619 1.00 71.25 H new ATOM 0 HG13 VAL A 84 -6.850 41.352 64.285 1.00 71.25 H new ATOM 0 HG21 VAL A 84 -5.511 43.293 62.294 1.00 74.14 H new ATOM 0 HG22 VAL A 84 -5.601 43.589 64.047 1.00 74.14 H new ATOM 0 HG23 VAL A 84 -4.023 43.596 63.223 1.00 74.14 H new ATOM 1311 N GLY A 85 -5.804 41.871 66.580 1.00 61.32 N ATOM 1312 CA GLY A 85 -6.443 42.679 67.602 1.00 43.41 C ATOM 1313 C GLY A 85 -6.993 41.844 68.741 1.00 43.13 C ATOM 1314 O GLY A 85 -7.815 42.317 69.525 1.00 51.34 O ATOM 0 H GLY A 85 -6.223 40.952 66.436 1.00 61.32 H new ATOM 0 HA2 GLY A 85 -5.723 43.397 67.996 1.00 43.41 H new ATOM 0 HA3 GLY A 85 -7.253 43.254 67.153 1.00 43.41 H new ATOM 1318 N MET A 86 -6.539 40.598 68.833 1.00 61.41 N ATOM 1319 CA MET A 86 -6.991 39.696 69.885 1.00 21.13 C ATOM 1320 C MET A 86 -6.390 40.084 71.231 1.00 40.22 C ATOM 1321 O MET A 86 -7.083 40.179 72.244 1.00 41.13 O ATOM 1322 CB MET A 86 -6.617 38.252 69.543 1.00 3.41 C ATOM 1323 CG MET A 86 -6.773 37.292 70.712 1.00 22.15 C ATOM 1324 SD MET A 86 -6.799 35.565 70.192 1.00 61.22 S ATOM 1325 CE MET A 86 -5.087 35.329 69.720 1.00 4.03 C ATOM 0 H MET A 86 -5.859 40.191 68.192 1.00 61.41 H new ATOM 0 HA MET A 86 -8.076 39.776 69.956 1.00 21.13 H new ATOM 0 HB2 MET A 86 -7.240 37.910 68.716 1.00 3.41 H new ATOM 0 HB3 MET A 86 -5.584 38.225 69.196 1.00 3.41 H new ATOM 0 HG2 MET A 86 -5.953 37.444 71.414 1.00 22.15 H new ATOM 0 HG3 MET A 86 -7.696 37.521 71.245 1.00 22.15 H new ATOM 0 HE1 MET A 86 -4.922 34.284 69.459 1.00 4.03 H new ATOM 0 HE2 MET A 86 -4.857 35.958 68.860 1.00 4.03 H new ATOM 0 HE3 MET A 86 -4.439 35.601 70.553 1.00 4.03 H new ATOM 1335 N PRO A 87 -5.069 40.315 71.245 1.00 62.34 N ATOM 1336 CA PRO A 87 -4.345 40.699 72.461 1.00 4.40 C ATOM 1337 C PRO A 87 -4.696 42.108 72.925 1.00 44.41 C ATOM 1338 O PRO A 87 -5.696 42.681 72.496 1.00 24.42 O ATOM 1339 CB PRO A 87 -2.875 40.626 72.037 1.00 1.45 C ATOM 1340 CG PRO A 87 -2.896 40.835 70.562 1.00 4.23 C ATOM 1341 CD PRO A 87 -4.179 40.222 70.075 1.00 31.12 C ATOM 0 HA PRO A 87 -4.593 40.053 73.303 1.00 4.40 H new ATOM 0 HB2 PRO A 87 -2.280 41.391 72.537 1.00 1.45 H new ATOM 0 HB3 PRO A 87 -2.436 39.662 72.294 1.00 1.45 H new ATOM 0 HG2 PRO A 87 -2.853 41.896 70.318 1.00 4.23 H new ATOM 0 HG3 PRO A 87 -2.034 40.364 70.089 1.00 4.23 H new ATOM 0 HD2 PRO A 87 -4.583 40.763 69.219 1.00 31.12 H new ATOM 0 HD3 PRO A 87 -4.036 39.188 69.760 1.00 31.12 H new ATOM 1349 N GLN A 88 -3.865 42.661 73.803 1.00 10.50 N ATOM 1350 CA GLN A 88 -4.090 44.003 74.326 1.00 70.34 C ATOM 1351 C GLN A 88 -3.764 45.058 73.273 1.00 25.24 C ATOM 