USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1090 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 SER OG : rot 69:sc= 2.18 USER MOD Set 1.2: A 26 SER OG : rot -174:sc= 1.19 USER MOD Set 1.3: A 66 HIS : no HD1:sc= 1.49 K(o=3.9,f=-8.3!) USER MOD Set 1.4: A 70 GLN : amide:sc= -0.923 K(o=3.9,f=0.21!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ 166:sc= 0.408 (180deg=0) USER MOD Set 2.2: A 14 THR OG1 : rot 1:sc= 0.394 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.515 K(o=0.52,f=-4!) USER MOD Single : A 18 SER OG : rot 137:sc= 1.24 USER MOD Single : A 19 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.1) USER MOD Single : A 21 SER OG : rot -164:sc= -0.551! USER MOD Single : A 24 SER OG : rot 180:sc= 0.0067 USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= -0.0781 (180deg=-0.393) USER MOD Single : A 32 GLN : amide:sc= 0.24 X(o=0.24,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= 1.31 (180deg=1.15) USER MOD Single : A 42 MET CE :methyl -175:sc= -0.639 (180deg=-0.855) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 152:sc= -0.901 (180deg=-1.58) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 53 ASN : amide:sc= 0.662 K(o=0.66,f=-5.5!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.189 USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= 2.42 (180deg=2.15) USER MOD Single : A 62 TYR OH : rot -15:sc= -0.615 USER MOD Single : A 64 MET CE :methyl -176:sc= 0 (180deg=-0.016) USER MOD Single : A 65 ASN : amide:sc= -0.477 K(o=-0.48,f=-2) USER MOD Single : A 69 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.87) USER MOD Single : A 72 LYS NZ :NH3+ -125:sc= 0.123 (180deg=-0.0967) USER MOD Single : A 74 GLN : amide:sc= -0.993 X(o=-0.99,f=-0.8) USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= -0.0212 (180deg=-0.233) USER MOD Single : A 78 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.5) USER MOD Single : A 80 GLN : amide:sc= -0.662 K(o=-0.66,f=-7.1!) USER MOD Single : A 82 SER OG : rot 76:sc= 1.3 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 96 GLN : amide:sc= 0.919 K(o=0.92,f=-4.1!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0108) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 114 LYS NZ :NH3+ -153:sc= 1.19 (180deg=1.17) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0.056) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -163:sc= -0.025 (180deg=-0.301) USER MOD Single : A 122 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.18) USER MOD Single : A 125 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0095) USER MOD Single : A 130 SER OG : rot 78:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 7 15.199 -5.660 -6.363 1.00 0.63 N ATOM 69 CA GLN A 7 15.371 -5.876 -4.931 1.00 0.61 C ATOM 70 C GLN A 7 14.062 -5.583 -4.205 1.00 0.52 C ATOM 71 O GLN A 7 13.744 -6.205 -3.195 1.00 0.61 O ATOM 72 CB GLN A 7 16.494 -4.994 -4.378 1.00 0.75 C ATOM 73 CG GLN A 7 17.885 -5.409 -4.839 1.00 1.58 C ATOM 74 CD GLN A 7 18.979 -4.529 -4.262 1.00 2.04 C ATOM 75 OE1 GLN A 7 18.765 -3.356 -3.964 1.00 2.40 O ATOM 76 NE2 GLN A 7 20.168 -5.087 -4.113 1.00 2.75 N ATOM 0 HA GLN A 7 15.647 -6.918 -4.766 1.00 0.61 H new ATOM 0 HB2 GLN A 7 16.314 -3.962 -4.679 1.00 0.75 H new ATOM 0 HB3 GLN A 7 16.460 -5.019 -3.289 1.00 0.75 H new ATOM 0 HG2 GLN A 7 18.066 -6.444 -4.549 1.00 1.58 H new ATOM 0 HG3 GLN A 7 17.929 -5.371 -5.927 1.00 1.58 H new ATOM 0 HE21 GLN A 7 20.309 -6.064 -4.371 1.00 2.75 H new ATOM 0 HE22 GLN A 7 20.945 -4.541 -3.740 1.00 2.75 H new ATOM 85 N PHE A 8 13.295 -4.649 -4.750 1.00 0.49 N ATOM 86 CA PHE A 8 12.011 -4.274 -4.174 1.00 0.45 C ATOM 87 C PHE A 8 10.986 -5.378 -4.414 1.00 0.44 C ATOM 88 O PHE A 8 10.312 -5.830 -3.486 1.00 0.42 O ATOM 89 CB PHE A 8 11.526 -2.953 -4.791 1.00 0.51 C ATOM 90 CG PHE A 8 10.098 -2.602 -4.457 1.00 0.48 C ATOM 91 CD1 PHE A 8 9.772 -2.083 -3.214 1.00 0.89 C ATOM 92 CD2 PHE A 8 9.087 -2.789 -5.389 1.00 0.88 C ATOM 93 CE1 PHE A 8 8.464 -1.757 -2.907 1.00 0.91 C ATOM 94 CE2 PHE A 8 7.778 -2.465 -5.086 1.00 0.90 C ATOM 95 CZ PHE A 8 7.467 -1.948 -3.843 1.00 0.55 C ATOM 0 H PHE A 8 13.542 -4.134 -5.595 1.00 0.49 H new ATOM 0 HA PHE A 8 12.130 -4.137 -3.099 1.00 0.45 H new ATOM 0 HB2 PHE A 8 12.176 -2.146 -4.451 1.00 0.51 H new ATOM 0 HB3 PHE A 8 11.630 -3.011 -5.874 1.00 0.51 H new ATOM 0 HD1 PHE A 8 10.548 -1.932 -2.478 1.00 0.89 H new ATOM 0 HD2 PHE A 8 9.326 -3.192 -6.362 1.00 0.88 H new ATOM 0 HE1 PHE A 8 8.222 -1.353 -1.935 1.00 0.91 H new ATOM 0 HE2 PHE A 8 7.000 -2.616 -5.819 1.00 0.90 H new ATOM 0 HZ PHE A 8 6.445 -1.694 -3.604 1.00 0.55 H new ATOM 105 N THR A 9 10.897 -5.822 -5.662 1.00 0.50 N ATOM 106 CA THR A 9 9.963 -6.866 -6.053 1.00 0.56 C ATOM 107 C THR A 9 10.229 -8.178 -5.316 1.00 0.56 C ATOM 108 O THR A 9 9.296 -8.902 -4.957 1.00 0.60 O ATOM 109 CB THR A 9 10.041 -7.104 -7.568 1.00 0.67 C ATOM 110 OG1 THR A 9 11.000 -6.200 -8.140 1.00 0.76 O ATOM 111 CG2 THR A 9 8.680 -6.892 -8.218 1.00 0.86 C ATOM 0 H THR A 9 11.470 -5.468 -6.428 1.00 0.50 H new ATOM 0 HA THR A 9 8.964 -6.525 -5.782 1.00 0.56 H new ATOM 0 HB THR A 9 10.350 -8.134 -7.748 1.00 0.67 H new ATOM 0 HG1 THR A 9 11.054 -6.350 -9.107 1.00 0.76 H new ATOM 0 HG21 THR A 9 8.758 -7.066 -9.291 1.00 0.86 H new ATOM 0 HG22 THR A 9 7.960 -7.589 -7.789 1.00 0.86 H new ATOM 0 HG23 THR A 9 8.347 -5.870 -8.039 1.00 0.86 H new ATOM 119 N THR A 10 11.502 -8.480 -5.086 1.00 0.57 N ATOM 120 CA THR A 10 11.873 -9.703 -4.391 1.00 0.63 C ATOM 121 C THR A 10 11.539 -9.600 -2.899 1.00 0.58 C ATOM 122 O THR A 10 11.274 -10.609 -2.242 1.00 0.66 O ATOM 123 CB THR A 10 13.372 -10.052 -4.598 1.00 0.71 C ATOM 124 OG1 THR A 10 13.569 -11.470 -4.506 1.00 1.42 O ATOM 125 CG2 THR A 10 14.264 -9.360 -3.578 1.00 1.31 C ATOM 0 H THR A 10 12.289 -7.897 -5.370 1.00 0.57 H new ATOM 0 HA THR A 10 11.288 -10.515 -4.822 1.00 0.63 H new ATOM 0 HB THR A 10 13.649 -9.698 -5.591 1.00 0.71 H new ATOM 0 HG1 THR A 10 14.517 -11.678 -4.640 1.00 1.42 H new ATOM 0 HG21 THR A 10 15.304 -9.632 -3.760 1.00 1.31 H new ATOM 0 HG22 THR A 10 14.150 -8.280 -3.669 1.00 1.31 H new ATOM 0 HG23 THR A 10 13.978 -9.672 -2.573 1.00 1.31 H new ATOM 133 N LYS A 11 11.521 -8.376 -2.366 1.00 0.51 N ATOM 134 CA LYS A 11 11.205 -8.168 -0.958 1.00 0.50 C ATOM 135 C LYS A 11 9.738 -8.472 -0.688 1.00 0.48 C ATOM 136 O LYS A 11 9.373 -8.875 0.415 1.00 0.52 O ATOM 137 CB LYS A 11 11.530 -6.735 -0.522 1.00 0.50 C ATOM 138 CG LYS A 11 12.999 -6.501 -0.183 1.00 0.59 C ATOM 139 CD LYS A 11 13.533 -7.495 0.845 1.00 0.80 C ATOM 140 CE LYS A 11 12.757 -7.439 2.152 1.00 1.06 C ATOM 141 NZ LYS A 11 13.141 -8.543 3.070 1.00 1.30 N ATOM 0 H LYS A 11 11.720 -7.522 -2.887 1.00 0.51 H new ATOM 0 HA LYS A 11 11.823 -8.852 -0.376 1.00 0.50 H new ATOM 0 HB2 LYS A 11 11.239 -6.050 -1.319 1.00 0.50 H new ATOM 0 HB3 LYS A 11 10.924 -6.486 0.349 1.00 0.50 H new ATOM 0 HG2 LYS A 11 13.593 -6.572 -1.094 1.00 0.59 H new ATOM 0 HG3 LYS A 11 13.122 -5.488 0.200 1.00 0.59 H new ATOM 0 HD2 LYS A 11 13.480 -8.504 0.435 1.00 0.80 H new ATOM 0 HD3 LYS A 11 14.585 -7.285 1.039 1.00 0.80 H new ATOM 0 HE2 LYS A 11 12.936 -6.481 2.640 1.00 1.06 H new ATOM 0 HE3 LYS A 11 11.689 -7.495 1.943 1.00 1.06 H new ATOM 0 HZ1 LYS A 11 12.778 -8.343 4.024 1.00 1.30 H new ATOM 0 HZ2 LYS A 11 12.736 -9.437 2.726 1.00 1.30 H new ATOM 0 HZ3 LYS A 11 14.177 -8.622 3.103 1.00 1.30 H new ATOM 155 N LEU A 12 8.911 -8.298 -1.711 1.00 0.47 N ATOM 156 CA LEU A 12 7.480 -8.557 -1.602 1.00 0.50 C ATOM 157 C LEU A 12 7.222 -10.036 -1.322 1.00 0.56 C ATOM 158 O LEU A 12 6.243 -10.398 -0.671 1.00 0.65 O ATOM 159 CB LEU A 12 6.769 -8.136 -2.892 1.00 0.54 C ATOM 160 CG LEU A 12 6.129 -6.741 -2.882 1.00 0.66 C ATOM 161 CD1 LEU A 12 4.945 -6.698 -1.928 1.00 1.57 C ATOM 162 CD2 LEU A 12 7.152 -5.677 -2.510 1.00 0.84 C ATOM 0 H LEU A 12 9.209 -7.976 -2.632 1.00 0.47 H new ATOM 0 HA LEU A 12 7.085 -7.972 -0.771 1.00 0.50 H new ATOM 0 HB2 LEU A 12 7.488 -8.179 -3.710 1.00 0.54 H new ATOM 0 HB3 LEU A 12 5.993 -8.869 -3.111 1.00 0.54 H new ATOM 0 HG LEU A 12 5.768 -6.530 -3.888 1.00 0.66 H new ATOM 0 HD11 LEU A 12 4.507 -5.700 -1.937 1.00 1.57 H new ATOM 0 HD12 LEU A 12 4.197 -7.426 -2.243 1.00 1.57 H new ATOM 0 HD13 LEU A 12 5.282 -6.938 -0.919 1.00 1.57 H new ATOM 0 HD21 LEU A 12 6.674 -4.697 -2.510 1.00 0.84 H new ATOM 0 HD22 LEU A 12 7.550 -5.887 -1.517 1.00 0.84 H new ATOM 0 HD23 LEU A 12 7.965 -5.684 -3.236 1.00 0.84 H new ATOM 174 N ASN A 13 8.116 -10.886 -1.810 1.00 0.60 N ATOM 175 CA ASN A 13 7.992 -12.325 -1.609 1.00 0.71 C ATOM 176 C ASN A 13 8.518 -12.720 -0.229 1.00 0.72 C ATOM 177 O ASN A 13 8.152 -13.763 0.318 1.00 0.87 O ATOM 178 CB ASN A 13 8.759 -13.075 -2.706 1.00 0.82 C ATOM 179 CG ASN A 13 8.585 -14.579 -2.623 1.00 1.14 C ATOM 180 OD1 ASN A 13 7.537 -15.079 -2.212 1.00 1.53 O ATOM 181 ND2 ASN A 13 9.614 -15.313 -3.018 1.00 1.59 N ATOM 0 H ASN A 13 8.935 -10.604 -2.348 1.00 0.60 H new ATOM 0 HA ASN A 13 6.938 -12.597 -1.666 1.00 0.71 H new ATOM 0 HB2 ASN A 13 8.420 -12.728 -3.682 1.00 0.82 H new ATOM 0 HB3 ASN A 13 9.819 -12.832 -2.632 1.00 0.82 H new ATOM 0 HD21 ASN A 13 9.556 -16.331 -2.988 1.00 1.59 H new ATOM 0 HD22 ASN A 13 10.465 -14.860 -3.352 1.00 1.59 H new ATOM 188 N THR A 14 9.348 -11.862 0.345 1.00 0.67 N ATOM 189 CA THR A 14 9.935 -12.120 1.651 1.00 0.74 C ATOM 190 C THR A 14 9.215 -11.343 2.754 1.00 0.68 C ATOM 191 O THR A 14 9.792 -11.059 3.804 1.00 0.81 O ATOM 192 CB THR A 14 11.430 -11.746 1.660 1.00 0.85 C ATOM 193 OG1 THR A 14 11.597 -10.362 1.297 1.00 1.63 O ATOM 194 CG2 THR A 14 12.217 -12.630 0.698 1.00 1.47 C ATOM 0 H THR A 14 9.631 -10.977 -0.076 1.00 0.67 H new ATOM 0 HA THR A 14 9.825 -13.187 1.847 1.00 0.74 H new ATOM 0 HB THR A 14 11.814 -11.903 2.668 1.00 0.85 H new ATOM 0 HG1 THR A 14 10.719 -9.958 1.136 1.00 1.63 H new ATOM 0 HG21 THR A 14 13.269 -12.347 0.722 1.00 1.47 H new ATOM 0 HG22 THR A 14 12.115 -13.673 0.996 1.00 1.47 H new ATOM 0 HG23 THR A 14 11.830 -12.502 -0.313 1.00 1.47 H new ATOM 202 N LEU A 15 7.956 -10.999 2.515 1.00 0.61 N ATOM 203 CA LEU A 15 7.174 -10.250 3.495 1.00 0.61 C ATOM 204 C LEU A 15 6.688 -11.152 4.625 1.00 0.60 C ATOM 205 O LEU A 15 6.720 -12.378 4.517 1.00 0.71 O ATOM 206 CB LEU A 15 5.982 -9.561 2.828 1.00 0.65 C ATOM 207 CG LEU A 15 6.310 -8.269 2.075 1.00 0.73 C ATOM 208 CD1 LEU A 15 5.032 -7.582 1.623 1.00 1.10 C ATOM 209 CD2 LEU A 15 7.135 -7.331 2.946 1.00 0.88 C ATOM 0 H LEU A 15 7.455 -11.225 1.656 1.00 0.61 