1352 O GLN A 88 -4.591 45.915 72.963 1.00 64.21 O ATOM 1353 CB GLN A 88 -3.240 44.236 75.577 1.00 43.03 C ATOM 1354 CG GLN A 88 -1.760 43.962 75.366 1.00 63.21 C ATOM 1355 CD GLN A 88 -1.089 43.398 76.603 1.00 23.31 C ATOM 1356 OE1 GLN A 88 -0.927 42.184 76.736 1.00 62.15 O ATOM 1357 NE2 GLN A 88 -0.695 44.277 77.517 1.00 20.04 N ATOM 0 H GLN A 88 -3.031 42.201 74.167 1.00 10.50 H new ATOM 0 HA GLN A 88 -5.144 44.091 74.590 1.00 70.34 H new ATOM 0 HB2 GLN A 88 -3.367 45.268 75.905 1.00 43.03 H new ATOM 0 HB3 GLN A 88 -3.608 43.598 76.380 1.00 43.03 H new ATOM 0 HG2 GLN A 88 -1.638 43.261 74.540 1.00 63.21 H new ATOM 0 HG3 GLN A 88 -1.261 44.887 75.076 1.00 63.21 H new ATOM 0 HE21 GLN A 88 -0.849 45.274 77.366 1.00 20.04 H new ATOM 0 HE22 GLN A 88 -0.238 43.955 78.370 1.00 20.04 H new ATOM 1366 N TRP A 89 -2.555 44.989 72.728 1.00 21.24 N ATOM 1367 CA TRP A 89 -2.120 45.938 71.709 1.00 2.22 C ATOM 1368 C TRP A 89 -3.232 46.201 70.700 1.00 23.44 C ATOM 1369 O TRP A 89 -3.240 47.231 70.027 1.00 43.21 O ATOM 1370 CB TRP A 89 -0.876 45.414 70.991 1.00 42.51 C ATOM 1371 CG TRP A 89 -1.193 44.570 69.793 1.00 63.53 C ATOM 1372 CD1 TRP A 89 -1.905 44.948 68.691 1.00 63.24 C ATOM 1373 CD2 TRP A 89 -0.809 43.208 69.579 1.00 32.42 C ATOM 1374 NE1 TRP A 89 -1.988 43.902 67.803 1.00 51.11 N ATOM 1375 CE2 TRP A 89 -1.323 42.824 68.324 1.00 1.52 C ATOM 1376 CE3 TRP A 89 -0.081 42.275 70.322 1.00 53.12 C ATOM 1377 CZ2 TRP A 89 -1.131 41.548 67.801 1.00 30.14 C ATOM 1378 CZ3 TRP A 89 0.107 41.010 69.801 1.00 45.34 C ATOM 1379 CH2 TRP A 89 -0.415 40.655 68.550 1.00 41.33 C ATOM 0 H TRP A 89 -1.858 44.286 72.974 1.00 21.24 H new ATOM 0 HA TRP A 89 -1.875 46.877 72.205 1.00 2.22 H new ATOM 0 HB2 TRP A 89 -0.262 46.259 70.679 1.00 42.51 H new ATOM 0 HB3 TRP A 89 -0.280 44.829 71.692 1.00 42.51 H new ATOM 0 HD1 TRP A 89 -2.339 45.925 68.539 1.00 63.24 H new ATOM 0 HE1 TRP A 89 -2.467 43.925 66.903 1.00 51.11 H new ATOM 0 HE3 TRP A 89 0.327 42.538 71.286 1.00 53.12 H new ATOM 0 HZ2 TRP A 89 -1.533 41.273 66.837 1.00 30.14 H new ATOM 0 HZ3 TRP A 89 0.667 40.281 70.368 1.00 45.34 H new ATOM 0 HH2 TRP A 89 -0.249 39.658 68.170 1.00 41.33 H new ATOM 1390 N GLN A 90 -4.169 45.263 70.600 1.00 44.12 N ATOM 1391 CA GLN A 90 -5.285 45.395 69.671 1.00 11.42 C ATOM 1392 C GLN A 90 -5.857 46.808 69.704 1.00 10.22 C ATOM 1393 O GLN A 90 -6.132 47.400 68.661 1.00 35.12 O ATOM 1394 CB GLN A 90 -6.380 44.381 70.011 1.00 22.45 C ATOM 1395 CG GLN A 90 -7.140 44.710 71.285 1.00 54.21 C ATOM 1396 CD GLN A 90 -8.205 45.768 71.073 1.00 71.11 C ATOM 1397 OE1 