H new ATOM 0 HA LEU A 15 7.828 -9.489 3.921 1.00 0.61 H new ATOM 0 HB2 LEU A 15 5.522 -10.261 2.131 1.00 0.65 H new ATOM 0 HB3 LEU A 15 5.238 -9.337 3.593 1.00 0.65 H new ATOM 0 HG LEU A 15 6.900 -8.526 1.195 1.00 0.73 H new ATOM 0 HD11 LEU A 15 5.281 -6.665 1.089 1.00 1.10 H new ATOM 0 HD12 LEU A 15 4.476 -8.247 0.962 1.00 1.10 H new ATOM 0 HD13 LEU A 15 4.421 -7.341 2.493 1.00 1.10 H new ATOM 0 HD21 LEU A 15 7.356 -6.420 2.391 1.00 0.88 H new ATOM 0 HD22 LEU A 15 6.572 -7.080 3.845 1.00 0.88 H new ATOM 0 HD23 LEU A 15 8.068 -7.821 3.226 1.00 0.88 H new ATOM 221 N GLU A 16 6.234 -10.531 5.705 1.00 0.65 N ATOM 222 CA GLU A 16 5.748 -11.258 6.867 1.00 0.72 C ATOM 223 C GLU A 16 4.585 -10.492 7.494 1.00 0.70 C ATOM 224 O GLU A 16 4.341 -9.340 7.140 1.00 0.70 O ATOM 225 CB GLU A 16 6.882 -11.434 7.879 1.00 0.83 C ATOM 226 CG GLU A 16 6.654 -12.557 8.879 1.00 1.28 C ATOM 227 CD GLU A 16 7.820 -12.726 9.824 1.00 1.56 C ATOM 228 OE1 GLU A 16 8.096 -11.796 10.601 1.00 2.16 O ATOM 229 OE2 GLU A 16 8.464 -13.794 9.797 1.00 2.16 O ATOM 0 H GLU A 16 6.193 -9.516 5.799 1.00 0.65 H new ATOM 0 HA GLU A 16 5.399 -12.245 6.563 1.00 0.72 H new ATOM 0 HB2 GLU A 16 7.809 -11.625 7.339 1.00 0.83 H new ATOM 0 HB3 GLU A 16 7.017 -10.499 8.423 1.00 0.83 H new ATOM 0 HG2 GLU A 16 5.750 -12.352 9.453 1.00 1.28 H new ATOM 0 HG3 GLU A 16 6.486 -13.491 8.342 1.00 1.28 H new ATOM 236 N ASP A 17 3.869 -11.124 8.415 1.00 0.77 N ATOM 237 CA ASP A 17 2.731 -10.479 9.073 1.00 0.82 C ATOM 238 C ASP A 17 3.187 -9.594 10.227 1.00 0.79 C ATOM 239 O ASP A 17 2.455 -8.702 10.663 1.00 1.05 O ATOM 240 CB ASP A 17 1.746 -11.527 9.595 1.00 1.00 C ATOM 241 CG ASP A 17 2.233 -12.200 10.864 1.00 1.27 C ATOM 242 OD1 ASP A 17 1.931 -11.697 11.972 1.00 1.94 O ATOM 243 OD2 ASP A 17 2.924 -13.236 10.757 1.00 1.78 O ATOM 0 H ASP A 17 4.052 -12.078 8.725 1.00 0.77 H new ATOM 0 HA ASP A 17 2.235 -9.855 8.329 1.00 0.82 H new ATOM 0 HB2 ASP A 17 0.783 -11.053 9.785 1.00 1.00 H new ATOM 0 HB3 ASP A 17 1.583 -12.282 8.826 1.00 1.00 H new ATOM 248 N SER A 18 4.388 -9.856 10.729 1.00 0.74 N ATOM 249 CA SER A 18 4.937 -9.095 11.837 1.00 0.75 C ATOM 250 C SER A 18 5.097 -7.622 11.466 1.00 0.69 C ATOM 251 O SER A 18 5.614 -7.289 10.398 1.00 0.78 O ATOM 252 CB SER A 18 6.276 -9.693 12.260 1.00 0.84 C ATOM 253 OG SER A 18 6.205 -11.111 12.293 1.00 1.61 O ATOM 0 H SER A 18 5.000 -10.594 10.382 1.00 0.74 H new ATOM 0 HA SER A 18 4.242 -9.151 12.675 1.00 0.75 H new ATOM 0 HB2 SER A 18 7.056 -9.379 11.566 1.00 0.84 H new ATOM 0 HB3 SER A 18 6.554 -9.315 13.244 1.00 0.84 H new ATOM 0 HG SER A 18 7.013 -11.489 11.886 1.00 1.61 H new ATOM 259 N GLN A 19 4.663 -6.748 12.366 1.00 0.76 N ATOM 260 CA GLN A 19 4.731 -5.310 12.137 1.00 0.79 C ATOM 261 C GLN A 19 6.181 -4.850 12.051 1.00 0.73 C ATOM 262 O GLN A 19 6.519 -3.951 11.279 1.00 0.73 O ATOM 263 CB GLN A 19 4.001 -4.542 13.246 1.00 1.04 C ATOM 264 CG GLN A 19 3.168 -5.417 14.177 1.00 1.45 C ATOM 265 CD GLN A 19 1.934 -4.705 14.700 1.00 2.07 C ATOM 266 OE1 GLN A 19 1.297 -3.928 13.985 1.00 2.64 O ATOM 267 NE2 GLN A 19 1.589 -4.965 15.948 1.00 2.54 N ATOM 0 H GLN A 19 4.259 -7.011 13.265 1.00 0.76 H new ATOM 0 HA GLN A 19 4.237 -5.098 11.189 1.00 0.79 H new ATOM 0 HB2 GLN A 19 4.737 -3.999 13.840 1.00 1.04 H new ATOM 0 HB3 GLN A 19 3.350 -3.798 12.787 1.00 1.04 H new ATOM 0 HG2 GLN A 19 2.864 -6.319 13.646 1.00 1.45 H new ATOM 0 HG3 GLN A 19 3.784 -5.734 15.019 1.00 1.45 H new ATOM 0 HE21 GLN A 19 2.144 -5.615 16.506 1.00 2.54 H new ATOM 0 HE22 GLN A 19 0.768 -4.516 16.354 1.00 2.54 H new ATOM 276 N GLU A 20 7.037 -5.489 12.836 1.00 0.80 N ATOM 277 CA GLU A 20 8.455 -5.164 12.860 1.00 0.87 C ATOM 278 C GLU A 20 9.111 -5.507 11.525 1.00 0.75 C ATOM 279 O GLU A 20 9.964 -4.767 11.036 1.00 0.80 O ATOM 280 CB GLU A 20 9.158 -5.906 14.000 1.00 1.09 C ATOM 281 CG GLU A 20 8.807 -7.387 14.090 1.00 1.59 C ATOM 282 CD GLU A 20 7.622 -7.652 14.994 1.00 2.23 C ATOM 283 OE1 GLU A 20 6.476 -7.456 14.546 1.00 2.99 O ATOM 284 OE2 GLU A 20 7.836 -8.050 16.158 1.00 2.69 O ATOM 0 H GLU A 20 6.770 -6.242 13.470 1.00 0.80 H new ATOM 0 HA GLU A 20 8.554 -4.092 13.028 1.00 0.87 H new ATOM 0 HB2 GLU A 20 10.236 -5.806 13.873 1.00 1.09 H new ATOM 0 HB3 GLU A 20 8.902 -5.425 14.944 1.00 1.09 H new ATOM 0 HG2 GLU A 20 8.589 -7.766 13.092 1.00 1.59 H new ATOM 0 HG3 GLU A 20 9.671 -7.939 14.459 1.00 1.59 H new ATOM 291 N SER A 21 8.697 -6.623 10.940 1.00 0.69 N ATOM 292 CA SER A 21 9.234 -7.064 9.662 1.00 0.67 C ATOM 293 C SER A 21 8.799 -6.113 8.553 1.00 0.54 C ATOM 294 O SER A 21 9.576 -5.793 7.651 1.00 0.58 O ATOM 295 CB SER A 21 8.772 -8.491 9.379 1.00 0.74 C ATOM 296 OG SER A 21 8.901 -9.289 10.546 1.00 1.10 O ATOM 0 H SER A 21 7.987 -7.241 11.333 1.00 0.69 H new ATOM 0 HA SER A 21 10.323 -7.055 9.701 1.00 0.67 H new ATOM 0 HB2 SER A 21 7.734 -8.486 9.046 1.00 0.74 H new ATOM 0 HB3 SER A 21 9.364 -8.919 8.570 1.00 0.74 H new ATOM 0 HG SER A 21 8.855 -10.237 10.301 1.00 1.10 H new ATOM 302 N ILE A 22 7.555 -5.649 8.633 1.00 0.47 N ATOM 303 CA ILE A 22 7.030 -4.702 7.658 1.00 0.42 C ATOM 304 C ILE A 22 7.764 -3.372 7.810 1.00 0.42 C ATOM 305 O ILE A 22 8.044 -2.675 6.830 1.00 0.42 O ATOM 306 CB ILE A 22 5.509 -4.483 7.841 1.00 0.47 C ATOM 307 CG1 ILE A 22 4.741 -5.788 7.598 1.00 0.53 C ATOM 308 CG2 ILE A 22 5.001 -3.389 6.911 1.00 0.54 C ATOM 309 CD1 ILE A 22 4.815 -6.288 6.168 1.00 0.88 C ATOM 0 H ILE A 22 6.893 -5.914 9.363 1.00 0.47 H new ATOM 0 HA ILE A 22 7.190 -5.110 6.660 1.00 0.42 H new ATOM 0 HB ILE A 22 5.337 -4.165 8.869 1.00 0.47 H new ATOM 0 HG12 ILE A 22 5.133 -6.558 8.262 1.00 0.53 H new ATOM 0 HG13 ILE A 22 3.695 -5.638 7.866 1.00 0.53 H new ATOM 0 HG21 ILE A 22 3.930 -3.254 7.059 1.00 0.54 H new ATOM 0 HG22 ILE A 22 5.518 -2.455 7.131 1.00 0.54 H new ATOM 0 HG23 ILE A 22 5.191 -3.674 5.876 1.00 0.54 H new ATOM 0 HD11 ILE A 22 4.248 -7.214 6.077 1.00 0.88 H new ATOM 0 HD12 ILE A 22 4.395 -5.538 5.498 1.00 0.88 H new ATOM 0 HD13 ILE A 22 5.855 -6.472 5.900 1.00 0.88 H new ATOM 321 N SER A 23 8.103 -3.052 9.055 1.00 0.46 N ATOM 322 CA SER A 23 8.815 -1.826 9.378 1.00 0.50 C ATOM 323 C SER A 23 10.197 -1.806 8.735 1.00 0.49 C ATOM 324 O SER A 23 10.686 -0.750 8.333 1.00 0.55 O ATOM 325 CB SER A 23 8.945 -1.683 10.894 1.00 0.59 C ATOM 326 OG SER A 23 7.673 -1.518 11.493 1.00 1.18 O ATOM 0 H SER A 23 7.891 -3.635 9.865 1.00 0.46 H new ATOM 0 HA SER A 23 8.243 -0.987 8.982 1.00 0.50 H new ATOM 0 HB2 SER A 23 9.435 -2.565 11.307 1.00 0.59 H new ATOM 0 HB3 SER A 23 9.577 -0.827 11.130 1.00 0.59 H new ATOM 0 HG SER A 23 7.163 -2.351 11.413 1.00 1.18 H new ATOM 332 N SER A 24 10.812 -2.979 8.628 1.00 0.50 N ATOM 333 CA SER A 24 12.137 -3.104 8.035 1.00 0.54 C ATOM 334 C SER A 24 12.117 -2.670 6.572 1.00 0.50 C ATOM 335 O SER A 24 12.958 -1.882 6.136 1.00 0.67 O ATOM 336 CB SER A 24 12.630 -4.546 8.153 1.00 0.62 C ATOM 337 OG SER A 24 12.364 -5.066 9.448 1.00 1.16 O ATOM 0 H SER A 24 10.411 -3.861 8.946 1.00 0.50 H new ATOM 0 HA SER A 24 12.821 -2.450 8.576 1.00 0.54 H new ATOM 0 HB2 SER A 24 12.141 -5.165 7.400 1.00 0.62 H new ATOM 0 HB3 SER A 24 13.701 -4.587 7.953 1.00 0.62 H new ATOM 0 HG SER A 24 12.686 -5.990 9.502 1.00 1.16 H new ATOM 343 N ALA A 25 11.137 -3.169 5.828 1.00 0.42 N ATOM 344 CA ALA A 25 11.003 -2.828 4.418 1.00 0.40 C ATOM 345 C ALA A 25 10.609 -1.361 4.254 1.00 0.36 C ATOM 346 O ALA A 25 11.118 -0.666 3.377 1.00 0.37 O ATOM 347 CB ALA A 25 9.984 -3.735 3.748 1.00 0.45 C ATOM 0 H ALA A 25 10.425 -3.810 6.177 1.00 0.42 H new ATOM 0 HA ALA A 25 11.968 -2.977 3.934 1.00 0.40 H new ATOM 0 HB1 ALA A 25 9.895 -3.467 2.695 1.00 0.45 H new ATOM 0 HB2 ALA A 25 10.309 -4.772 3.833 1.00 0.45 H new ATOM 0 HB3 ALA A 25 9.016 -3.617 4.235 1.00 0.45 H new ATOM 353 N SER A 26 9.709 -0.900 5.114 1.00 0.36 N ATOM 354 CA SER A 26 9.244 0.482 5.082 1.00 0.37 C ATOM 355 C SER A 26 10.402 1.449 5.323 1.00 0.36 C ATOM 356 O SER A 26 10.602 2.399 4.564 1.00 0.37 O ATOM 357 CB SER A 26 8.153 0.683 6.139 1.00 0.46 C ATOM 358 OG SER A 26 7.760 2.042 6.234 1.00 1.32 O ATOM 0 H SER A 26 9.284 -1.467 5.847 1.00 0.36 H new ATOM 0 HA SER A 26 8.830 0.690 4.095 1.00 0.37 H new ATOM 0 HB2 SER A 26 7.287 0.070 5.889 1.00 0.46 H new ATOM 0 HB3 SER A 26 8.517 0.341 7.108 1.00 0.46 H new ATOM 0 HG SER A 26 7.135 2.150 6.981 1.00 1.32 H new ATOM 364 N LYS A 27 11.183 1.183 6.364 1.00 0.39 N ATOM 365 CA LYS A 27 12.317 2.029 6.712 1.00 0.44 C ATOM 366 C LYS A 27 13.367 2.022 5.606 1.00 0.39 C ATOM 367 O LYS A 27 14.122 2.981 5.443 1.00 0.45 O ATOM 368 CB LYS A 27 12.932 1.568 8.037 1.00 0.53 C ATOM 369 CG LYS A 27 12.470 2.374 9.245 1.00 0.90 C ATOM 370 CD LYS A 27 10.952 2.497 9.299 1.00 1.41 C ATOM 371 CE LYS A 27 10.369 1.847 10.544 1.00 1.90 C ATOM 372 NZ LYS A 27 10.913 2.432 11.797 1.00 2.38 N ATOM 0 H LYS A 27 11.050 0.384 6.984 1.00 0.39 H new ATOM 0 HA LYS A 27 11.957 3.052 6.826 1.00 0.44 H new ATOM 0 HB2 LYS A 27 12.684 0.519 8.196 1.00 0.53 H new ATOM 0 HB3 LYS A 27 14.018 1.631 7.964 1.00 0.53 H new ATOM 0 HG2 LYS A 27 12.828 1.898 10.158 1.00 0.90 H new ATOM 0 HG3 LYS A 27 12.914 3.369 9.209 1.00 0.90 H new ATOM 0 HD2 LYS A 27 10.673 3.550 9.276 1.00 1.41 H new ATOM 0 HD3 LYS A 27 10.519 2.034 8.412 1.00 1.41 H new ATOM 0 HE2 LYS A 27 9.285 1.959 10.535 1.00 1.90 H new ATOM 0 HE3 LYS A 27 10.579 0.778 10.524 1.00 1.90 H new ATOM 0 HZ1 LYS A 27 10.210 2.338 12.558 1.00 2.38 H new ATOM 0 HZ2 LYS A 27 11.783 1.930 12.065 1.00 2.38 H new ATOM 0 HZ3 LYS A 27 11.127 3.439 11.646 1.00 2.38 H new ATOM 386 N TRP A 28 13.407 0.937 4.845 1.00 0.36 N ATOM 387 CA TRP A 28 14.350 0.806 3.749 1.00 0.38 C ATOM 388 C TRP A 28 13.866 1.603 2.540 1.00 0.35 C ATOM 389 O TRP A 28 14.659 2.225 1.828 1.00 0.43 O ATOM 390 CB TRP A 28 14.520 -0.668 3.380 1.00 0.42 C ATOM 391 CG TRP A 28 15.664 -0.922 2.449 1.00 0.54 C ATOM 392 CD1 TRP A 28 16.951 -0.496 2.598 1.00 0.73 C ATOM 393 CD2 TRP A 28 15.626 -1.666 1.226 1.00 0.62 C ATOM 394 NE1 TRP A 28 17.715 -0.921 1.540 1.00 0.86 N ATOM 395 CE2 TRP A 28 16.926 -1.644 0.685 1.00 0.79 C ATOM 396 CE3 TRP A 28 14.619 -2.344 0.531 1.00 0.70 C ATOM 397 CZ2 TRP A 28 17.245 -2.279 -0.513 1.00 0.94 C ATOM 398 CZ3 TRP A 28 14.937 -2.975 -0.655 1.00 0.89 C ATOM 399 CH2 TRP A 28 16.241 -2.938 -1.167 1.00 0.98 C ATOM 0 H TRP A 28 12.793 0.132 4.970 1.00 0.36 H new ATOM 0 HA TRP A 28 15.315 1.203 4.063 1.00 0.38 H new ATOM 0 HB2 TRP A 28 14.668 -1.248 4.291 1.00 0.42 H new ATOM 0 HB3 TRP A 28 