GLN A 90 -8.509 46.141 69.940 1.00 22.21 O ATOM 1398 NE2 GLN A 90 -8.777 46.258 72.167 1.00 74.52 N ATOM 0 H GLN A 90 -4.177 44.404 71.150 1.00 44.12 H new ATOM 0 HA GLN A 90 -4.914 45.197 68.665 1.00 11.42 H new ATOM 0 HB2 GLN A 90 -7.085 44.328 69.181 1.00 22.45 H new ATOM 0 HB3 GLN A 90 -5.930 43.393 70.111 1.00 22.45 H new ATOM 0 HG2 GLN A 90 -7.606 43.803 71.670 1.00 54.21 H new ATOM 0 HG3 GLN A 90 -6.437 45.054 72.044 1.00 54.21 H new ATOM 0 HE21 GLN A 90 -8.493 45.919 73.086 1.00 74.52 H new ATOM 0 HE22 GLN A 90 -9.500 46.973 72.088 1.00 74.52 H new ATOM 1407 N GLU A 91 -6.032 47.343 70.909 1.00 70.43 N ATOM 1408 CA GLU A 91 -6.572 48.687 71.075 1.00 53.32 C ATOM 1409 C GLU A 91 -5.474 49.736 70.926 1.00 33.53 C ATOM 1410 O GLU A 91 -5.690 50.796 70.336 1.00 31.40 O ATOM 1411 CB GLU A 91 -7.242 48.825 72.444 1.00 43.43 C ATOM 1412 CG GLU A 91 -8.610 49.484 72.390 1.00 61.32 C ATOM 1413 CD GLU A 91 -9.367 49.368 73.698 1.00 44.13 C ATOM 1414 OE1 GLU A 91 -9.205 50.258 74.559 1.00 41.43 O ATOM 1415 OE2 GLU A 91 -10.121 48.386 73.861 1.00 34.20 O ATOM 0 H GLU A 91 -5.808 46.867 71.783 1.00 70.43 H new ATOM 0 HA GLU A 91 -7.316 48.852 70.296 1.00 53.32 H new ATOM 0 HB2 GLU A 91 -7.342 47.836 72.891 1.00 43.43 H new ATOM 0 HB3 GLU A 91 -6.594 49.407 73.099 1.00 43.43 H new ATOM 0 HG2 GLU A 91 -8.492 50.537 72.136 1.00 61.32 H new ATOM 0 HG3 GLU A 91 -9.197 49.028 71.593 1.00 61.32 H new ATOM 1422 N TYR A 92 -4.298 49.436 71.465 1.00 22.05 N ATOM 1423 CA TYR A 92 -3.167 50.353 71.394 1.00 10.35 C ATOM 1424 C TYR A 92 -2.762 50.607 69.946 1.00 61.31 C ATOM 1425 O TYR A 92 -2.851 51.731 69.451 1.00 23.52 O ATOM 1426 CB TYR A 92 -1.979 49.793 72.178 1.00 33.34 C ATOM 1427 CG TYR A 92 -2.232 49.681 73.664 1.00 15.33 C ATOM 1428 CD1 TYR A 92 -2.933 48.602 74.191 1.00 70.54 C ATOM 1429 CD2 TYR A 92 -1.774 50.655 74.542 1.00 74.25 C ATOM 1430 CE1 TYR A 92 -3.167 48.496 75.548 1.00 62.22 C ATOM 1431 CE2 TYR A 92 -2.003 50.557 75.901 1.00 0.24 C ATOM 1432 CZ TYR A 92 -2.699 49.476 76.399 1.00 31.25 C ATOM 1433 OH TYR A 92 -2.931 49.375 77.752 1.00 4.21 O ATOM 0 H TYR A 92 -4.103 48.564 71.957 1.00 22.05 H new ATOM 0 HA TYR A 92 -3.472 51.301 71.838 1.00 10.35 H new ATOM 0 HB2 TYR A 92 -1.728 48.808 71.786 1.00 33.34 H new ATOM 0 HB3 TYR A 92 -1.112 50.432 72.013 1.00 33.34 H new ATOM 0 HD1 TYR A 92 -3.301 47.833 73.528 1.00 70.54 H new ATOM 0 HD2 TYR A 92 -1.229 51.504 74.156 1.00 74.25 H new ATOM 0 HE1 TYR A 92 -3.713 47.651 75.941 1.00 62.22 H new ATOM 0 HE2 TYR A 92 -1.639 51.323 76.570 1.00 0.24 H new ATOM 0 HH TYR A 92 -2.535 50.145 78.210 1.00 4.21 H new ATOM 1443 N THR A 93 -2.315 49.553 69.269 1.00 13.25 N ATOM 1444 CA THR A 93 -1.894 49.659 67.879 1.00 34.42 C ATOM 1445 C THR A 93 -2.881 50.493 67.068 1.00 51.23 C ATOM 1446 O THR A 93 -2.495 51.186 66.127 1.00 35.33 O ATOM 1447 CB THR A 93 -1.755 48.271 67.225 1.00 52.22 C ATOM 1448 OG1 THR A 93 -1.012 48.377 66.006 1.00 2.34 O ATOM 1449 CG2 THR A 93 -3.122 47.668 66.943 1.00 25.33 C ATOM 0 H THR A 93 -2.236 48.615 69.663 1.00 13.25 H new ATOM 0 HA THR A 93 -0.921 50.150 67.881 1.00 34.42 H new ATOM 0 HB THR A 93 -1.224 47.618 67.917 1.00 52.22 H new ATOM 0 HG1 THR A 93 -0.093 48.653 66.206 1.00 2.34 H new ATOM 0 HG21 THR A 93 -2.999 46.688 66.481 1.00 25.33 H new ATOM 0 HG22 THR A 93 -3.673 47.562 67.878 1.00 25.33 H new ATOM 0 HG23 THR A 93 -3.675 48.321 66.268 1.00 25.33 H new ATOM 1457 N ALA A 94 -4.155 50.422 67.440 1.00 43.25 N ATOM 1458 CA ALA A 94 -5.195 51.172 66.749 1.00 54.20 C ATOM 1459 C ALA A 94 -5.260 52.611 67.251 1.00 2.15 C ATOM 1460 O ALA A 94 -5.364 53.549 66.462 1.00 35.25 O ATOM 1461 CB ALA A 94 -6.544 50.489 66.925 1.00 5.40 C ATOM 0 H ALA A 94 -4.491 49.852 68.216 1.00 43.25 H new ATOM 0 HA ALA A 94 -4.947 51.195 65.688 1.00 54.20 H new ATOM 0 HB1 ALA A 94 -7.312 51.060 66.403 1.00 5.40 H new ATOM 0 HB2 ALA A 94 -6.498 49.481 66.512 1.00 5.40 H new ATOM 0 HB3 ALA A 94 -6.789 50.436 67.986 1.00 5.40 H new ATOM 1467 N MET A 95 -5.199 52.776 68.568 1.00 53.43 N ATOM 1468 CA MET A 95 -5.250 54.101 69.175 1.00 40.24 C ATOM 1469 C MET A 95 -4.369 55.084 68.410 1.00 14.01 C ATOM 1470 O MET A 95 -4.571 56.297 68.476 1.00 14.41 O ATOM 1471 CB MET A 95 -4.807 54.033 70.638 1.00 33.52 C ATOM 1472 CG MET A 95 -5.954 54.166 71.627 1.00 71.50 C ATOM 1473 SD MET A 95 -5.389 54.273 73.335 1.00 10.32 S ATOM 1474 CE MET A 95 -6.276 55.724 73.897 1.00 1.33 C ATOM 0 H MET A 95 -5.114 52.009 69.235 1.00 53.43 H new ATOM 0 HA MET A 95 -6.280 54.454 69.131 1.00 40.24 H new ATOM 0 HB2 MET A 95 -4.297 53.085 70.811 1.00 33.52 H new ATOM 0 HB3 MET A 95 -4.082 54.824 70.827 1.00 33.52 H new ATOM 0 HG2 MET A 95 -6.536 55.055 71.385 1.00 71.50 H new ATOM 0 HG3 MET A 95 -6.620 53.310 71.522 1.00 71.50 H new ATOM 0 HE1 MET A 95 -6.029 55.920 74.941 1.00 1.33 H new ATOM 0 HE2 MET A 95 -5.991 56.583 73.290 1.00 1.33 H new ATOM 0 HE3 MET A 95 -7.349 55.554 73.803 1.00 1.33 H new ATOM 1484 N LEU A 96 -3.392 54.553 67.683 1.00 52.22 N ATOM 1485 CA LEU A 96 -2.479 55.384 66.905 1.00 3.43 C ATOM 1486 C LEU A 96 -3.160 55.908 65.645 1.00 3.53 C ATOM 1487 O LEU A 96 -3.208 57.115 65.409 1.00 