13.600 -1.027 2.919 1.00 0.42 H new ATOM 0 HD1 TRP A 28 17.316 0.091 3.428 1.00 0.73 H new ATOM 0 HE1 TRP A 28 18.709 -0.730 1.411 1.00 0.86 H new ATOM 0 HE3 TRP A 28 13.610 -2.373 0.916 1.00 0.70 H new ATOM 0 HZ2 TRP A 28 18.249 -2.252 -0.911 1.00 0.94 H new ATOM 0 HZ3 TRP A 28 14.168 -3.506 -1.197 1.00 0.89 H new ATOM 0 HH2 TRP A 28 16.458 -3.441 -2.098 1.00 0.98 H new ATOM 410 N LEU A 29 12.555 1.586 2.327 1.00 0.32 N ATOM 411 CA LEU A 29 11.938 2.299 1.214 1.00 0.35 C ATOM 412 C LEU A 29 12.061 3.808 1.399 1.00 0.36 C ATOM 413 O LEU A 29 12.246 4.545 0.432 1.00 0.39 O ATOM 414 CB LEU A 29 10.461 1.907 1.078 1.00 0.41 C ATOM 415 CG LEU A 29 10.147 0.887 -0.021 1.00 0.54 C ATOM 416 CD1 LEU A 29 10.382 1.494 -1.396 1.00 1.10 C ATOM 417 CD2 LEU A 29 10.982 -0.374 0.155 1.00 1.30 C ATOM 0 H LEU A 29 11.893 1.081 2.917 1.00 0.32 H new ATOM 0 HA LEU A 29 12.464 2.018 0.302 1.00 0.35 H new ATOM 0 HB2 LEU A 29 10.121 1.503 2.032 1.00 0.41 H new ATOM 0 HB3 LEU A 29 9.880 2.809 0.889 1.00 0.41 H new ATOM 0 HG LEU A 29 9.095 0.613 0.061 1.00 0.54 H new ATOM 0 HD11 LEU A 29 10.154 0.755 -2.164 1.00 1.10 H new ATOM 0 HD12 LEU A 29 9.737 2.363 -1.525 1.00 1.10 H new ATOM 0 HD13 LEU A 29 11.424 1.800 -1.485 1.00 1.10 H new ATOM 0 HD21 LEU A 29 10.741 -1.083 -0.637 1.00 1.30 H new ATOM 0 HD22 LEU A 29 12.041 -0.119 0.105 1.00 1.30 H new ATOM 0 HD23 LEU A 29 10.763 -0.823 1.123 1.00 1.30 H new ATOM 429 N LEU A 30 11.977 4.259 2.645 1.00 0.38 N ATOM 430 CA LEU A 30 12.076 5.683 2.960 1.00 0.44 C ATOM 431 C LEU A 30 13.442 6.256 2.575 1.00 0.48 C ATOM 432 O LEU A 30 13.579 7.455 2.340 1.00 0.60 O ATOM 433 CB LEU A 30 11.825 5.910 4.454 1.00 0.51 C ATOM 434 CG LEU A 30 10.401 5.610 4.929 1.00 0.72 C ATOM 435 CD1 LEU A 30 10.345 5.553 6.448 1.00 1.06 C ATOM 436 CD2 LEU A 30 9.427 6.655 4.402 1.00 1.00 C ATOM 0 H LEU A 30 11.840 3.658 3.458 1.00 0.38 H new ATOM 0 HA LEU A 30 11.316 6.202 2.376 1.00 0.44 H new ATOM 0 HB2 LEU A 30 12.518 5.289 5.021 1.00 0.51 H new ATOM 0 HB3 LEU A 30 12.059 6.948 4.692 1.00 0.51 H new ATOM 0 HG LEU A 30 10.109 4.637 4.535 1.00 0.72 H new ATOM 0 HD11 LEU A 30 9.325 5.339 6.767 1.00 1.06 H new ATOM 0 HD12 LEU A 30 11.010 4.768 6.807 1.00 1.06 H new ATOM 0 HD13 LEU A 30 10.660 6.512 6.860 1.00 1.06 H new ATOM 0 HD21 LEU A 30 8.421 6.423 4.751 1.00 1.00 H new ATOM 0 HD22 LEU A 30 9.719 7.640 4.765 1.00 1.00 H new ATOM 0 HD23 LEU A 30 9.443 6.650 3.312 1.00 1.00 H new ATOM 448 N LEU A 31 14.449 5.392 2.502 1.00 0.45 N ATOM 449 CA LEU A 31 15.799 5.817 2.147 1.00 0.53 C ATOM 450 C LEU A 31 15.948 5.964 0.636 1.00 0.54 C ATOM 451 O LEU A 31 16.838 6.663 0.150 1.00 0.70 O ATOM 452 CB LEU A 31 16.830 4.812 2.672 1.00 0.58 C ATOM 453 CG LEU A 31 16.752 4.507 4.168 1.00 1.12 C ATOM 454 CD1 LEU A 31 17.781 3.455 4.542 1.00 1.59 C ATOM 455 CD2 LEU A 31 16.964 5.768 4.990 1.00 1.71 C ATOM 0 H LEU A 31 14.356 4.393 2.684 1.00 0.45 H new ATOM 0 HA LEU A 31 15.976 6.788 2.609 1.00 0.53 H new ATOM 0 HB2 LEU A 31 16.713 3.878 2.122 1.00 0.58 H new ATOM 0 HB3 LEU A 31 17.827 5.191 2.448 1.00 0.58 H new ATOM 0 HG LEU A 31 15.756 4.121 4.388 1.00 1.12 H new ATOM 0 HD11 LEU A 31 17.716 3.246 5.610 1.00 1.59 H new ATOM 0 HD12 LEU A 31 17.587 2.541 3.981 1.00 1.59 H new ATOM 0 HD13 LEU A 31 18.779 3.822 4.304 1.00 1.59 H new ATOM 0 HD21 LEU A 31 16.904 5.525 6.051 1.00 1.71 H new ATOM 0 HD22 LEU A 31 17.946 6.186 4.768 1.00 1.71 H new ATOM 0 HD23 LEU A 31 16.194 6.498 4.741 1.00 1.71 H new ATOM 467 N GLN A 32 15.066 5.313 -0.105 1.00 0.49 N ATOM 468 CA GLN A 32 15.110 5.367 -1.557 1.00 0.56 C ATOM 469 C GLN A 32 13.925 6.163 -2.097 1.00 0.48 C ATOM 470 O GLN A 32 13.327 5.804 -3.110 1.00 0.53 O ATOM 471 CB GLN A 32 15.137 3.949 -2.142 1.00 0.69 C ATOM 472 CG GLN A 32 14.010 3.053 -1.650 1.00 0.80 C ATOM 473 CD GLN A 32 14.272 1.583 -1.906 1.00 1.09 C ATOM 474 OE1 GLN A 32 13.934 1.052 -2.960 1.00 1.51 O ATOM 475 NE2 GLN A 32 14.867 0.908 -0.933 1.00 1.25 N ATOM 0 H GLN A 32 14.311 4.741 0.275 1.00 0.49 H new ATOM 0 HA GLN A 32 16.024 5.876 -1.862 1.00 0.56 H new ATOM 0 HB2 GLN A 32 15.086 4.015 -3.229 1.00 0.69 H new ATOM 0 HB3 GLN A 32 16.091 3.484 -1.895 1.00 0.69 H new ATOM 0 HG2 GLN A 32 13.867 3.211 -0.581 1.00 0.80 H new ATOM 0 HG3 GLN A 32 13.081 3.343 -2.142 1.00 0.80 H new ATOM 0 HE21 GLN A 32 15.133 1.384 -0.071 1.00 1.25 H new ATOM 0 HE22 GLN A 32 15.059 -0.087 -1.046 1.00 1.25 H new ATOM 484 N TYR A 33 13.616 7.270 -1.425 1.00 0.47 N ATOM 485 CA TYR A 33 12.502 8.138 -1.808 1.00 0.47 C ATOM 486 C TYR A 33 12.657 8.680 -3.233 1.00 0.46 C ATOM 487 O TYR A 33 11.682 9.093 -3.859 1.00 0.50 O ATOM 488 CB TYR A 33 12.369 9.300 -0.812 1.00 0.57 C ATOM 489 CG TYR A 33 13.582 10.208 -0.741 1.00 0.70 C ATOM 490 CD1 TYR A 33 14.620 9.952 0.149 1.00 1.41 C ATOM 491 CD2 TYR A 33 13.683 11.328 -1.558 1.00 1.35 C ATOM 492 CE1 TYR A 33 15.723 10.781 0.218 1.00 1.59 C ATOM 493 CE2 TYR A 33 14.783 12.161 -1.494 1.00 1.55 C ATOM 494 CZ TYR A 33 15.798 11.884 -0.603 1.00 1.27 C ATOM 495 OH TYR A 33 16.899 12.710 -0.540 1.00 1.61 O ATOM 0 H TYR A 33 14.128 7.591 -0.603 1.00 0.47 H new ATOM 0 HA TYR A 33 11.595 7.534 -1.785 1.00 0.47 H new ATOM 0 HB2 TYR A 33 11.499 9.897 -1.084 1.00 0.57 H new ATOM 0 HB3 TYR A 33 12.178 8.892 0.180 1.00 0.57 H new ATOM 0 HD1 TYR A 33 14.563 9.090 0.797 1.00 1.41 H new ATOM 0 HD2 TYR A 33 12.888 11.551 -2.254 1.00 1.35 H new ATOM 0 HE1 TYR A 33 16.522 10.565 0.912 1.00 1.59 H new ATOM 0 HE2 TYR A 33 14.848 13.025 -2.139 1.00 1.55 H new ATOM 0 HH TYR A 33 16.797 13.441 -1.185 1.00 1.61 H new ATOM 505 N ARG A 34 13.884 8.668 -3.740 1.00 0.47 N ATOM 506 CA ARG A 34 14.158 9.157 -5.088 1.00 0.53 C ATOM 507 C ARG A 34 13.603 8.194 -6.135 1.00 0.48 C ATOM 508 O ARG A 34 13.285 8.590 -7.256 1.00 0.56 O ATOM 509 CB ARG A 34 15.666 9.334 -5.292 1.00 0.64 C ATOM 510 CG ARG A 34 16.020 10.094 -6.560 1.00 1.12 C ATOM 511 CD ARG A 34 17.522 10.243 -6.721 1.00 1.55 C ATOM 512 NE ARG A 34 18.111 9.124 -7.453 1.00 2.28 N ATOM 513 CZ ARG A 34 19.420 8.964 -7.639 1.00 2.92 C ATOM 514 NH1 ARG A 34 20.283 9.811 -7.090 1.00 2.94 N ATOM 515 NH2 ARG A 34 19.865 7.944 -8.361 1.00 3.97 N ATOM 0 H ARG A 34 14.705 8.326 -3.240 1.00 0.47 H new ATOM 0 HA ARG A 34 13.666 10.122 -5.207 1.00 0.53 H new ATOM 0 HB2 ARG A 34 16.082 9.862 -4.433 1.00 0.64 H new ATOM 0 HB3 ARG A 34 16.139 8.352 -5.322 1.00 0.64 H new ATOM 0 HG2 ARG A 34 15.611 9.571 -7.424 1.00 1.12 H new ATOM 0 HG3 ARG A 34 15.556 11.080 -6.535 1.00 1.12 H new ATOM 0 HD2 ARG A 34 17.739 11.173 -7.246 1.00 1.55 H new ATOM 0 HD3 ARG A 34 17.986 10.316 -5.737 1.00 1.55 H new ATOM 0 HE ARG A 34 17.482 8.423 -7.845 1.00 2.28 H new ATOM 0 HH11 ARG A 34 19.944 10.588 -6.523 1.00 2.94 H new ATOM 0 HH12 ARG A 34 21.285 9.684 -7.235 1.00 2.94 H new ATOM 0 HH21 ARG A 34 19.205 7.284 -8.773 1.00 3.97 H new ATOM 0 HH22 ARG A 34 20.867 7.820 -8.505 1.00 3.97 H new ATOM 529 N ASP A 35 13.474 6.931 -5.750 1.00 0.46 N ATOM 530 CA ASP A 35 12.968 5.899 -6.648 1.00 0.50 C ATOM 531 C ASP A 35 11.522 5.556 -6.315 1.00 0.41 C ATOM 532 O ASP A 35 11.000 4.526 -6.743 1.00 0.38 O ATOM 533 CB ASP A 35 13.841 4.643 -6.563 1.00 0.68 C ATOM 534 CG ASP A 35 14.665 4.433 -7.815 1.00 1.04 C ATOM 535 OD1 ASP A 35 14.151 3.819 -8.771 1.00 1.58 O ATOM 536 OD2 ASP A 35 15.832 4.890 -7.856 1.00 1.70 O ATOM 0 H ASP A 35 13.714 6.595 -4.817 1.00 0.46 H new ATOM 0 HA ASP A 35 13.005 6.285 -7.667 1.00 0.50 H new ATOM 0 HB2 ASP A 35 14.505 4.722 -5.702 1.00 0.68 H new ATOM 0 HB3 ASP A 35 13.207 3.772 -6.397 1.00 0.68 H new ATOM 541 N ALA A 36 10.875 6.445 -5.559 1.00 0.40 N ATOM 542 CA ALA A 36 9.481 6.262 -5.152 1.00 0.37 C ATOM 543 C ALA A 36 8.554 5.975 -6.342 1.00 0.32 C ATOM 544 O ALA A 36 7.790 5.013 -6.300 1.00 0.33 O ATOM 545 CB ALA A 36 8.986 7.471 -4.366 1.00 0.43 C ATOM 0 H ALA A 36 11.299 7.306 -5.214 1.00 0.40 H new ATOM 0 HA ALA A 36 9.452 5.384 -4.507 1.00 0.37 H new ATOM 0 HB1 ALA A 36 7.948 7.314 -4.073 1.00 0.43 H new ATOM 0 HB2 ALA A 36 9.599 7.601 -3.474 1.00 0.43 H new ATOM 0 HB3 ALA A 36 9.057 8.363 -4.988 1.00 0.43 H new ATOM 551 N PRO A 37 8.585 6.790 -7.422 1.00 0.35 N ATOM 552 CA PRO A 37 7.724 6.562 -8.589 1.00 0.37 C ATOM 553 C PRO A 37 7.965 5.203 -9.243 1.00 0.35 C ATOM 554 O PRO A 37 7.038 4.590 -9.778 1.00 0.42 O ATOM 555 CB PRO A 37 8.099 7.690 -9.557 1.00 0.46 C ATOM 556 CG PRO A 37 9.422 8.185 -9.085 1.00 0.50 C ATOM 557 CD PRO A 37 9.418 7.998 -7.598 1.00 0.42 C ATOM 0 HA PRO A 37 6.671 6.561 -8.307 1.00 0.37 H new ATOM 0 HB2 PRO A 37 8.158 7.326 -10.583 1.00 0.46 H new ATOM 0 HB3 PRO A 37 7.353 8.485 -9.543 1.00 0.46 H new ATOM 0 HG2 PRO A 37 10.236 7.627 -9.548 1.00 0.50 H new ATOM 0 HG3 PRO A 37 9.564 9.233 -9.347 1.00 0.50 H new ATOM 0 HD2 PRO A 37 10.425 7.856 -7.206 1.00 0.42 H new ATOM 0 HD3 PRO A 37 8.994 8.860 -7.083 1.00 0.42 H new ATOM 565 N LYS A 38 9.205 4.727 -9.174 1.00 0.34 N ATOM 566 CA LYS A 38 9.569 3.454 -9.779 1.00 0.36 C ATOM 567 C LYS A 38 9.082 2.279 -8.936 1.00 0.34 C ATOM 568 O LYS A 38 8.597 1.283 -9.473 1.00 0.39 O ATOM 569 CB LYS A 38 11.086 3.367 -9.993 1.00 0.41 C ATOM 570 CG LYS A 38 11.511 2.243 -10.930 1.00 0.60 C ATOM 571 CD LYS A 38 10.943 2.432 -12.329 1.00 1.32 C ATOM 572 CE LYS A 38 11.228 1.229 -13.216 1.00 2.00 C ATOM 573 NZ LYS A 38 10.332 1.188 -14.406 1.00 2.78 N ATOM 0 H LYS A 38 9.974 5.206 -8.704 1.00 0.34 H new ATOM 0 HA LYS A 38 9.077 3.398 -10.750 1.00 0.36 H new ATOM 0 HB2 LYS A 38 11.442 4.316 -10.394 1.00 0.41 H new ATOM 0 HB3 LYS A 38 11.572 3.226 -9.028 1.00 0.41 H new ATOM 0 HG2 LYS A 38 12.599 2.204 -10.981 1.00 0.60 H new ATOM 0 HG3 LYS A 38 11.176 1.287 -10.527 1.00 0.60 H new ATOM 0 HD2 LYS A 38 9.867 2.592 -12.267 1.00 1.32 H new ATOM 0 HD3 LYS A 38 11.373 3.327 -12.779 1.00 1.32 H new ATOM 0 HE2 LYS A 38 12.267 1.259 -13.545 1.00 2.00 H new ATOM 0 HE3 LYS A 38 11.104 0.314 -12.637 1.00 2.00 H new ATOM 0 HZ1 LYS A 38 10.203 0.202 -14.710 1.00 2.78 H new ATOM 0 HZ2 LYS A 38 9.409 1.598 -14.160 1.00 2.78 H new ATOM 0 HZ3 LYS A 38 10.758 1.736 -15.181 1.00 2.78 H new ATOM 587 N VAL A 39 9.210 2.383 -7.620 1.00 0.31 N ATOM 588 CA VAL A 39 8.755 1.310 -6.749 1.00 0.31 C ATOM 589 C VAL A 39 7.228 1.282 -6.685 1.00 0.29 C ATOM 590 O VAL A 39 6.626 0.223 -6.521 1.00 0.31 O ATOM 591 CB VAL A 39 9.348 1.406 -5.322 1.00 0.34 C ATOM 592 CG1 VAL A 39 10.865 1.312 -5.367 1.00 0.39 C ATOM 593 CG2 VAL A 39 8.912 2.682 -4.623 1.00 0.33 C ATOM 0 H VAL A 39 9.618 3.185 -7.139 1.00 0.31 H new ATOM 0 HA VAL A 39 9.117 0.378 -7.184 1.00 0.31 H new ATOM 0 HB VAL A 39 8.963 0.565 -4.745 1.00 0.34 H new ATOM 0 HG11 VAL A 39 11.264 1.381 -4.355 1.00 0.39 H new ATOM 0 HG12 VAL A 39 11.158 0.359 -5.808 1.00 0.39 H new ATOM 0 HG13 VAL A 39 11.262 2.128 -5.970 1.00 0.39 H new ATOM 0 HG21 VAL A 39 9.347 2.716 -3.624 1.00 0.33 H new ATOM 0 HG22 VAL A 39 9.251 3.545 -5.196 1.00 0.33 H new ATOM 0 HG23 VAL A 39 7.825 2.702 -4.547 1.00 0.33 H new ATOM 603 N ALA A 40 6.612 2.451 -6.844 1.00 0.27 N ATOM 604 CA ALA A 40 5.159 2.563 -6.811 1.00 0.28 C ATOM 605 C ALA A 40 4.522 1.877 -8.015 1.00 0.28 C ATOM 606 O ALA A 40 3.555 1.125 -7.873 1.00 0.29 O ATOM 607 CB ALA A 40 4.745 4.023 -6.759 1.00 0.32 C ATOM 0 H ALA A 40 7.099 3.334 -6.997 1.00 0.27 H new ATOM 0 HA ALA A 40 4.805 2.060 -5.911 1.00 0.28 H new ATOM 0 HB1 ALA A 40 3.657 4.092 -6.735 1.00 0.32 H new ATOM 0 HB2 ALA A 40 5.158 4.487 -5.863 1.00 0.32 H new ATOM 0 HB3 ALA A 40 5.122 4.540 -7.642 1.00 0.32 H new ATOM 613 N GLU A 41 5.063 2.133 -9.204 1.00 0.31 N ATOM 614 CA GLU A 41 4.536 1.524 -10.419 1.00 0.36 C ATOM 615 C GLU A 41 4.733 0.012 -10.374 1.00 0.35 C ATOM 616 O GLU A 41 3.842 -0.747 -10.753 1.00 0.38 O ATOM 617 CB GLU A 41 5.199 2.119 -11.668 1.00 0.44 C ATOM 618 CG GLU A 41 6.714 2.094 -11.628 1.00 0.52 C ATOM 619 CD GLU A 41 7.347 2.465 -12.950 1.00 0.74 C ATOM 620 OE1 GLU A 41 7.447 3.672 -13.252 1.00 1.40 O ATOM 621 OE2 GLU A 41 7.756 1.548 -13.692 1.00 1.37 O ATOM 0 H GLU A 41 5.860 2.753 -9.350 1.00 0.31 H new ATOM 0 HA GLU A 41 3.469 1.739 -10.476 1.00 0.36 H new ATOM 0 HB2 GLU A 41 4.859 1.569 -12.545 1.00 0.44 H new ATOM 0 HB3 GLU A 41 4.865 3.150 -11.789 1.00 0.44 H new ATOM 0 HG2 GLU A 41 7.063 2.783 -10.859 1.00 0.52 H new ATOM 0 HG3 GLU A 41 7.048 1.097 -11.339 1.00 0.52 H new ATOM 628 N MET A 42 5.896 -0.422 -9.887 1.00 0.35 N ATOM 629 CA MET A 42 6.200 -1.847 -9.780 1.00 0.40 C ATOM 630 C MET A 42 5.265 -2.504 -8.770 1.00 0.35 C ATOM 631 O MET A 42 4.826 -3.641 -8.958 1.00 0.35 O ATOM 632 CB MET A 42 7.658 -2.063 -9.362 1.00 0.51 C ATOM 633 CG MET A 42 8.663 -1.813 -10.481 1.00 1.09 C ATOM 634 SD MET A 42 10.339 -2.328 -10.046 1.00 0.98 S ATOM 635 CE MET A 42 10.648 -1.322 -8.595 1.00 1.51 C ATOM 0 H MET A 42 6.641 0.193 -9.561 1.00 0.35 H new ATOM 0 HA MET A 42 6.052 -2.305 -10.758 1.00 0.40 H new ATOM 0 HB2 MET A 42 7.888 -1.403 -8.526 1.00 0.51 H new ATOM 0 HB3 MET A 42 7.775 -3.085 -9.003 1.00 0.51 H new ATOM 0 HG2 MET A 42 8.344 -2.348 -11.375 1.00 1.09 H new ATOM 0 HG3 MET A 42 8.667 -0.752 -10.729 1.00 1.09 H new ATOM 0 HE1 MET A 42 11.677 -1.465 -8.266 1.00 1.51 H new ATOM 0 HE2 MET A 42 10.487 -0.272 -8.839 1.00 1.51 H new ATOM 0 HE3 MET A 42 9.968 -1.617 -7.796 1.00 1.51 H new ATOM 645 N TRP A 43 4.966 -1.768 -7.704 1.00 0.32 N ATOM 646 CA TRP A 43 4.072 -2.241 -6.657 1.00 0.30 C ATOM 647 C TRP A 43 2.703 -2.550 -7.250 1.00 0.27 C ATOM 648 O TRP A 43 2.150 -3.624 -7.022 1.00 0.28 O ATOM 649 CB TRP A 43 3.955 -1.181 -5.554 1.00 0.30 C ATOM 650 CG TRP A 43 3.012 -1.541 -4.443 1.00 0.30 C ATOM 651 CD1 TRP A 43 3.213 -2.469 -3.461 1.00 0.34 C ATOM 652 CD2 TRP A 43 1.721 -0.971 -4.194 1.00 0.31 C ATOM 653 NE1 TRP A 43 2.125 -2.511 -2.621 1.00 0.37 N ATOM 654 CE2 TRP A 43 1.197 -1.601 -3.048 1.00 0.35 C ATOM 655 CE3 TRP A 43 0.957 0.012 -4.828 1.00 0.34 C ATOM 656 CZ2 TRP A 43 -0.052 -1.279 -2.526 1.00 0.40 C ATOM 657 CZ3 TRP A 43 -0.283 0.332 -4.308 1.00 0.39 C ATOM 658 CH2 TRP A 43 -0.777 -0.311 -3.166 1.00 0.41 C ATOM 0 H TRP A 43 5.336 -0.831 -7.544 1.00 0.32 H new ATOM 0 HA TRP A 43 4.477 -3.154 -6.220 1.00 0.30 H new ATOM 0 HB2 TRP A 43 4.944 -1.004 -5.131 1.00 0.30 H new ATOM 0 HB3 TRP A 43 3.627 -0.243 -6.002 1.00 0.30 H new ATOM 0 HD1 TRP A 43 4.097 -3.081 -3.359 1.00 0.34 H new ATOM 0 HE1 TRP A 43 2.026 -3.122 -1.810 1.00 0.37 H new ATOM 0 HE3 TRP A 43 1.329 0.513 -5.709 1.00 0.34 H new ATOM 0 HZ2 TRP A 43 -0.436 -1.775 -1.647 1.00 0.40 H new ATOM 0 HZ3 TRP A 43 -0.881 1.091 -4.791 1.00 0.39 H new ATOM 0 HH2 TRP A 43 -1.749 -0.037 -2.783 1.00 0.41 H new ATOM 669 N LYS A 44 2.179 -1.614 -8.039 1.00 0.27 N ATOM 670 CA LYS A 44 0.875 -1.784 -8.668 1.00 0.28 C ATOM 671 C LYS A 44 0.876 -2.997 -9.588 1.00 0.30 C ATOM 672 O LYS A 44 -0.052 -3.802 -9.567 1.00 0.31 O ATOM 673 CB LYS A 44 0.495 -0.538 -9.471 1.00 0.32 C ATOM 674 CG LYS A 44 -0.971 -0.515 -9.875 1.00 0.46 C ATOM 675 CD LYS A 44 -1.188 0.179 -11.215 1.00 0.66 C ATOM 676 CE LYS A 44 -0.910 -0.758 -12.384 1.00 1.03 C ATOM 677 NZ LYS A 44 -1.746 -0.423 -13.569 1.00 1.11 N ATOM 0 H LYS A 44 2.639 -0.730 -8.257 1.00 0.27 H new ATOM 0 HA LYS A 44 0.141 -1.936 -7.877 1.00 0.28 H new ATOM 0 HB2 LYS A 44 0.717 0.350 -8.880 1.00 0.32 H new ATOM 0 HB3 LYS A 44 1.114 -0.487 -10.367 1.00 0.32 H new ATOM 0 HG2 LYS A 44 -1.347 -1.537 -9.932 1.00 0.46 H new ATOM 0 HG3 LYS A 44 -1.550 -0.005 -9.105 1.00 0.46 H new ATOM 0 HD2 LYS A 44 -2.214 0.542 -11.275 1.00 0.66 H new ATOM 0 HD3 LYS A 44 -0.537 1.050 -11.284 1.00 0.66 H new ATOM 0 HE2 LYS A 44 0.144 -0.700 -12.654 1.00 1.03 H new ATOM 0 HE3 LYS A 44 -1.105 -1.787 -12.080 1.00 1.03 H new ATOM 0 HZ1 LYS A 44 -1.529 -1.082 -14.344 1.00 1.11 H new ATOM 0 HZ2 LYS A 44 -2.752 -0.503 -13.318 1.00 1.11 H new ATOM 0 HZ3 LYS A 44 -1.542 0.550 -13.874 1.00 1.11 H new ATOM 691 N GLU A 45 1.930 -3.120 -10.387 1.00 0.35 N ATOM 692 CA GLU A 45 2.060 -4.227 -11.325 1.00 0.41 C ATOM 693 C GLU A 45 2.073 -5.564 -10.589 1.00 0.40 C ATOM 694 O GLU A 45 1.357 -6.491 -10.959 1.00 0.46 O ATOM 695 CB GLU A 45 3.340 -4.069 -12.147 1.00 0.51 C ATOM 696 CG GLU A 45 3.378 -2.786 -12.961 1.00 0.73 C ATOM 697 CD GLU A 45 2.671 -2.905 -14.294 1.00 1.21 C ATOM 698 OE1 GLU A 45 1.655 -3.626 -14.381 1.00 1.76 O ATOM 699 OE2 GLU A 45 3.139 -2.286 -15.270 1.00 1.96 O ATOM 0 H GLU A 45 2.710 -2.463 -10.403 1.00 0.35 H new ATOM 0 HA GLU A 45 1.200 -4.212 -11.994 1.00 0.41 H new ATOM 0 HB2 GLU A 45 4.199 -4.091 -11.476 1.00 0.51 H new ATOM 0 HB3 GLU A 45 3.439 -4.921 -12.820 1.00 0.51 H new ATOM 0 HG2 GLU A 45 2.919 -1.983 -12.384 1.00 0.73 H new ATOM 0 HG3 GLU A 45 4.416 -2.502 -13.132 1.00 0.73 H new ATOM 706 N TYR A 46 2.873 -5.644 -9.530 1.00 0.39 N ATOM 707 CA TYR A 46 2.986 -6.866 -8.741 1.00 0.42 C ATOM 708 C TYR A 46 1.669 -7.191 -8.038 1.00 0.40 C ATOM 709 O TYR A 46 1.215 -8.333 -8.051 1.00 0.45 O ATOM 710 CB TYR A 46 4.112 -6.731 -7.711 1.00 0.45 C ATOM 711 CG TYR A 46 4.450 -8.024 -7.001 1.00 0.59 C ATOM 712 CD1 TYR A 46 5.191 -9.015 -7.632 1.00 1.06 C ATOM 713 CD2 TYR A 46 4.026 -8.254 -5.697 1.00 1.39 C ATOM 714 CE1 TYR A 46 5.501 -10.195 -6.985 1.00 1.12 C ATOM 715 CE2 TYR A 46 4.334 -9.431 -5.042 1.00 1.58 C ATOM 716 CZ TYR A 46 5.071 -10.400 -5.693 1.00 1.03 C ATOM 717 OH TYR A 46 5.391 -11.574 -5.044 1.00 1.27 O ATOM 0 H TYR A 46 3.454 -4.874 -9.198 1.00 0.39 H new ATOM 0 HA TYR A 46 3.221 -7.685 -9.421 1.00 0.42 H new ATOM 0 HB2 TYR A 46 5.006 -6.358 -8.211 1.00 0.45 H new ATOM 0 HB3 TYR A 46 3.826 -5.985 -6.970 1.00 0.45 H new ATOM 0 HD1 TYR A 46 5.530 -8.860 -8.646 1.00 1.06 H new ATOM 0 HD2 TYR A 46 3.446 -7.499 -5.187 1.00 1.39 H new ATOM 0 HE1 TYR A 46 6.079 -10.955 -7.491 1.00 1.12 H new ATOM 0 HE2 TYR A 46 4.000 -9.592 -4.027 1.00 1.58 H new ATOM 0 HH TYR A 46 5.013 -11.561 -4.140 1.00 1.27 H new ATOM 727 N MET A 47 1.048 -6.177 -7.455 1.00 0.36 N ATOM 728 CA MET A 47 -0.209 -6.354 -6.732 1.00 0.39 C ATOM 729 C MET A 47 -1.353 -6.759 -7.659 1.00 0.37 C ATOM 730 O MET A 47 -2.342 -7.345 -7.217 1.00 0.43 O ATOM 731 CB MET A 47 -0.578 -5.071 -5.989 1.00 0.42 C ATOM 732 CG MET A 47 0.273 -4.817 -4.754 1.00 0.57 C ATOM 733 SD MET A 47 -0.225 -5.823 -3.342 1.00 0.70 S ATOM 734 CE MET A 47 -1.744 -5.003 -2.866 1.00 0.37 C ATOM 0 H MET A 47 1.393 -5.217 -7.467 1.00 0.36 H new ATOM 0 HA MET A 47 -0.058 -7.162 -6.017 1.00 0.39 H new ATOM 0 HB2 MET A 47 -0.478 -4.225 -6.669 1.00 0.42 H new ATOM 0 HB3 MET A 47 -1.626 -5.120 -5.694 1.00 0.42 H new ATOM 0 HG2 MET A 47 1.317 -5.022 -4.990 1.00 0.57 H new ATOM 0 HG3 MET A 47 0.208 -3.763 -4.484 1.00 0.57 H new ATOM 0 HE1 MET A 47 -2.410 -5.720 -2.387 1.00 0.37 H new ATOM 0 HE2 MET A 47 -1.519 -4.195 -2.169 1.00 0.37 H new ATOM 0 HE3 MET A 47 -2.229 -4.593 -3.752 1.00 0.37 H new ATOM 744 N LEU A 48 -1.226 -6.449 -8.940 1.00 0.37 N ATOM 745 CA LEU A 48 -2.263 -6.789 -9.903 1.00 0.41 C ATOM 746 C LEU A 48 -1.909 -8.051 -10.683 1.00 0.46 C ATOM 747 O LEU A 48 -2.603 -8.417 -11.630 1.00 0.59 O ATOM 748 CB LEU A 48 -2.515 -5.621 -10.860 1.00 0.45 C ATOM 749 CG LEU A 48 -3.142 -4.379 -10.215 1.00 0.57 C ATOM 750 CD1 LEU A 48 -3.458 -3.335 -11.272 1.00 0.63 C ATOM 751 CD2 LEU A 48 -4.400 -4.749 -9.443 1.00 0.88 C ATOM 0 H LEU A 48 -0.420 -5.965 -9.336 1.00 0.37 H new ATOM 0 HA LEU A 48 -3.178 -6.988 -9.346 1.00 0.41 H new ATOM 0 HB2 LEU A 48 -1.568 -5.335 -11.318 1.00 0.45 H new ATOM 0 HB3 LEU A 48 -3.167 -5.963 -11.663 1.00 0.45 H new ATOM 0 HG LEU A 48 -2.421 -3.958 -9.514 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -3.902 -2.460 -10.798 1.00 0.63 H new ATOM 0 HD12 LEU A 48 -2.540 -3.044 -11.782 1.00 0.63 H new ATOM 0 HD13 LEU A 48 -4.159 -3.751 -11.996 1.00 0.63 H new ATOM 0 HD21 LEU A 48 -4.828 -3.853 -8.994 1.00 0.88 H new ATOM 0 HD22 LEU A 48 -5.125 -5.196 -10.122 1.00 0.88 H new ATOM 0 HD23 LEU A 48 -4.149 -5.463 -8.659 1.00 0.88 H new ATOM 763 N ARG A 49 -0.836 -8.718 -10.284 1.00 0.46 N ATOM 764 CA ARG A 49 -0.422 -9.944 -10.950 1.00 0.53 C ATOM 765 C ARG A 49 -1.178 -11.131 -10.370 1.00 0.54 C ATOM 766 O ARG A 49 -1.274 -11.278 -9.149 1.00 0.49 O ATOM 767 CB ARG A 49 1.088 -10.159 -10.820 1.00 0.60 C ATOM 768 CG ARG A 49 1.898 -9.373 -11.840 1.00 0.74 C ATOM 769 CD ARG A 49 3.393 -9.519 -11.601 1.00 1.01 C ATOM 770 NE ARG A 49 3.956 -10.681 -12.291 1.00 1.38 N ATOM 771 CZ ARG A 49 5.248 -11.016 -12.252 1.00 1.90 C ATOM 772 NH1 ARG A 49 6.102 -10.305 -11.520 1.00 2.19 N ATOM 773 NH2 ARG A 49 5.685 -12.063 -12.938 1.00 2.69 N ATOM 0 H ARG A 49 -0.239 -8.433 -9.507 1.00 0.46 H new ATOM 0 HA ARG A 49 -0.658 -9.855 -12.010 1.00 0.53 H new ATOM 0 HB2 ARG A 49 1.404 -9.872 -9.817 1.00 0.60 H new ATOM 0 HB3 ARG A 49 1.308 -11.221 -10.932 1.00 0.60 H new ATOM 0 HG2 ARG A 49 1.654 -9.720 -12.844 1.00 0.74 H new ATOM 0 HG3 ARG A 49 1.622 -8.320 -11.791 1.00 0.74 H new ATOM 0 HD2 ARG A 49 3.902 -8.617 -11.939 1.00 1.01 H new ATOM 0 HD3 ARG A 49 3.580 -9.609 -10.531 1.00 1.01 H new ATOM 0 HE ARG A 49 3.324 -11.270 -12.834 1.00 1.38 H new