13.52 O ATOM 1488 CB LEU A 96 -1.228 54.588 66.530 1.00 20.34 C ATOM 1489 CG LEU A 96 -0.770 53.540 67.544 1.00 4.24 C ATOM 1490 CD1 LEU A 96 0.602 53.000 67.171 1.00 5.34 C ATOM 1491 CD2 LEU A 96 -0.750 54.128 68.947 1.00 41.12 C ATOM 0 H LEU A 96 -3.212 53.551 67.616 1.00 52.22 H new ATOM 0 HA LEU A 96 -2.189 56.236 67.520 1.00 3.43 H new ATOM 0 HB2 LEU A 96 -1.411 54.088 65.579 1.00 20.34 H new ATOM 0 HB3 LEU A 96 -0.410 55.290 66.369 1.00 20.34 H new ATOM 0 HG LEU A 96 -1.480 52.713 67.528 1.00 4.24 H new ATOM 0 HD11 LEU A 96 0.912 52.255 67.904 1.00 5.34 H new ATOM 0 HD12 LEU A 96 0.556 52.540 66.184 1.00 5.34 H new ATOM 0 HD13 LEU A 96 1.323 53.817 67.157 1.00 5.34 H new ATOM 0 HD21 LEU A 96 -0.422 53.368 69.656 1.00 41.12 H new ATOM 0 HD22 LEU A 96 -0.063 54.973 68.977 1.00 41.12 H new ATOM 0 HD23 LEU A 96 -1.752 54.465 69.215 1.00 41.12 H new ATOM 1503 N ARG A 97 -3.686 54.992 64.839 1.00 2.55 N ATOM 1504 CA ARG A 97 -4.366 55.360 63.603 1.00 62.25 C ATOM 1505 C ARG A 97 -5.797 55.806 63.882 1.00 72.51 C ATOM 1506 O ARG A 97 -6.231 56.859 63.416 1.00 75.54 O ATOM 1507 CB ARG A 97 -4.368 54.183 62.625 1.00 54.23 C ATOM 1508 CG ARG A 97 -4.988 52.918 63.197 1.00 72.44 C ATOM 1509 CD ARG A 97 -4.299 51.672 62.666 1.00 21.11 C ATOM 1510 NE ARG A 97 -5.173 50.893 61.793 1.00 63.15 N ATOM 1511 CZ ARG A 97 -4.730 49.980 60.935 1.00 34.24 C ATOM 1512 NH1 ARG A 97 -3.432 49.732 60.837 1.00 54.12 N ATOM 1513 NH2 ARG A 97 -5.588 49.312 60.174 1.00 73.23 N ATOM 0 H ARG A 97 -3.654 53.989 65.020 1.00 2.55 H new ATOM 0 HA ARG A 97 -3.825 56.193 63.155 1.00 62.25 H new ATOM 0 HB2 ARG A 97 -4.912 54.470 61.725 1.00 54.23 H new ATOM 0 HB3 ARG A 97 -3.342 53.971 62.323 1.00 54.23 H new ATOM 0 HG2 ARG A 97 -4.920 52.938 64.285 1.00 72.44 H new ATOM 0 HG3 ARG A 97 -6.048 52.885 62.945 1.00 72.44 H new ATOM 0 HD2 ARG A 97 -3.402 51.960 62.118 1.00 21.11 H new ATOM 0 HD3 ARG A 97 -3.976 51.052 63.502 1.00 21.11 H new ATOM 0 HE ARG A 97 -6.178 51.059 61.845 1.00 63.15 H new ATOM 0 HH11 ARG A 97 -2.770 50.242 61.421 1.00 54.12 H new ATOM 0 HH12 ARG A 97 -3.095 49.031 60.177 1.00 54.12 H new ATOM 0 HH21 ARG A 97 -6.588 49.499 60.248 1.00 73.23 H new ATOM 0 HH22 ARG A 97 -5.247 48.611 59.516 1.00 73.23 H new ATOM 1527 N GLU A 98 -6.526 54.997 64.644 1.00 13.30 N ATOM 1528 CA GLU A 98 -7.910 55.309 64.983 1.00 43.41 C ATOM 1529 C GLU A 98 -8.003 56.648 65.710 1.00 23.43 C ATOM 1530 O GLU A 98 -8.757 57.533 65.305 1.00 12.30 O ATOM 1531 CB GLU A 98 -8.506 54.201 65.855 1.00 21.12 C ATOM 1532 CG GLU A 98 -9.912 54.503 66.345 1.00 21.13 C