ATOM 0 HH11 ARG A 49 5.770 -9.501 -10.986 1.00 2.19 H new ATOM 0 HH12 ARG A 49 7.088 -10.564 -11.492 1.00 2.19 H new ATOM 0 HH21 ARG A 49 5.034 -12.614 -13.497 1.00 2.69 H new ATOM 0 HH22 ARG A 49 6.672 -12.317 -12.907 1.00 2.69 H new ATOM 787 N PRO A 50 -1.727 -11.994 -11.239 1.00 0.65 N ATOM 788 CA PRO A 50 -2.490 -13.175 -10.812 1.00 0.71 C ATOM 789 C PRO A 50 -1.619 -14.213 -10.108 1.00 0.73 C ATOM 790 O PRO A 50 -2.123 -15.159 -9.505 1.00 0.78 O ATOM 791 CB PRO A 50 -3.041 -13.741 -12.123 1.00 0.89 C ATOM 792 CG PRO A 50 -2.110 -13.241 -13.170 1.00 0.94 C ATOM 793 CD PRO A 50 -1.656 -11.887 -12.706 1.00 0.77 C ATOM 0 HA PRO A 50 -3.261 -12.915 -10.087 1.00 0.71 H new ATOM 0 HB2 PRO A 50 -3.067 -14.831 -12.104 1.00 0.89 H new ATOM 0 HB3 PRO A 50 -4.060 -13.400 -12.304 1.00 0.89 H new ATOM 0 HG2 PRO A 50 -1.263 -13.916 -13.294 1.00 0.94 H new ATOM 0 HG3 PRO A 50 -2.609 -13.175 -14.137 1.00 0.94 H new ATOM 0 HD2 PRO A 50 -0.645 -11.663 -13.045 1.00 0.77 H new ATOM 0 HD3 PRO A 50 -2.302 -11.094 -13.084 1.00 0.77 H new ATOM 801 N SER A 51 -0.310 -14.031 -10.194 1.00 0.75 N ATOM 802 CA SER A 51 0.639 -14.935 -9.565 1.00 0.84 C ATOM 803 C SER A 51 0.716 -14.673 -8.064 1.00 0.76 C ATOM 804 O SER A 51 1.202 -15.504 -7.296 1.00 0.90 O ATOM 805 CB SER A 51 2.010 -14.751 -10.210 1.00 0.96 C ATOM 806 OG SER A 51 2.051 -13.537 -10.950 1.00 1.33 O ATOM 0 H SER A 51 0.122 -13.257 -10.699 1.00 0.75 H new ATOM 0 HA SER A 51 0.306 -15.963 -9.710 1.00 0.84 H new ATOM 0 HB2 SER A 51 2.782 -14.742 -9.441 1.00 0.96 H new ATOM 0 HB3 SER A 51 2.225 -15.593 -10.868 1.00 0.96 H new ATOM 0 HG SER A 51 2.936 -13.431 -11.357 1.00 1.33 H new ATOM 812 N VAL A 52 0.216 -13.516 -7.654 1.00 0.59 N ATOM 813 CA VAL A 52 0.226 -13.125 -6.256 1.00 0.56 C ATOM 814 C VAL A 52 -1.068 -13.547 -5.567 1.00 0.50 C ATOM 815 O VAL A 52 -2.163 -13.194 -6.004 1.00 0.51 O ATOM 816 CB VAL A 52 0.416 -11.600 -6.112 1.00 0.52 C ATOM 817 CG1 VAL A 52 0.513 -11.194 -4.650 1.00 0.58 C ATOM 818 CG2 VAL A 52 1.650 -11.144 -6.875 1.00 0.57 C ATOM 0 H VAL A 52 -0.205 -12.828 -8.278 1.00 0.59 H new ATOM 0 HA VAL A 52 1.064 -13.631 -5.777 1.00 0.56 H new ATOM 0 HB VAL A 52 -0.459 -11.110 -6.539 1.00 0.52 H new ATOM 0 HG11 VAL A 52 0.646 -10.114 -4.580 1.00 0.58 H new ATOM 0 HG12 VAL A 52 -0.402 -11.481 -4.131 1.00 0.58 H new ATOM 0 HG13 VAL A 52 1.364 -11.695 -4.189 1.00 0.58 H new ATOM 0 HG21 VAL A 52 1.769 -10.066 -6.763 1.00 0.57 H new ATOM 0 HG22 VAL A 52 2.530 -11.650 -6.479 1.00 0.57 H new ATOM 0 HG23 VAL A 52 1.536 -11.389 -7.931 1.00 0.57 H new ATOM 828 N ASN A 53 -0.927 -14.315 -4.494 1.00 0.51 N ATOM 829 CA ASN A 53 -2.075 -14.794 -3.731 1.00 0.52 C ATOM 830 C ASN A 53 -2.746 -13.640 -2.988 1.00 0.48 C ATOM 831 O ASN A 53 -2.097 -12.644 -2.656 1.00 0.47 O ATOM 832 CB ASN A 53 -1.632 -15.883 -2.744 1.00 0.61 C ATOM 833 CG ASN A 53 -2.772 -16.405 -1.886 1.00 1.09 C ATOM 834 OD1 ASN A 53 -3.035 -15.881 -0.805 1.00 1.80 O ATOM 835 ND2 ASN A 53 -3.451 -17.438 -2.358 1.00 1.64 N ATOM 0 H ASN A 53 -0.025 -14.621 -4.130 1.00 0.51 H new ATOM 0 HA ASN A 53 -2.801 -15.221 -4.423 1.00 0.52 H new ATOM 0 HB2 ASN A 53 -1.193 -16.712 -3.299 1.00 0.61 H new ATOM 0 HB3 ASN A 53 -0.851 -15.484 -2.097 1.00 0.61 H new ATOM 0 HD21 ASN A 53 -4.225 -17.828 -1.820 1.00 1.64 H new ATOM 0 HD22 ASN A 53 -3.201 -17.844 -3.260 1.00 1.64 H new ATOM 842 N THR A 54 -4.039 -13.789 -2.727 1.00 0.48 N ATOM 843 CA THR A 54 -4.831 -12.780 -2.037 1.00 0.49 C ATOM 844 C THR A 54 -4.206 -12.362 -0.698 1.00 0.47 C ATOM 845 O THR A 54 -4.203 -11.181 -0.349 1.00 0.47 O ATOM 846 CB THR A 54 -6.251 -13.318 -1.797 1.00 0.57 C ATOM 847 OG1 THR A 54 -6.419 -14.544 -2.524 1.00 0.75 O ATOM 848 CG2 THR A 54 -7.301 -12.310 -2.243 1.00 0.81 C ATOM 0 H THR A 54 -4.570 -14.619 -2.990 1.00 0.48 H new ATOM 0 HA THR A 54 -4.862 -11.896 -2.673 1.00 0.49 H new ATOM 0 HB THR A 54 -6.382 -13.494 -0.729 1.00 0.57 H new ATOM 0 HG1 THR A 54 -7.322 -14.893 -2.373 1.00 0.75 H new ATOM 0 HG21 THR A 54 -8.296 -12.717 -2.062 1.00 0.81 H new ATOM 0 HG22 THR A 54 -7.179 -11.385 -1.680 1.00 0.81 H new ATOM 0 HG23 THR A 54 -7.181 -12.106 -3.307 1.00 0.81 H new ATOM 856 N ARG A 55 -3.663 -13.327 0.034 1.00 0.50 N ATOM 857 CA ARG A 55 -3.043 -13.051 1.326 1.00 0.54 C ATOM 858 C ARG A 55 -1.759 -12.250 1.154 1.00 0.49 C ATOM 859 O ARG A 55 -1.415 -11.423 1.995 1.00 0.50 O ATOM 860 CB ARG A 55 -2.743 -14.353 2.072 1.00 0.65 C ATOM 861 CG ARG A 55 -3.968 -14.992 2.702 1.00 0.94 C ATOM 862 CD ARG A 55 -4.422 -14.225 3.934 1.00 1.52 C ATOM 863 NE ARG A 55 -5.624 -14.806 4.525 1.00 2.10 N ATOM 864 CZ ARG A 55 -6.005 -14.617 5.786 1.00 2.74 C ATOM 865 NH1 ARG A 55 -5.274 -13.869 6.605 1.00 3.00 N ATOM 866 NH2 ARG A 55 -7.116 -15.187 6.231 1.00 3.58 N ATOM 0 H ARG A 55 -3.639 -14.308 -0.244 1.00 0.50 H new ATOM 0 HA ARG A 55 -3.748 -12.461 1.912 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -2.290 -15.062 1.379 1.00 0.65 H new ATOM 0 HB3 ARG A 55 -2.007 -14.154 2.851 1.00 0.65 H new ATOM 0 HG2 ARG A 55 -4.778 -15.026 1.973 1.00 0.94 H new ATOM 0 HG3 ARG A 55 -3.743 -16.023 2.976 1.00 0.94 H new ATOM 0 HD2 ARG A 55 -3.621 -14.218 4.673 1.00 1.52 H new ATOM 0 HD3 ARG A 55 -4.615 -13.187 3.664 1.00 1.52 H new ATOM 0 HE ARG A 55 -6.210 -15.395 3.933 1.00 2.10 H new ATOM 0 HH11 ARG A 55 -4.414 -13.435 6.269 1.00 3.00 H new ATOM 0 HH12 ARG A 55 -5.572 -13.729 7.570 1.00 3.00 H new ATOM 0 HH21 ARG A 55 -7.676 -15.768 5.607 1.00 3.58 H new ATOM 0 HH22 ARG A 55 -7.411 -15.044 7.197 1.00 3.58 H new ATOM 880 N ARG A 56 -1.061 -12.487 0.050 1.00 0.49 N ATOM 881 CA ARG A 56 0.185 -11.780 -0.222 1.00 0.48 C ATOM 882 C ARG A 56 -0.106 -10.328 -0.574 1.00 0.43 C ATOM 883 O ARG A 56 0.678 -9.434 -0.259 1.00 0.46 O ATOM 884 CB ARG A 56 0.960 -12.461 -1.353 1.00 0.53 C ATOM 885 CG ARG A 56 1.560 -13.801 -0.959 1.00 0.67 C ATOM 886 CD ARG A 56 2.648 -13.641 0.091 1.00 0.84 C ATOM 887 NE ARG A 56 3.175 -14.931 0.535 1.00 1.55 N ATOM 888 CZ ARG A 56 4.378 -15.407 0.202 1.00 2.18 C ATOM 889 NH1 ARG A 56 5.176 -14.711 -0.602 1.00 2.58 N ATOM 890 NH2 ARG A 56 4.778 -16.579 0.674 1.00 3.05 N ATOM 0 H ARG A 56 -1.334 -13.159 -0.667 1.00 0.49 H new ATOM 0 HA ARG A 56 0.803 -11.808 0.676 1.00 0.48 H new ATOM 0 HB2 ARG A 56 0.293 -12.607 -2.203 1.00 0.53 H new ATOM 0 HB3 ARG A 56 1.759 -11.798 -1.685 1.00 0.53 H new ATOM 0 HG2 ARG A 56 0.775 -14.452 -0.574 1.00 0.67 H new ATOM 0 HG3 ARG A 56 1.974 -14.288 -1.842 1.00 0.67 H new ATOM 0 HD2 ARG A 56 3.460 -13.039 -0.317 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.248 -13.098 0.948 1.00 0.84 H new ATOM 0 HE ARG A 56 2.586 -15.505 1.138 1.00 1.55 H new ATOM 0 HH11 ARG A 56 4.871 -13.809 -0.968 1.00 2.58 H new ATOM 0 HH12 ARG A 56 6.094 -15.079 -0.853 1.00 2.58 H new ATOM 0 HH21 ARG A 56 4.168 -17.116 1.290 1.00 3.05 H new ATOM 0 HH22 ARG A 56 5.696 -16.944 0.421 1.00 3.05 H new ATOM 904 N LYS A 57 -1.248 -10.101 -1.217 1.00 0.38 N ATOM 905 CA LYS A 57 -1.660 -8.753 -1.589 1.00 0.36 C ATOM 906 C LYS A 57 -1.977 -7.954 -0.331 1.00 0.35 C ATOM 907 O LYS A 57 -1.732 -6.751 -0.262 1.00 0.36 O ATOM 908 CB LYS A 57 -2.880 -8.790 -2.516 1.00 0.37 C ATOM 909 CG LYS A 57 -2.642 -9.545 -3.813 1.00 0.39 C ATOM 910 CD LYS A 57 -3.766 -9.313 -4.807 1.00 0.59 C ATOM 911 CE LYS A 57 -3.567 -10.140 -6.065 1.00 0.50 C ATOM 912 NZ LYS A 57 -4.110 -9.460 -7.267 1.00 0.46 N ATOM 0 H LYS A 57 -1.903 -10.833 -1.491 1.00 0.38 H new ATOM 0 HA LYS A 57 -0.843 -8.273 -2.128 1.00 0.36 H new ATOM 0 HB2 LYS A 57 -3.714 -9.251 -1.986 1.00 0.37 H new ATOM 0 HB3 LYS A 57 -3.177 -7.768 -2.751 1.00 0.37 H new ATOM 0 HG2 LYS A 57 -1.696 -9.228 -4.252 1.00 0.39 H new ATOM 0 HG3 LYS A 57 -2.554 -10.611 -3.604 1.00 0.39 H new ATOM 0 HD2 LYS A 57 -4.720 -9.570 -4.347 1.00 0.59 H new ATOM 0 HD3 LYS A 57 -3.812 -8.256 -5.067 1.00 0.59 H new ATOM 0 HE2 LYS A 57 -2.504 -10.334 -6.207 1.00 0.50 H new ATOM 0 HE3 LYS A 57 -4.054 -11.107 -5.944 1.00 0.50 H new ATOM 0 HZ1 LYS A 57 -4.172 -10.140 -8.052 1.00 0.46 H new ATOM 0 HZ2 LYS A 57 -5.057 -9.086 -7.056 1.00 0.46 H new ATOM 0 HZ3 LYS A 57 -3.481 -8.677 -7.537 1.00 0.46 H new ATOM 926 N LEU A 58 -2.515 -8.642 0.670 1.00 0.36 N ATOM 927 CA LEU A 58 -2.848 -8.013 1.939 1.00 0.37 C ATOM 928 C LEU A 58 -1.578 -7.497 2.609 1.00 0.37 C ATOM 929 O LEU A 58 -1.541 -6.377 3.120 1.00 0.38 O ATOM 930 CB LEU A 58 -3.568 -9.011 2.852 1.00 0.42 C ATOM 931 CG LEU A 58 -4.002 -8.464 4.213 1.00 0.77 C ATOM 932 CD1 LEU A 58 -5.137 -7.460 4.056 1.00 1.26 C ATOM 933 CD2 LEU A 58 -4.417 -9.600 5.131 1.00 1.15 C ATOM 0 H LEU A 58 -2.730 -9.638 0.625 1.00 0.36 H new ATOM 0 HA LEU A 58 -3.516 -7.171 1.755 1.00 0.37 H new ATOM 0 HB2 LEU A 58 -4.451 -9.382 2.331 1.00 0.42 H new ATOM 0 HB3 LEU A 58 -2.912 -9.866 3.016 1.00 0.42 H new ATOM 0 HG LEU A 58 -3.153 -7.948 4.662 1.00 0.77 H new ATOM 0 HD11 LEU A 58 -5.429 -7.085 5.037 1.00 1.26 H new ATOM 0 HD12 LEU A 58 -4.804 -6.629 3.434 1.00 1.26 H new ATOM 0 HD13 LEU A 58 -5.991 -7.947 3.585 1.00 1.26 H new ATOM 0 HD21 LEU A 58 -4.723 -9.195 6.096 1.00 1.15 H new ATOM 0 HD22 LEU A 58 -5.250 -10.143 4.684 1.00 1.15 H new ATOM 0 HD23 LEU A 58 -3.576 -10.279 5.273 1.00 1.15 H new ATOM 945 N LEU A 59 -0.534 -8.319 2.581 1.00 0.38 N ATOM 946 CA LEU A 59 0.751 -7.948 3.164 1.00 0.40 C ATOM 947 C LEU A 59 1.356 -6.780 2.394 1.00 0.37 C ATOM 948 O LEU A 59 1.912 -5.854 2.986 1.00 0.38 O ATOM 949 CB LEU A 59 1.711 -9.141 3.149 1.00 0.45 C ATOM 950 CG LEU A 59 1.309 -10.318 4.042 1.00 0.63 C ATOM 951 CD1 LEU A 59 2.287 -11.469 3.880 1.00 1.54 C ATOM 952 CD2 LEU A 59 1.235 -9.885 5.499 1.00 1.21 C ATOM 0 H LEU A 59 -0.553 -9.248 2.160 1.00 0.38 H new ATOM 0 HA LEU A 59 0.589 -7.646 4.199 1.00 0.40 H new ATOM 0 HB2 LEU A 59 1.802 -9.499 2.124 1.00 0.45 H new ATOM 0 HB3 LEU A 59 2.698 -8.795 3.455 1.00 0.45 H new ATOM 0 HG LEU A 59 0.321 -10.659 3.734 1.00 0.63 H new ATOM 0 HD11 LEU A 59 1.985 -12.296 4.522 1.00 1.54 H new ATOM 0 HD12 LEU A 59 2.292 -11.799 2.841 1.00 1.54 H new ATOM 0 HD13 LEU A 59 3.287 -11.139 4.160 1.00 1.54 H new ATOM 0 HD21 LEU A 59 0.948 -10.736 6.117 1.00 1.21 H new ATOM 0 HD22 LEU A 59 2.210 -9.516 5.819 1.00 1.21 H new ATOM 0 HD23 LEU A 59 0.494 -9.092 5.606 1.00 1.21 H new ATOM 964 N GLY A 60 1.231 -6.826 1.069 1.00 0.37 N ATOM 965 CA GLY A 60 1.756 -5.762 0.231 1.00 0.37 C ATOM 966 C GLY A 60 1.058 -4.445 0.494 1.00 0.35 C ATOM 967 O GLY A 60 1.652 -3.373 0.357 1.00 0.36 O ATOM 0 H GLY A 60 0.774 -7.583 0.561 