ATOM 1533 CD GLU A 98 -10.692 53.249 66.686 1.00 15.51 C ATOM 1534 OE1 GLU A 98 -10.208 52.457 67.521 1.00 44.20 O ATOM 1535 OE2 GLU A 98 -11.790 53.060 66.119 1.00 44.15 O ATOM 0 H GLU A 98 -6.182 54.121 65.038 1.00 13.30 H new ATOM 0 HA GLU A 98 -8.478 55.378 64.055 1.00 43.41 H new ATOM 0 HB2 GLU A 98 -8.520 53.271 65.287 1.00 21.12 H new ATOM 0 HB3 GLU A 98 -7.857 54.039 66.716 1.00 21.12 H new ATOM 0 HG2 GLU A 98 -9.856 55.143 67.226 1.00 21.13 H new ATOM 0 HG3 GLU A 98 -10.448 55.062 65.578 1.00 21.13 H new ATOM 1542 N ARG A 99 -7.233 56.788 66.783 1.00 43.41 N ATOM 1543 CA ARG A 99 -7.230 58.018 67.566 1.00 1.43 C ATOM 1544 C ARG A 99 -6.059 58.911 67.170 1.00 71.55 C ATOM 1545 O ARG A 99 -5.631 59.771 67.942 1.00 1.45 O ATOM 1546 CB ARG A 99 -7.157 57.695 69.060 1.00 55.33 C ATOM 1547 CG ARG A 99 -7.774 58.766 69.945 1.00 5.22 C ATOM 1548 CD ARG A 99 -9.252 58.503 70.189 1.00 73.42 C ATOM 1549 NE ARG A 99 -9.465 57.452 71.181 1.00 50.11 N ATOM 1550 CZ ARG A 99 -10.611 57.276 71.830 1.00 4.51 C ATOM 1551 NH1 ARG A 99 -11.641 58.075 71.593 1.00 65.22 N ATOM 1552 NH2 ARG A 99 -10.727 56.297 72.718 1.00 43.15 N ATOM 0 H ARG A 99 -6.603 56.065 67.131 1.00 43.41 H new ATOM 0 HA ARG A 99 -8.157 58.553 67.361 1.00 1.43 H new ATOM 0 HB2 ARG A 99 -7.664 56.748 69.244 1.00 55.33 H new ATOM 0 HB3 ARG A 99 -6.113 57.558 69.343 1.00 55.33 H new ATOM 0 HG2 ARG A 99 -7.247 58.800 70.899 1.00 5.22 H new ATOM 0 HG3 ARG A 99 -7.649 59.743 69.477 1.00 5.22 H new ATOM 0 HD2 ARG A 99 -9.733 59.422 70.525 1.00 73.42 H new ATOM 0 HD3 ARG A 99 -9.729 58.218 69.251 1.00 73.42 H new ATOM 0 HE ARG A 99 -8.692 56.819 71.387 1.00 50.11 H new ATOM 0 HH11 ARG A 99 -11.556 58.828 70.910 1.00 65.22 H new ATOM 0 HH12 ARG A 99 -12.519 57.937 72.093 1.00 65.22 H new ATOM 0 HH21 ARG A 99 -9.936 55.679 72.902 1.00 43.15 H new ATOM 0 HH22 ARG A 99 -11.607 56.162 73.216 1.00 43.15 H new ATOM 1566 N PHE A 100 -5.545 58.704 65.963 1.00 63.12 N ATOM 1567 CA PHE A 100 -4.422 59.490 65.464 1.00 21.14 C ATOM 1568 C PHE A 100 -4.668 60.982 65.673 1.00 44.31 C ATOM 1569 O PHE A 100 -3.734 61.784 65.654 1.00 11.13 O ATOM 1570 CB PHE A 100 -4.191 59.203 63.979 1.00 14.35 C ATOM 1571 CG PHE A 100 -4.979 60.098 63.065 1.00 0.25 C ATOM 1572 CD1 PHE A 100 -6.314 59.839 62.802 1.00 12.13 C ATOM 1573 CD2 PHE A 100 -4.384 61.199 62.470 1.00 42.41 C ATOM 1574 CE1 PHE A 100 -7.043 60.660 61.962 1.00 50.24 C ATOM 1575 CE2 PHE A 100 -5.107 62.024 61.630 1.00 23.12 C ATOM 1576 CZ PHE A 100 -6.437 61.754 61.375 1.00 33.04 C ATOM 0 H PHE A 100 -5.888 57.998 65.311 1.00 63.12 