1.00 0.37 H new ATOM 0 HA2 GLY A 60 2.825 -5.650 0.413 1.00 0.37 H new ATOM 0 HA3 GLY A 60 1.638 -6.033 -0.818 1.00 0.37 H new ATOM 971 N LEU A 61 -0.209 -4.529 0.875 1.00 0.35 N ATOM 972 CA LEU A 61 -1.000 -3.348 1.185 1.00 0.36 C ATOM 973 C LEU A 61 -0.537 -2.737 2.505 1.00 0.35 C ATOM 974 O LEU A 61 -0.465 -1.517 2.646 1.00 0.36 O ATOM 975 CB LEU A 61 -2.485 -3.714 1.267 1.00 0.40 C ATOM 976 CG LEU A 61 -3.431 -2.541 1.541 1.00 0.52 C ATOM 977 CD1 LEU A 61 -3.576 -1.673 0.302 1.00 1.23 C ATOM 978 CD2 LEU A 61 -4.790 -3.045 2.005 1.00 1.10 C ATOM 0 H LEU A 61 -0.713 -5.410 0.977 1.00 0.35 H new ATOM 0 HA LEU A 61 -0.862 -2.615 0.390 1.00 0.36 H new ATOM 0 HB2 LEU A 61 -2.779 -4.186 0.329 1.00 0.40 H new ATOM 0 HB3 LEU A 61 -2.617 -4.458 2.053 1.00 0.40 H new ATOM 0 HG LEU A 61 -3.002 -1.933 2.338 1.00 0.52 H new ATOM 0 HD11 LEU A 61 -4.252 -0.845 0.515 1.00 1.23 H new ATOM 0 HD12 LEU A 61 -2.600 -1.281 0.016 1.00 1.23 H new ATOM 0 HD13 LEU A 61 -3.981 -2.270 -0.515 1.00 1.23 H new ATOM 0 HD21 LEU A 61 -5.447 -2.196 2.194 1.00 1.10 H new ATOM 0 HD22 LEU A 61 -5.227 -3.677 1.232 1.00 1.10 H new ATOM 0 HD23 LEU A 61 -4.670 -3.623 2.921 1.00 1.10 H new ATOM 990 N TYR A 62 -0.210 -3.599 3.462 1.00 0.36 N ATOM 991 CA TYR A 62 0.251 -3.151 4.769 1.00 0.37 C ATOM 992 C TYR A 62 1.596 -2.444 4.649 1.00 0.34 C ATOM 993 O TYR A 62 1.898 -1.524 5.409 1.00 0.35 O ATOM 994 CB TYR A 62 0.365 -4.332 5.736 1.00 0.44 C ATOM 995 CG TYR A 62 -0.969 -4.878 6.200 1.00 0.53 C ATOM 996 CD1 TYR A 62 -2.036 -4.028 6.471 1.00 1.23 C ATOM 997 CD2 TYR A 62 -1.162 -6.243 6.369 1.00 1.30 C ATOM 998 CE1 TYR A 62 -3.252 -4.522 6.895 1.00 1.35 C ATOM 999 CE2 TYR A 62 -2.377 -6.744 6.794 1.00 1.38 C ATOM 1000 CZ TYR A 62 -3.418 -5.879 7.054 1.00 0.89 C ATOM 1001 OH TYR A 62 -4.631 -6.373 7.472 1.00 1.10 O ATOM 0 H TYR A 62 -0.256 -4.612 3.356 1.00 0.36 H new ATOM 0 HA TYR A 62 -0.482 -2.447 5.163 1.00 0.37 H new ATOM 0 HB2 TYR A 62 0.925 -5.132 5.252 1.00 0.44 H new ATOM 0 HB3 TYR A 62 0.942 -4.021 6.607 1.00 0.44 H new ATOM 0 HD1 TYR A 62 -1.910 -2.963 6.347 1.00 1.23 H new ATOM 0 HD2 TYR A 62 -0.349 -6.924 6.165 1.00 1.30 H new ATOM 0 HE1 TYR A 62 -4.070 -3.847 7.101 1.00 1.35 H new ATOM 0 HE2 TYR A 62 -2.511 -7.808 6.922 1.00 1.38 H new ATOM 0 HH TYR A 62 -5.174 -5.643 7.836 1.00 1.10 H new ATOM 1011 N LEU A 63 2.394 -2.874 3.679 1.00 0.33 N ATOM 1012 CA LEU A 63 3.701 -2.282 3.446 1.00 0.34 C ATOM 1013 C LEU A 63 3.561 -0.835 2.986 1.00 0.32 C ATOM 1014 O LEU A 63 4.262 0.053 3.477 1.00 0.35 O ATOM 1015 CB LEU A 63 4.474 -3.095 2.400 1.00 0.36 C ATOM 1016 CG LEU A 63 5.820 -2.501 1.967 1.00 0.52 C ATOM 1017 CD1 LEU A 63 6.761 -2.375 3.155 1.00 1.21 C ATOM 1018 CD2 LEU A 63 6.449 -3.352 0.872 1.00 1.45 C ATOM 0 H LEU A 63 2.156 -3.633 3.041 1.00 0.33 H new ATOM 0 HA LEU A 63 4.256 -2.295 4.384 1.00 0.34 H new ATOM 0 HB2 LEU A 63 4.649 -4.094 2.798 1.00 0.36 H new ATOM 0 HB3 LEU A 63 3.846 -3.209 1.517 1.00 0.36 H new ATOM 0 HG LEU A 63 5.642 -1.502 1.569 1.00 0.52 H new ATOM 0 HD11 LEU A 63 7.709 -1.952 2.825 1.00 1.21 H new ATOM 0 HD12 LEU A 63 6.314 -1.723 3.905 1.00 1.21 H new ATOM 0 HD13 LEU A 63 6.935 -3.360 3.588 1.00 1.21 H new ATOM 0 HD21 LEU A 63 7.403 -2.917 0.576 1.00 1.45 H new ATOM 0 HD22 LEU A 63 6.611 -4.363 1.245 1.00 1.45 H new ATOM 0 HD23 LEU A 63 5.783 -3.386 0.010 1.00 1.45 H new ATOM 1030 N MET A 64 2.635 -0.599 2.063 1.00 0.31 N ATOM 1031 CA MET A 64 2.414 0.743 1.539 1.00 0.34 C ATOM 1032 C MET A 64 1.846 1.663 2.621 1.00 0.32 C ATOM 1033 O MET A 64 2.186 2.840 2.677 1.00 0.33 O ATOM 1034 CB MET A 64 1.504 0.703 0.298 1.00 0.38 C ATOM 1035 CG MET A 64 0.014 0.791 0.594 1.00 0.61 C ATOM 1036 SD MET A 64 -0.691 2.386 0.130 1.00 0.47 S ATOM 1037 CE MET A 64 -2.398 2.153 0.619 1.00 0.50 C ATOM 0 H MET A 64 2.028 -1.316 1.664 1.00 0.31 H new ATOM 0 HA MET A 64 3.376 1.152 1.230 1.00 0.34 H new ATOM 0 HB2 MET A 64 1.778 1.526 -0.362 1.00 0.38 H new ATOM 0 HB3 MET A 64 1.698 -0.221 -0.247 1.00 0.38 H new ATOM 0 HG2 MET A 64 -0.507 -0.002 0.058 1.00 0.61 H new ATOM 0 HG3 MET A 64 -0.152 0.620 1.658 1.00 0.61 H new ATOM 0 HE1 MET A 64 -2.981 3.028 0.331 1.00 0.50 H new ATOM 0 HE2 MET A 64 -2.801 1.269 0.124 1.00 0.50 H new ATOM 0 HE3 MET A 64 -2.452 2.020 1.700 1.00 0.50 H new ATOM 1047 N ASN A 65 1.016 1.109 3.505 1.00 0.34 N ATOM 1048 CA ASN A 65 0.413 1.890 4.590 1.00 0.36 C ATOM 1049 C ASN A 65 1.489 2.414 5.533 1.00 0.35 C ATOM 1050 O ASN A 65 1.409 3.534 6.036 1.00 0.41 O ATOM 1051 CB ASN A 65 -0.590 1.037 5.378 1.00 0.42 C ATOM 1052 CG ASN A 65 -1.295 1.821 6.476 1.00 1.06 C ATOM 1053 OD1 ASN A 65 -2.293 2.490 6.228 1.00 1.56 O ATOM 1054 ND2 ASN A 65 -0.789 1.736 7.698 1.00 1.69 N ATOM 0 H ASN A 65 0.745 0.126 3.493 1.00 0.34 H new ATOM 0 HA ASN A 65 -0.113 2.734 4.145 1.00 0.36 H new ATOM 0 HB2 ASN A 65 -1.334 0.632 4.692 1.00 0.42 H new ATOM 0 HB3 ASN A 65 -0.069 0.188 5.821 1.00 0.42 H new ATOM 0 HD21 ASN A 65 -1.231 2.237 8.469 1.00 1.69 H new ATOM 0 HD22 ASN A 65 0.042 1.170 7.867 1.00 1.69 H new ATOM 1061 N HIS A 66 2.499 1.591 5.753 1.00 0.34 N ATOM 1062 CA HIS A 66 3.603 1.936 6.635 1.00 0.37 C ATOM 1063 C HIS A 66 4.452 3.063 6.047 1.00 0.36 C ATOM 1064 O HIS A 66 4.670 4.092 6.691 1.00 0.40 O ATOM 1065 CB HIS A 66 4.473 0.696 6.870 1.00 0.44 C ATOM 1066 CG HIS A 66 5.277 0.732 8.137 1.00 0.61 C ATOM 1067 ND1 HIS A 66 5.966 1.857 8.526 1.00 1.54 N ATOM 1068 CD2 HIS A 66 5.463 -0.241 9.058 1.00 1.09 C ATOM 1069 CE1 HIS A 66 6.546 1.545 9.670 1.00 1.46 C ATOM 1070 NE2 HIS A 66 6.270 0.285 10.028 1.00 1.04 N ATOM 0 H HIS A 66 2.578 0.667 5.327 1.00 0.34 H new ATOM 0 HA HIS A 66 3.192 2.285 7.582 1.00 0.37 H new ATOM 0 HB2 HIS A 66 3.831 -0.185 6.887 1.00 0.44 H new ATOM 0 HB3 HIS A 66 5.153 0.579 6.026 1.00 0.44 H new ATOM 0 HD2 HIS A 66 5.053 -1.240 9.032 1.00 1.09 H new ATOM 0 HE1 HIS A 66 7.164 2.220 10.244 1.00 1.46 H new ATOM 0 HE2 HIS A 66 6.600 -0.193 10.867 1.00 1.04 H new ATOM 1078 N VAL A 67 4.894 2.874 4.810 1.00 0.35 N ATOM 1079 CA VAL A 67 5.753 3.846 4.147 1.00 0.39 C ATOM 1080 C VAL A 67 5.067 5.203 3.935 1.00 0.39 C ATOM 1081 O VAL A 67 5.696 6.242 4.122 1.00 0.48 O ATOM 1082 CB VAL A 67 6.300 3.297 2.804 1.00 0.42 C ATOM 1083 CG1 VAL A 67 5.204 3.169 1.756 1.00 1.16 C ATOM 1084 CG2 VAL A 67 7.435 4.169 2.292 1.00 1.40 C ATOM 0 H VAL A 67 4.671 2.055 4.245 1.00 0.35 H new ATOM 0 HA VAL A 67 6.593 4.015 4.821 1.00 0.39 H new ATOM 0 HB VAL A 67 6.687 2.296 2.993 1.00 0.42 H new ATOM 0 HG11 VAL A 67 5.629 2.781 0.830 1.00 1.16 H new ATOM 0 HG12 VAL A 67 4.434 2.486 2.116 1.00 1.16 H new ATOM 0 HG13 VAL A 67 4.762 4.148 1.570 1.00 1.16 H new ATOM 0 HG21 VAL A 67 7.805 3.767 1.349 1.00 1.40 H new ATOM 0 HG22 VAL A 67 7.072 5.185 2.136 1.00 1.40 H new ATOM 0 HG23 VAL A 67 8.243 4.181 3.023 1.00 1.40 H new ATOM 1094 N VAL A 68 3.782 5.210 3.580 1.00 0.34 N ATOM 1095 CA VAL A 68 3.084 6.475 3.350 1.00 0.37 C ATOM 1096 C VAL A 68 2.791 7.199 4.661 1.00 0.39 C ATOM 1097 O VAL A 68 2.642 8.421 4.684 1.00 0.43 O ATOM 1098 CB VAL A 68 1.770 6.300 2.551 1.00 0.38 C ATOM 1099 CG1 VAL A 68 2.049 5.696 1.183 1.00 0.41 C ATOM 1100 CG2 VAL A 68 0.759 5.460 3.321 1.00 0.37 C ATOM 0 H VAL A 68 3.213 4.374 3.448 1.00 0.34 H new ATOM 0 HA VAL A 68 3.762 7.080 2.749 1.00 0.37 H new ATOM 0 HB VAL A 68 1.334 7.288 2.406 1.00 0.38 H new ATOM 0 HG11 VAL A 68 1.112 5.581 0.638 1.00 0.41 H new ATOM 0 HG12 VAL A 68 2.716 6.353 0.624 1.00 0.41 H new ATOM 0 HG13 VAL A 68 2.519 4.720 1.305 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -0.152 5.357 2.732 1.00 0.37 H new ATOM 0 HG22 VAL A 68 1.179 4.473 3.516 1.00 0.37 H new ATOM 0 HG23 VAL A 68 0.526 5.948 4.267 1.00 0.37 H new ATOM 1110 N GLN A 69 2.715 6.446 5.751 1.00 0.39 N ATOM 1111 CA GLN A 69 2.452 7.031 7.057 1.00 0.45 C ATOM 1112 C GLN A 69 3.702 7.732 7.579 1.00 0.45 C ATOM 1113 O GLN A 69 3.645 8.885 8.007 1.00 0.50 O ATOM 1114 CB GLN A 69 1.983 5.957 8.045 1.00 0.52 C ATOM 1115 CG GLN A 69 1.836 6.454 9.475 1.00 0.82 C ATOM 1116 CD GLN A 69 0.766 5.714 10.258 1.00 1.26 C ATOM 1117 OE1 GLN A 69 0.155 6.274 11.166 1.00 1.83 O ATOM 1118 NE2 GLN A 69 0.528 4.453 9.915 1.00 2.02 N ATOM 0 H GLN A 69 2.831 5.433 5.756 1.00 0.39 H new ATOM 0 HA GLN A 69 1.656 7.768 6.955 1.00 0.45 H new ATOM 0 HB2 GLN A 69 1.025 5.562 7.708 1.00 0.52 H new ATOM 0 HB3 GLN A 69 2.692 5.129 8.030 1.00 0.52 H new ATOM 0 HG2 GLN A 69 2.791 6.349 9.989 1.00 0.82 H new ATOM 0 HG3 GLN A 69 1.597 7.517 9.461 1.00 0.82 H new ATOM 0 HE21 GLN A 69 1.056 4.023 9.156 1.00 2.02 H new ATOM 0 HE22 GLN A 69 -0.183 3.915 10.411 1.00 2.02 H new ATOM 1127 N GLN A 70 4.835 7.045 7.500 1.00 0.44 N ATOM 1128 CA GLN A 70 6.097 7.596 7.971 1.00 0.49 C ATOM 1129 C GLN A 70 6.592 8.695 7.031 1.00 0.46 C ATOM 1130 O GLN A 70 7.358 9.570 7.436 1.00 0.49 O ATOM 1131 CB GLN A 70 7.149 6.490 8.093 1.00 0.58 C ATOM 1132 CG GLN A 70 6.749 5.359 9.031 1.00 0.78 C ATOM 1133 CD GLN A 70 6.797 5.755 10.499 1.00 1.39 C ATOM 1134 OE1 GLN A 70 6.594 6.914 10.859 1.00 2.10 O ATOM 1135 NE2 GLN A 70 7.070 4.788 11.358 1.00 2.02 N ATOM 0 H GLN A 70 4.904 6.104 7.113 1.00 0.44 H new ATOM 0 HA GLN A 70 5.932 8.034 8.956 1.00 0.49 H new ATOM 0 HB2 GLN A 70 7.344 6.077 7.103 1.00 0.58 H new ATOM 0 HB3 GLN A 70 8.083 6.928 8.445 1.00 0.58 H new ATOM 0 HG2 GLN A 70 5.740 5.029 8.783 1.00 0.78 H new ATOM 0 HG3 GLN A 70 7.412 4.509 8.868 1.00 0.78 H new ATOM 0 HE21 GLN A 70 7.233 3.839 11.022 1.00 2.02 H new ATOM 0 HE22 GLN A 70 7.118 4.991 12.356 1.00 2.02 H new ATOM 1144 N ALA A 71 6.134 8.655 5.779 1.00 0.46 N ATOM 1145 CA ALA A 71 6.526 9.649 4.786 1.00 0.47 C ATOM 1146 C ALA A 71 6.078 11.045 5.200 1.00 0.46 C ATOM 1147 O ALA A 71 6.721 12.037 4.858 1.00 0.48 O ATOM 1148 CB ALA A 71 5.958 9.294 3.421 1.00 0.51 C ATOM 0 H ALA A 71 5.491 7.944 5.431 1.00 0.46 H new ATOM 0 HA ALA A 71 7.614 9.647 4.722 1.00 0.47 H new ATOM 0 HB1 ALA A 71 6.261 10.047 2.694 1.00 0.51 H new ATOM 0 HB2 ALA A 71 6.335 8.319 3.112 1.00 0.51 H new ATOM 0 HB3 ALA A 71 4.870 9.261 3.477 1.00 0.51 H new ATOM 1154 N LYS A 72 4.983 11.117 5.953 1.00 0.49 N ATOM 1155 CA LYS A 72 4.470 12.399 6.417 1.00 0.55 C ATOM 1156 C LYS A 72 5.427 13.019 7.426 1.00 0.54 C ATOM 1157 O LYS A 72 5.597 14.238 7.463 1.00 0.59 O ATOM 1158 CB LYS A 72 3.084 12.242 7.046 1.00 0.66 C ATOM 1159 CG LYS A 72 1.966 12.115 6.027 1.00 0.84 C ATOM 1160 CD LYS A 72 0.596 12.194 6.681 1.00 1.07 C ATOM 1161 CE LYS A 72 0.232 13.621 7.065 1.00 1.60 C ATOM 1162 NZ LYS A 72 -1.194 13.739 7.465 1.00 2.09 N ATOM 0 H LYS A 72 4.439 10.308 6.252 1.00 0.49 H new ATOM 0 HA LYS A 72 4.384 13.058 5.553 1.00 0.55 H new ATOM 0 HB2 LYS A 72 3.083 11.360 7.687 1.00 0.66 H new ATOM 0 HB3 LYS A 72 2.885 13.101 7.686 1.00 0.66 H new ATOM 0 HG2 LYS A 72 2.060 12.906 5.283 1.00 0.84 H new ATOM 0 HG3 LYS A 72 2.062 11.167 5.498 1.00 0.84 H new ATOM 0 HD2 LYS A 72 -0.156 11.799 5.998 1.00 1.07 H new ATOM 0 HD3 LYS A 72 0.581 11.564 7.570 1.00 1.07 H new ATOM 0 HE2 LYS A 72 0.868 13.950 7.887 1.00 1.60 H new ATOM 0 HE3 LYS A 72 0.430 14.285 6.224 1.00 1.60 H new ATOM 0 HZ1 LYS A 72 -1.657 14.470 6.888 1.00 2.09 H new ATOM 0 HZ2 LYS A 72 -1.673 12.827 7.317 1.00 2.09 H new ATOM 0 HZ3 LYS A 72 -1.252 14.002 8.470 1.00 2.09 H new ATOM 1176 N GLY A 73 6.061 12.172 8.229 1.00 0.54 N ATOM 1177 CA GLY A 73 7.004 12.650 9.221 1.00 0.59 C ATOM 1178 C GLY A 73 8.241 13.241 8.580 1.00 0.56 C ATOM 1179 O GLY A 73 8.860 14.154 9.123 1.00 0.66 O ATOM 0 H GLY A 73 5.938 11.160 8.210 1.00 0.54 H new ATOM 0 HA2 GLY A 73 6.524 13.402 9.847 1.00 0.59 H new ATOM 0 HA3 GLY A 73 7.291 11.827 9.876 1.00 0.59 H new ATOM 1183 N GLN A 74 8.593 12.719 7.413 1.00 0.52 N ATOM 1184 CA GLN A 74 9.757 13.193 6.679 1.00 0.55 C ATOM 1185 C GLN A 74 9.344 14.230 5.635 1.00 0.51 C ATOM 1186 O GLN A 74 10.187 14.784 4.932 1.00 0.56 O ATOM 1187 CB GLN A 74 10.478 12.016 6.014 1.00 0.62 C ATOM 1188 CG GLN A 74 11.132 11.074 7.010 1.00 0.80 C ATOM 1189 CD GLN A 74 11.633 9.792 6.371 1.00 0.94 C ATOM 1190 OE1 GLN A 74 11.989 9.761 5.193 1.00 1.62 O ATOM 1191 NE2 GLN A 74 11.663 8.720 7.146 1.00 1.42 N ATOM 0 H GLN A 74 8.086 11.963 6.953 1.00 0.52 H new ATOM 0 HA GLN A 74 10.443 13.668 7.380 1.00 0.55 H new ATOM 0 HB2 GLN A 74 9.765 11.456 5.409 1.00 0.62 H new ATOM 0 HB3 GLN A 74 11.239 12.401 5.335 1.00 0.62 H new ATOM 0 HG2 GLN A 74 11.967 11.584 7.491 1.00 0.80 H new ATOM 0 HG3 GLN A 74 10.415 10.827 7.793 1.00 0.80 H new ATOM 0 HE21 GLN A 74 11.360 8.785 8.118 1.00 1.42 H new ATOM 0 HE22 GLN A 74 11.989 7.829 6.772 1.00 1.42 H new ATOM 1200 N LYS A 75 8.034 14.477 5.551 1.00 0.47 N ATOM 1201 CA LYS A 75 7.461 15.450 4.616 1.00 0.50 C ATOM 1202 C LYS A 75 7.731 15.076 3.159 1.00 0.47 C ATOM 1203 O LYS A 75 7.694 15.931 2.272 1.00 0.54 O ATOM 1204 CB LYS A 75 7.985 16.860 4.915 1.00 0.62 C ATOM 1205 CG LYS A 75 7.578 17.383 6.287 1.00 0.77 C ATOM 1206 CD LYS A 75 6.076 17.625 6.379 1.00 1.33 C ATOM 1207 CE LYS A 75 5.667 18.907 5.675 1.00 1.99 C ATOM 1208 NZ LYS A 75 6.157 20.112 6.391 1.00 2.70 N ATOM 0 H LYS A 75 7.339 14.007 6.131 1.00 0.47 H new ATOM 0 HA LYS A 75 6.381 15.437 4.759 1.00 0.50 H new ATOM 0 HB2 LYS A 75 9.073 16.857 4.844 1.00 0.62 H new ATOM 0 HB3 LYS A 75 7.618 17.545 4.151 1.00 0.62 H new ATOM 0 HG2 LYS A 75 7.878 16.667 7.052 1.00 0.77 H new ATOM 0 HG3 LYS A 75 8.109 18.312 6.494 1.00 0.77 H new ATOM 0 HD2 LYS A 75 5.544 16.782 5.937 1.00 1.33 H new ATOM 0 HD3 LYS A 75 5.779 17.675 7.427 1.00 1.33 H new ATOM 0 HE2 LYS A 75 6.060 18.904 4.658 1.00 1.99 H new ATOM 0 HE3 LYS A 75 4.581 18.948 5.597 1.00 1.99 H new ATOM 0 HZ1 LYS A 75 5.633 20.948 6.062 1.00 2.70 H new ATOM 0 HZ2 LYS A 75 6.010 19.992 7.414 1.00 2.70 H new ATOM 0 HZ3 LYS A 75 7.171 20.241 6.199 1.00 2.70 H new ATOM 1222 N ILE A 76 7.965 13.798 2.906 1.00 0.42 N ATOM 1223 CA ILE A 76 8.229 13.336 1.551 1.00 0.42 C ATOM 1224 C ILE A 76 6.915 13.040 0.840 1.00 0.38 C ATOM 1225 O ILE A 76 6.507 11.886 0.719 1.00 0.40 O ATOM 1226 CB ILE A 76 9.118 12.070 1.528 1.00 0.46 C ATOM 1227 CG1 ILE A 76 10.343 12.243 2.434 1.00 0.55 C ATOM 1228 CG2 ILE A 76 9.556 11.755 0.104 1.00 0.49 C ATOM 1229 CD1 ILE A 76 11.293 13.335 1.985 1.00 0.63 C ATOM 0 H ILE A 76 7.978 13.066 3.616 1.00 0.42 H new ATOM 0 HA ILE A 76 8.767 14.132 1.037 1.00 0.42 H new ATOM 0 HB ILE A 76 8.528 11.236 1.908 1.00 0.46 H new ATOM 0 HG12 ILE A 76 10.005 12.464 3.446 1.00 0.55 H new ATOM 0 HG13 ILE A 76 10.886 11.299 2.478 1.00 0.55 H new ATOM 0 HG21 ILE A 76 10.181 10.862 0.105 1.00 0.49 H new ATOM 0 HG22 ILE A 76 8.677 11.583 -0.517 1.00 0.49 H new ATOM 0 HG23 ILE A 76 10.124 12.595 -0.296 1.00 0.49 H new ATOM 0 HD11 ILE A 76 12.133 13.394 2.677 1.00 0.63 H new ATOM 0 HD12 ILE A 76 11.663 13.107 0.985 1.00 0.63 H new ATOM 0 HD13 ILE A 76 10.768 14.290 1.969 1.00 0.63 H new ATOM 1241 N ILE A 77 6.257 14.098 0.372 1.00 0.40 N ATOM 1242 CA ILE A 77 4.977 13.972 -0.325 1.00 0.42 C ATOM 1243 C ILE A 77 5.122 13.206 -1.639 1.00 0.39 C ATOM 1244 O ILE A 77 4.130 12.806 -2.249 1.00 0.40 O ATOM 1245 CB ILE A 77 4.350 15.352 -0.610 1.00 0.52 C ATOM 1246 CG1 ILE A 77 5.403 16.326 -1.157 1.00 0.59 C ATOM 1247 CG2 ILE A 77 3.703 15.906 0.653 1.00 0.57 C ATOM 1248 CD1 ILE A 77 4.830 17.659 -1.593 1.00 0.86 C ATOM 0 H ILE A 77 6.590 15.058 0.463 1.00 0.40 H new ATOM 0 HA ILE A 77 4.319 13.412 0.339 1.00 0.42 H new ATOM 0 HB ILE A 77 3.578 15.232 -1.370 1.00 0.52 H new ATOM 0 HG12 ILE A 77 6.159 16.498 -0.391 1.00 0.59 H new ATOM 0 HG13 ILE A 77 5.908 15.863 -2.005 1.00 0.59 H new ATOM 0 HG21 ILE A 77 3.264 16.880 0.439 1.00 0.57 H new ATOM 0 HG22 ILE A 77 2.924 15.223 0.992 1.00 0.57 H new ATOM 0 HG23 ILE A 77 4.458 16.011 1.432 1.00 0.57 H new ATOM 0 HD11 ILE A 77 5.632 18.295 -1.968 1.00 0.86 H new ATOM 0 HD12 ILE A 77 4.095 17.499 -2.382 1.00 0.86 H new ATOM 0 HD13 ILE A 77 4.350 18.144 -0.743 1.00 0.86 H new ATOM 1260 N GLN A 78 6.365 12.996 -2.059 1.00 0.41 N ATOM 1261 CA GLN A 78 6.647 12.269 -3.287 1.00 0.43 C ATOM 1262 C GLN A 78 6.173 10.825 -3.173 1.00 0.36 C ATOM 1263 O GLN A 78 5.841 10.186 -4.172 1.00 0.36 O ATOM 1264 CB GLN A 78 8.146 12.301 -3.593 1.00 0.52 C ATOM 1265 CG GLN A 78 8.460 12.438 -5.073 1.00 0.81 C ATOM 1266 CD GLN A 78 8.084 13.801 -5.616 1.00 1.36 C ATOM 1267 OE1 GLN A 78 6.964 14.015 -6.079 1.00 2.22 O ATOM 1268 NE2 GLN A 78 9.019 14.736 -5.559 1.00 1.73 N ATOM 0 H GLN A 78 7.195 13.321 -1.563 1.00 0.41 H new ATOM 0 HA GLN A 78 6.109 12.753 -4.102 1.00 0.43 H new ATOM 0 HB2 GLN A 78 8.601 13.133 -3.055 1.00 0.52 H new ATOM 0 HB3 GLN A 78 8.605 11.388 -3.215 1.00 0.52 H new ATOM 0 HG2 GLN A 78 9.524 12.266 -5.234 1.00 0.81 H new ATOM 0 HG3 GLN A 78 7.925 11.668 -5.629 1.00 0.81 H new ATOM 0 HE21 GLN A 78 9.935 14.518 -5.167 1.00 1.73 H new ATOM 0 HE22 GLN A 78 8.823 15.675 -5.907 1.00 1.73 H new ATOM 1277 N PHE A 79 6.126 10.318 -1.946 1.00 0.36 N ATOM 1278 CA PHE A 79 5.693 8.952 -1.701 1.00 0.36 C ATOM 1279 C PHE A 79 4.188 8.821 -1.877 1.00 0.33 C ATOM 1280 O PHE A 79 3.714 7.956 -2.615 1.00 0.36 O ATOM 1281 CB PHE A 79 6.091 8.507 -0.296 1.00 0.42 C ATOM 1282 CG PHE A 79 7.357 7.702 -0.261 1.00 0.40 C ATOM 1283 CD1 PHE A 79 7.439 6.491 -0.930 1.00 1.29 C ATOM 1284 CD2 PHE A 79 8.465 8.152 0.436 1.00 1.24 C ATOM 1285 CE1 PHE A 79 8.600 5.744 -0.902 1.00 1.34 C ATOM 1286 CE2 PHE A 79 9.629 7.409 0.469 1.00 1.30 C ATOM 1287 CZ PHE A 79 9.695 6.205 -0.203 1.00 0.64 C ATOM 0 H PHE A 79 6.383 10.836 -1.106 1.00 0.36 H new ATOM 0 HA PHE A 79 6.186 8.309 -2.429 1.00 0.36 H new ATOM 0 HB2 PHE A 79 6.212 9.387 0.335 1.00 0.42 H new ATOM 0 HB3 PHE A 79 5.282 7.916 0.133 1.00 0.42 H new ATOM 0 HD1 PHE A 79 6.584 6.127 -1.480 1.00 1.29 H new ATOM 0 HD2 PHE A 79 8.419 9.095 0.960 1.00 1.24 H new ATOM 0 HE1 PHE A 79 8.650 4.801 -1.426 1.00 1.34 H new ATOM 0 HE2 PHE A 79 10.486 7.769 1.019 1.00 1.30 H new ATOM 0 HZ PHE A 79 10.605 5.624 -0.181 1.00 0.64 H new ATOM 1297 N GLN A 80 3.443 9.698 -1.212 1.00 0.33 N ATOM 1298 CA GLN A 80 1.988 9.681 -1.279 1.00 0.38 C ATOM 1299 C GLN A 80 1.496 9.975 -2.688 1.00 0.33 C ATOM 1300 O GLN A 80 0.425 9.524 -3.084 1.00 0.39 O ATOM 1301 CB GLN A 80 1.386 10.684 -0.289 1.00 0.48 C ATOM 1302 CG GLN A 80 1.643 10.322 1.166 1.00 0.60 C ATOM 1303 CD GLN A 80 2.889 10.981 1.721 1.00 0.75 C ATOM 1304 OE1 GLN A 80 3.799 11.339 0.976 1.00 1.30 O ATOM 1305 NE2 GLN A 80 2.948 11.126 3.033 1.00 1.11 N ATOM 0 H GLN A 80 3.827 10.433 -0.618 1.00 0.33 H new ATOM 0 HA GLN A 80 1.658 8.679 -1.006 1.00 0.38 H new ATOM 0 HB2 GLN A 80 1.799 11.673 -0.488 1.00 0.48 H new ATOM 0 HB3 GLN A 80 0.311 10.748 -0.456 1.00 0.48 H new ATOM 0 HG2 GLN A 80 0.783 10.617 1.767 1.00 0.60 H new ATOM 0 HG3 GLN A 80 1.739 9.240 1.256 1.00 0.60 H new ATOM 0 HE21 GLN A 80 2.171 10.815 3.616 1.00 1.11 H new ATOM 0 HE22 GLN A 80 3.771 11.549 3.463 1.00 1.11 H new ATOM 1314 N ASP A 81 2.274 10.736 -3.444 1.00 0.33 N ATOM 1315 CA ASP A 81 1.904 11.054 -4.816 1.00 0.35 C ATOM 1316 C ASP A 81 2.092 9.829 -5.703 1.00 0.32 C ATOM 1317 O ASP A 81 1.184 9.422 -6.431 1.00 0.37 O ATOM 1318 CB ASP A 81 2.747 12.214 -5.353 1.00 0.41 C ATOM 1319 CG ASP A 81 2.538 12.431 -6.838 1.00 0.52 C ATOM 1320 OD1 ASP A 81 1.490 12.996 -7.214 1.00 1.16 O ATOM 1321 OD2 ASP A 81 3.419 12.037 -7.633 1.00 1.32 O ATOM 0 H ASP A 81 3.157 11.142 -3.135 1.00 0.33 H new ATOM 0 HA ASP A 81 0.856 11.353 -4.827 1.00 0.35 H new ATOM 0 HB2 ASP A 81 2.492 13.127 -4.814 1.00 0.41 H new ATOM 0 HB3 ASP A 81 3.801 12.015 -5.161 1.00 0.41 H new ATOM 1326 N SER A 82 3.273 9.227 -5.603 1.00 0.31 N ATOM 1327 CA SER A 82 3.612 8.054 -6.394 1.00 0.32 C ATOM 1328 C SER A 82 2.726 6.861 -6.041 1.00 0.29 C ATOM 1329 O SER A 82 2.190 6.194 -6.924 1.00 0.30 O ATOM 1330 CB SER A 82 5.084 7.696 -6.192 1.00 0.36 C ATOM 1331 OG SER A 82 5.923 8.803 -6.484 1.00 0.94 O ATOM 0 H SER A 82 4.015 9.537 -4.976 1.00 0.31 H new ATOM 0 HA SER A 82 3.439 8.296 -7.443 1.00 0.32 H new ATOM 0 HB2 SER A 82 5.246 7.375 -5.163 1.00 0.36 H new ATOM 0 HB3 SER A 82 5.349 6.856 -6.834 1.00 0.36 H new ATOM 0 HG SER A 82 5.883 9.447 -5.746 1.00 0.94 H new ATOM 1337 N PHE A 83 2.563 6.601 -4.749 1.00 0.27 N ATOM 1338 CA PHE A 83 1.748 5.480 -4.298 1.00 0.26 C ATOM 1339 C PHE A 83 0.263 5.795 -4.411 1.00 0.26 C ATOM 1340 O PHE A 83 -0.547 4.906 -4.636 1.00 0.30 O ATOM 1341 CB PHE A 83 2.086 5.112 -2.852 1.00 0.27 C ATOM 1342 CG PHE A 83 3.197 4.110 -2.730 1.00 0.28 C ATOM 1343 CD1 PHE A 83 2.935 2.752 -2.820 1.00 1.21 C ATOM 1344 CD2 PHE A 83 4.503 4.524 -2.525 1.00 1.21 C ATOM 1345 CE1 PHE A 83 3.955 1.827 -2.708 1.00 1.22 C ATOM 1346 CE2 PHE A 83 5.527 3.603 -2.412 1.00 1.23 C ATOM 1347 CZ PHE A 83 5.253 2.253 -2.504 1.00 0.37 C ATOM 0 H PHE A 83 2.983 7.149 -3.998 1.00 0.27 H new ATOM 0 HA PHE A 83 1.973 4.632 -4.945 1.00 0.26 H new ATOM 0 HB2 PHE A 83 2.363 6.017 -2.311 1.00 0.27 H new ATOM 0 HB3 PHE A 83 1.194 4.713 -2.370 1.00 0.27 H new ATOM 0 HD1 PHE A 83 1.922 2.413 -2.979 1.00 