H new ATOM 0 HA PHE A 100 -3.532 59.204 66.025 1.00 21.14 H new ATOM 0 HB2 PHE A 100 -3.130 59.314 63.757 1.00 14.35 H new ATOM 0 HB3 PHE A 100 -4.453 58.165 63.773 1.00 14.35 H new ATOM 0 HD1 PHE A 100 -6.791 58.985 63.259 1.00 12.13 H new ATOM 0 HD2 PHE A 100 -3.344 61.415 62.665 1.00 42.41 H new ATOM 0 HE1 PHE A 100 -8.083 60.447 61.765 1.00 50.24 H new ATOM 0 HE2 PHE A 100 -4.632 62.880 61.173 1.00 23.12 H new ATOM 0 HZ PHE A 100 -7.003 62.397 60.717 1.00 33.04 H new ATOM 1586 N ALA A 101 -5.930 61.345 65.872 1.00 72.31 N ATOM 1587 CA ALA A 101 -6.299 62.739 66.086 1.00 31.22 C ATOM 1588 C ALA A 101 -5.441 63.373 67.176 1.00 0.44 C ATOM 1589 O ALA A 101 -5.374 64.596 67.295 1.00 0.02 O ATOM 1590 CB ALA A 101 -7.774 62.845 66.444 1.00 74.24 C ATOM 0 H ALA A 101 -6.715 60.693 65.890 1.00 72.31 H new ATOM 0 HA ALA A 101 -6.121 63.283 65.158 1.00 31.22 H new ATOM 0 HB1 ALA A 101 -8.036 63.891 66.601 1.00 74.24 H new ATOM 0 HB2 ALA A 101 -8.376 62.438 65.631 1.00 74.24 H new ATOM 0 HB3 ALA A 101 -7.968 62.281 67.356 1.00 74.24 H new ATOM 1596 N GLY A 102 -4.786 62.532 67.971 1.00 72.11 N ATOM 1597 CA GLY A 102 -3.942 63.029 69.042 1.00 31.41 C ATOM 1598 C GLY A 102 -2.669 62.221 69.199 1.00 25.30 C ATOM 1599 O GLY A 102 -2.373 61.720 70.284 1.00 44.32 O ATOM 0 H GLY A 102 -4.825 61.516 67.892 1.00 72.11 H new ATOM 0 HA2 GLY A 102 -3.686 64.070 68.845 1.00 31.41 H new ATOM 0 HA3 GLY A 102 -4.499 63.009 69.979 1.00 31.41 H new ATOM 1603 N LEU A 103 -1.915 62.093 68.113 1.00 4.50 N ATOM 1604 CA LEU A 103 -0.666 61.339 68.134 1.00 24.13 C ATOM 1605 C LEU A 103 0.383 62.045 68.987 1.00 10.05 C ATOM 1606 O LEU A 103 0.993 63.022 68.554 1.00 75.25 O ATOM 1607 CB LEU A 103 -0.139 61.148 66.710 1.00 45.44 C ATOM 1608 CG LEU A 103 -0.938 60.195 65.820 1.00 55.31 C ATOM 1609 CD1 LEU A 103 -0.484 60.311 64.374 1.00 23.33 C ATOM 1610 CD2 LEU A 103 -0.799 58.762 66.313 1.00 64.24 C ATOM 0 H LEU A 103 -2.146 62.501 67.207 1.00 4.50 H new ATOM 0 HA LEU A 103 -0.867 60.363 68.575 1.00 24.13 H new ATOM 0 HB2 LEU A 103 -0.103 62.123 66.224 1.00 45.44 H new ATOM 0 HB3 LEU A 103 0.887 60.783 66.770 1.00 45.44 H new ATOM 0 HG LEU A 103 -1.990 60.474 65.872 1.00 55.31 H new ATOM 0 HD11 LEU A 103 -1.063 59.626 63.755 1.00 23.33 H new ATOM 0 HD12 LEU A 103 -0.637 61.332 64.026 1.00 23.33 H new ATOM 0 HD13 LEU A 103 0.574 60.058 64.303 1.00 23.33 H new ATOM 0 HD21 LEU A 103 -1.374 58.098 65.668 1.00 64.24 H new ATOM 0 HD22 LEU A 103 0.251 58.470 66.291 1.00 64.24 H new ATOM 0 HD23 LEU A 103 -1.174 58.690 67.334 1.00 64.24 H new ATOM 1622 N ASP A 104 0.588 61.542 70.199 1.00 50.44 N ATOM 1623 CA ASP A 104 1.566 62.123 71.112 1.00 2.20 C ATOM 1624 C ASP A 104 2.024 61.095 72.142 1.00 55.22 C ATOM 1625 O ASP A 104 1.331 60.112 72.406 1.00 11.10 O ATOM 1626 CB ASP A 104 0.974 63.343 71.818 1.00 53.20 C ATOM 1627 CG ASP A 104 1.032 64.592 70.961 1.00 15.14 C ATOM 1628 OD1 ASP A 104 2.121 64.903 70.439 1.00 64.34 O ATOM 1629 OD2 ASP A 104 -0.014 65.259 70.815 1.00 73.31 O ATOM 0 H ASP A 104 0.090 60.734 70.572 1.00 50.44 H new ATOM 0 HA ASP A 104 2.431 62.436 70.528 1.00 2.20 H new ATOM 0 HB2 ASP A 104 -0.062 63.137 72.085 1.00 53.20 H new ATOM 0 HB3 ASP A 104 1.514 63.519 72.748 1.00 53.20 H new ATOM 1634 N THR A 105 3.197 61.329 72.722 1.00 51.25 N ATOM 1635 CA THR A 105 3.750 60.423 73.722 1.00 52.23 C ATOM 1636 C THR A 105 2.911 60.433 74.995 1.00 3.33 C ATOM 1637 O THR A 105 2.998 61.359 75.801 1.00 12.20 O ATOM 1638 CB THR A 105 5.202 60.796 74.076 1.00 1.22 C ATOM 1639 OG1 THR A 105 5.735 59.853 75.014 1.00 35.43 O ATOM 1640 CG2 THR A 105 5.275 62.198 74.661 1.00 74.01 C ATOM 0 H THR A 105 3.783 62.138 72.517 1.00 51.25 H new ATOM 0 HA THR A 105 3.735 59.424 73.287 1.00 52.23 H new ATOM 0 HB THR A 105 5.793 60.772 73.161 1.00 1.22 H new ATOM 0 HG1 THR A 105 6.659 60.096 75.233 1.00 35.43 H new ATOM 0 HG21 THR A 105 6.310 62.438 74.903 1.00 74.01 H new ATOM 0 HG22 THR A 105 4.897 62.916 73.933 1.00 74.01 H new ATOM 0 HG23 THR A 105 4.670 62.246 75.567 1.00 74.01 H new ATOM 1648 N ILE A 106 2.099 59.395 75.170 1.00 23.33 N ATOM 1649 CA ILE A 106 1.246 59.283 76.347 1.00 63.40 C ATOM 1650 C ILE A 106 2.053 59.454 77.629 1.00 4.24 C ATOM 1651 O ILE A 106 3.276 59.587 77.592 1.00 3.43 O ATOM 1652 CB ILE A 106 0.518 57.926 76.388 1.00 62.20 C ATOM 1653 CG1 ILE A 106 1.515 56.797 76.656 1.00 3.51 C ATOM 1654 CG2 ILE A 106 -0.226 57.684 75.083 1.00 64.14 C ATOM 1655 CD1 ILE A 106 2.676 56.771 75.688 1.00 62.41 C ATOM 0 H ILE A 106 2.014 58.620 74.512 1.00 23.33 H new ATOM 0 HA ILE A 106 0.506 60.080 76.278 1.00 63.40 H new ATOM 0 HB ILE A 106 -0.209 57.944 77.200 1.00 62.20 H new ATOM 0 HG12 ILE A 106 1.901 56.898 77.670 1.00 3.51 H new ATOM 0 HG13 ILE A 106 0.991 55.842 76.608 1.00 3.51 H new ATOM 0 HG21 ILE A 106 -0.735 56.721 75.128 1.00 64.14 H new ATOM 0 HG22 ILE A 106 -0.959 58.476 74.930 1.00 64.14 H new ATOM 0 HG23 ILE A 106 0.483 57.681 74.255 1.00 64.14 H new ATOM 0 HD11 ILE A 106 3.341 55.945 75.940 1.00 62.41 H new ATOM 0 HD12 ILE A 106 2.301 56.639 74.673 1.00 62.41 H new ATOM 0 HD13 ILE A 106 3.225 57.711 75.752 1.00 62.41 H new TER 1667 ILE A 106