1.21 H new ATOM 0 HD2 PHE A 83 4.723 5.579 -2.453 1.00 1.21 H new ATOM 0 HE1 PHE A 83 3.738 0.772 -2.780 1.00 1.22 H new ATOM 0 HE2 PHE A 83 6.541 3.939 -2.252 1.00 1.23 H new ATOM 0 HZ PHE A 83 6.052 1.532 -2.417 1.00 0.37 H new ATOM 1357 N GLY A 84 -0.082 7.065 -4.270 1.00 0.27 N ATOM 1358 CA GLY A 84 -1.472 7.476 -4.341 1.00 0.30 C ATOM 1359 C GLY A 84 -2.085 7.296 -5.714 1.00 0.30 C ATOM 1360 O GLY A 84 -3.217 6.826 -5.831 1.00 0.34 O ATOM 0 H GLY A 84 0.579 7.825 -4.107 1.00 0.27 H new ATOM 0 HA2 GLY A 84 -2.050 6.903 -3.616 1.00 0.30 H new ATOM 0 HA3 GLY A 84 -1.548 8.524 -4.052 1.00 0.30 H new ATOM 1364 N LYS A 85 -1.335 7.646 -6.755 1.00 0.31 N ATOM 1365 CA LYS A 85 -1.830 7.533 -8.125 1.00 0.36 C ATOM 1366 C LYS A 85 -2.182 6.085 -8.478 1.00 0.34 C ATOM 1367 O LYS A 85 -3.038 5.837 -9.324 1.00 0.43 O ATOM 1368 CB LYS A 85 -0.804 8.096 -9.121 1.00 0.42 C ATOM 1369 CG LYS A 85 0.367 7.167 -9.408 1.00 0.48 C ATOM 1370 CD LYS A 85 1.292 7.737 -10.473 1.00 0.62 C ATOM 1371 CE LYS A 85 2.505 8.413 -9.857 1.00 0.96 C ATOM 1372 NZ LYS A 85 3.452 8.909 -10.891 1.00 1.31 N ATOM 0 H LYS A 85 -0.385 8.009 -6.678 1.00 0.31 H new ATOM 0 HA LYS A 85 -2.744 8.123 -8.194 1.00 0.36 H new ATOM 0 HB2 LYS A 85 -1.312 8.322 -10.059 1.00 0.42 H new ATOM 0 HB3 LYS A 85 -0.418 9.039 -8.733 1.00 0.42 H new ATOM 0 HG2 LYS A 85 0.930 6.998 -8.490 1.00 0.48 H new ATOM 0 HG3 LYS A 85 -0.010 6.198 -9.734 1.00 0.48 H new ATOM 0 HD2 LYS A 85 1.619 6.937 -11.138 1.00 0.62 H new ATOM 0 HD3 LYS A 85 0.745 8.456 -11.084 1.00 0.62 H new ATOM 0 HE2 LYS A 85 2.179 9.246 -9.235 1.00 0.96 H new ATOM 0 HE3 LYS A 85 3.019 7.709 -9.203 1.00 0.96 H new ATOM 0 HZ1 LYS A 85 4.265 9.363 -10.428 1.00 1.31 H new ATOM 0 HZ2 LYS A 85 3.784 8.111 -11.469 1.00 1.31 H new ATOM 0 HZ3 LYS A 85 2.970 9.600 -11.500 1.00 1.31 H new ATOM 1386 N VAL A 86 -1.528 5.131 -7.824 1.00 0.28 N ATOM 1387 CA VAL A 86 -1.792 3.723 -8.090 1.00 0.29 C ATOM 1388 C VAL A 86 -2.651 3.094 -6.990 1.00 0.27 C ATOM 1389 O VAL A 86 -3.214 2.013 -7.172 1.00 0.28 O ATOM 1390 CB VAL A 86 -0.485 2.912 -8.248 1.00 0.31 C ATOM 1391 CG1 VAL A 86 0.243 3.302 -9.526 1.00 0.38 C ATOM 1392 CG2 VAL A 86 0.427 3.097 -7.045 1.00 0.31 C ATOM 0 H VAL A 86 -0.818 5.305 -7.113 1.00 0.28 H new ATOM 0 HA VAL A 86 -2.340 3.686 -9.031 1.00 0.29 H new ATOM 0 HB VAL A 86 -0.757 1.858 -8.310 1.00 0.31 H new ATOM 0 HG11 VAL A 86 1.159 2.718 -9.615 1.00 0.38 H new ATOM 0 HG12 VAL A 86 -0.398 3.104 -10.385 1.00 0.38 H new ATOM 0 HG13 VAL A 86 0.490 4.363 -9.494 1.00 0.38 H new ATOM 0 HG21 VAL A 86 1.337 2.514 -7.186 1.00 0.31 H new ATOM 0 HG22 VAL A 86 0.683 4.151 -6.941 1.00 0.31 H new ATOM 0 HG23 VAL A 86 -0.085 2.758 -6.145 1.00 0.31 H new ATOM 1402 N ALA A 87 -2.765 3.785 -5.861 1.00 0.29 N ATOM 1403 CA ALA A 87 -3.545 3.295 -4.729 1.00 0.30 C ATOM 1404 C ALA A 87 -5.019 3.174 -5.084 1.00 0.28 C ATOM 1405 O ALA A 87 -5.654 2.169 -4.771 1.00 0.28 O ATOM 1406 CB ALA A 87 -3.368 4.203 -3.519 1.00 0.38 C ATOM 0 H ALA A 87 -2.324 4.692 -5.705 1.00 0.29 H new ATOM 0 HA ALA A 87 -3.174 2.301 -4.479 1.00 0.30 H new ATOM 0 HB1 ALA A 87 -3.958 3.819 -2.687 1.00 0.38 H new ATOM 0 HB2 ALA A 87 -2.316 4.231 -3.236 1.00 0.38 H new ATOM 0 HB3 ALA A 87 -3.703 5.210 -3.768 1.00 0.38 H new ATOM 1412 N ALA A 88 -5.551 4.195 -5.752 1.00 0.32 N ATOM 1413 CA ALA A 88 -6.955 4.206 -6.153 1.00 0.36 C ATOM 1414 C ALA A 88 -7.293 2.980 -6.995 1.00 0.34 C ATOM 1415 O ALA A 88 -8.377 2.406 -6.877 1.00 0.44 O ATOM 1416 CB ALA A 88 -7.273 5.485 -6.915 1.00 0.45 C ATOM 0 H ALA A 88 -5.029 5.027 -6.027 1.00 0.32 H new ATOM 0 HA ALA A 88 -7.569 4.173 -5.253 1.00 0.36 H new ATOM 0 HB1 ALA A 88 -8.323 5.482 -7.209 1.00 0.45 H new ATOM 0 HB2 ALA A 88 -7.077 6.347 -6.277 1.00 0.45 H new ATOM 0 HB3 ALA A 88 -6.647 5.543 -7.805 1.00 0.45 H new ATOM 1422 N GLU A 89 -6.343 2.577 -7.827 1.00 0.30 N ATOM 1423 CA GLU A 89 -6.520 1.424 -8.692 1.00 0.32 C ATOM 1424 C GLU A 89 -6.467 0.131 -7.882 1.00 0.29 C ATOM 1425 O GLU A 89 -7.426 -0.640 -7.864 1.00 0.32 O ATOM 1426 CB GLU A 89 -5.432 1.405 -9.771 1.00 0.39 C ATOM 1427 CG GLU A 89 -5.535 0.227 -10.727 1.00 0.55 C ATOM 1428 CD GLU A 89 -6.600 0.429 -11.783 1.00 0.88 C ATOM 1429 OE1 GLU A 89 -7.788 0.174 -11.492 1.00 1.56 O ATOM 1430 OE2 GLU A 89 -6.250 0.848 -12.908 1.00 1.56 O ATOM 0 H GLU A 89 -5.437 3.036 -7.920 1.00 0.30 H new ATOM 0 HA GLU A 89 -7.498 1.498 -9.168 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -5.485 2.331 -10.343 1.00 0.39 H new ATOM 0 HB3 GLU A 89 -4.455 1.384 -9.288 1.00 0.39 H new ATOM 0 HG2 GLU A 89 -4.571 0.072 -11.212 1.00 0.55 H new ATOM 0 HG3 GLU A 89 -5.756 -0.678 -10.161 1.00 0.55 H new ATOM 1437 N VAL A 90 -5.347 -0.078 -7.196 1.00 0.27 N ATOM 1438 CA VAL A 90 -5.135 -1.282 -6.395 1.00 0.28 C ATOM 1439 C VAL A 90 -6.251 -1.498 -5.376 1.00 0.27 C ATOM 1440 O VAL A 90 -6.826 -2.584 -5.309 1.00 0.30 O ATOM 1441 CB VAL A 90 -3.777 -1.235 -5.660 1.00 0.29 C ATOM 1442 CG1 VAL A 90 -3.601 -2.444 -4.751 1.00 0.34 C ATOM 1443 CG2 VAL A 90 -2.637 -1.154 -6.663 1.00 0.32 C ATOM 0 H VAL A 90 -4.565 0.577 -7.179 1.00 0.27 H new ATOM 0 HA VAL A 90 -5.138 -2.119 -7.094 1.00 0.28 H new ATOM 0 HB VAL A 90 -3.761 -0.341 -5.036 1.00 0.29 H new ATOM 0 HG11 VAL A 90 -2.636 -2.383 -4.247 1.00 0.34 H new ATOM 0 HG12 VAL A 90 -4.398 -2.459 -4.008 1.00 0.34 H new ATOM 0 HG13 VAL A 90 -3.642 -3.356 -5.346 1.00 0.34 H new ATOM 0 HG21 VAL A 90 -1.686 -1.122 -6.131 1.00 0.32 H new ATOM 0 HG22 VAL A 90 -2.660 -2.030 -7.312 1.00 0.32 H new ATOM 0 HG23 VAL A 90 -2.746 -0.253 -7.266 1.00 0.32 H new ATOM 1453 N LEU A 91 -6.566 -0.464 -4.606 1.00 0.26 N ATOM 1454 CA LEU A 91 -7.603 -0.556 -3.583 1.00 0.28 C ATOM 1455 C LEU A 91 -8.945 -0.956 -4.187 1.00 0.27 C ATOM 1456 O LEU A 91 -9.660 -1.787 -3.627 1.00 0.30 O ATOM 1457 CB LEU A 91 -7.746 0.769 -2.829 1.00 0.31 C ATOM 1458 CG LEU A 91 -6.935 0.891 -1.531 1.00 0.53 C ATOM 1459 CD1 LEU A 91 -7.271 -0.246 -0.577 1.00 1.45 C ATOM 1460 CD2 LEU A 91 -5.440 0.919 -1.825 1.00 0.89 C ATOM 0 H LEU A 91 -6.118 0.450 -4.670 1.00 0.26 H new ATOM 0 HA LEU A 91 -7.297 -1.331 -2.880 1.00 0.28 H new ATOM 0 HB2 LEU A 91 -7.451 1.579 -3.497 1.00 0.31 H new ATOM 0 HB3 LEU A 91 -8.799 0.919 -2.592 1.00 0.31 H new ATOM 0 HG LEU A 91 -7.205 1.832 -1.052 1.00 0.53 H new ATOM 0 HD11 LEU A 91 -6.685 -0.140 0.336 1.00 1.45 H new ATOM 0 HD12 LEU A 91 -8.333 -0.214 -0.333 1.00 1.45 H new ATOM 0 HD13 LEU A 91 -7.036 -1.199 -1.050 1.00 1.45 H new ATOM 0 HD21 LEU A 91 -4.887 1.006 -0.890 1.00 0.89 H new ATOM 0 HD22 LEU A 91 -5.152 -0.001 -2.333 1.00 0.89 H new ATOM 0 HD23 LEU A 91 -5.211 1.773 -2.463 1.00 0.89 H new ATOM 1472 N GLY A 92 -9.279 -0.375 -5.330 1.00 0.28 N ATOM 1473 CA GLY A 92 -10.532 -0.694 -5.979 1.00 0.31 C ATOM 1474 C GLY A 92 -10.567 -2.116 -6.501 1.00 0.33 C ATOM 1475 O GLY A 92 -11.610 -2.771 -6.470 1.00 0.41 O ATOM 0 H GLY A 92 -8.704 0.311 -5.819 1.00 0.28 H new ATOM 0 HA2 GLY A 92 -11.350 -0.549 -5.274 1.00 0.31 H new ATOM 0 HA3 GLY A 92 -10.696 -0.002 -6.805 1.00 0.31 H new ATOM 1479 N ARG A 93 -9.424 -2.602 -6.967 1.00 0.31 N ATOM 1480 CA ARG A 93 -9.334 -3.953 -7.508 1.00 0.37 C ATOM 1481 C ARG A 93 -9.335 -5.003 -6.399 1.00 0.37 C ATOM 1482 O ARG A 93 -10.105 -5.964 -6.447 1.00 0.42 O ATOM 1483 CB ARG A 93 -8.073 -4.111 -8.371 1.00 0.43 C ATOM 1484 CG ARG A 93 -7.989 -3.140 -9.546 1.00 0.59 C ATOM 1485 CD ARG A 93 -8.979 -3.477 -10.655 1.00 0.95 C ATOM 1486 NE ARG A 93 -10.362 -3.221 -10.257 1.00 1.84 N ATOM 1487 CZ ARG A 93 -10.928 -2.013 -10.242 1.00 2.40 C ATOM 1488 NH1 ARG A 93 -10.254 -0.941 -10.653 1.00 2.41 N ATOM 1489 NH2 ARG A 93 -12.177 -1.884 -9.816 1.00 3.46 N ATOM 0 H ARG A 93 -8.547 -2.082 -6.982 1.00 0.31 H new ATOM 0 HA ARG A 93 -10.215 -4.111 -8.130 1.00 0.37 H new ATOM 0 HB2 ARG A 93 -7.195 -3.975 -7.739 1.00 0.43 H new ATOM 0 HB3 ARG A 93 -8.035 -5.131 -8.754 1.00 0.43 H new ATOM 0 HG2 ARG A 93 -8.178 -2.127 -9.190 1.00 0.59 H new ATOM 0 HG3 ARG A 93 -6.977 -3.152 -9.951 1.00 0.59 H new ATOM 0 HD2 ARG A 93 -8.743 -2.888 -11.542 1.00 0.95 H new ATOM 0 HD3 ARG A 93 -8.870 -4.526 -10.930 1.00 0.95 H new ATOM 0 HE ARG A 93 -10.931 -4.018 -9.972 1.00 1.84 H new ATOM 0 HH11 ARG A 93 -9.294 -1.038 -10.984 1.00 2.41 H new ATOM 0 HH12 ARG A 93 -10.698 -0.023 -10.637 1.00 2.41 H new ATOM 0 HH21 ARG A 93 -12.697 -2.704 -9.503 1.00 3.46 H new ATOM 0 HH22 ARG A 93 -12.618 -0.965 -9.801 1.00 3.46 H new ATOM 1503 N ILE A 94 -8.497 -4.807 -5.384 1.00 0.36 N ATOM 1504 CA ILE A 94 -8.400 -5.770 -4.290 1.00 0.40 C ATOM 1505 C ILE A 94 -9.691 -5.832 -3.481 1.00 0.39 C ATOM 1506 O ILE A 94 -9.989 -6.852 -2.875 1.00 0.43 O ATOM 1507 CB ILE A 94 -7.211 -5.487 -3.347 1.00 0.44 C ATOM 1508 CG1 ILE A 94 -7.390 -4.153 -2.620 1.00 0.40 C ATOM 1509 CG2 ILE A 94 -5.904 -5.508 -4.128 1.00 0.49 C ATOM 1510 CD1 ILE A 94 -6.346 -3.897 -1.555 1.00 0.50 C ATOM 0 H ILE A 94 -7.881 -3.999 -5.296 1.00 0.36 H new ATOM 0 HA ILE A 94 -8.228 -6.737 -4.763 1.00 0.40 H new ATOM 0 HB ILE A 94 -7.177 -6.273 -2.592 1.00 0.44 H new ATOM 0 HG12 ILE A 94 -7.358 -3.344 -3.350 1.00 0.40 H new ATOM 0 HG13 ILE A 94 -8.378 -4.129 -2.161 1.00 0.40 H new ATOM 0 HG21 ILE A 94 -5.073 -5.307 -3.452 1.00 0.49 H new ATOM 0 HG22 ILE A 94 -5.770 -6.488 -4.587 1.00 0.49 H new ATOM 0 HG23 ILE A 94 -5.932 -4.744 -4.905 1.00 0.49 H new ATOM 0 HD11 ILE A 94 -6.537 -2.933 -1.083 1.00 0.50 H new ATOM 0 HD12 ILE A 94 -6.392 -4.685 -0.803 1.00 0.50 H new ATOM 0 HD13 ILE A 94 -5.356 -3.888 -2.011 1.00 0.50 H new ATOM 1522 N ASN A 95 -10.463 -4.751 -3.489 1.00 0.36 N ATOM 1523 CA ASN A 95 -11.733 -4.714 -2.762 1.00 0.40 C ATOM 1524 C ASN A 95 -12.700 -5.750 -3.336 1.00 0.43 C ATOM 1525 O ASN A 95 -13.640 -6.187 -2.673 1.00 0.51 O ATOM 1526 CB ASN A 95 -12.353 -3.315 -2.839 1.00 0.43 C ATOM 1527 CG ASN A 95 -13.580 -3.159 -1.955 1.00 0.59 C ATOM 1528 OD1 ASN A 95 -13.640 -3.699 -0.851 1.00 1.00 O ATOM 1529 ND2 ASN A 95 -14.568 -2.416 -2.435 1.00 0.79 N ATOM 0 H ASN A 95 -10.236 -3.891 -3.988 1.00 0.36 H new ATOM 0 HA ASN A 95 -11.541 -4.952 -1.716 1.00 0.40 H new ATOM 0 HB2 ASN A 95 -11.606 -2.576 -2.548 1.00 0.43 H new ATOM 0 HB3 ASN A 95 -12.627 -3.101 -3.872 1.00 0.43 H new ATOM 0 HD21 ASN A 95 -15.415 -2.276 -1.884 1.00 0.79 H new ATOM 0 HD22 ASN A 95 -14.481 -1.984 -3.355 1.00 0.79 H new ATOM 1536 N GLN A 96 -12.451 -6.144 -4.578 1.00 0.42 N ATOM 1537 CA GLN A 96 -13.284 -7.126 -5.254 1.00 0.48 C ATOM 1538 C GLN A 96 -12.666 -8.520 -5.158 1.00 0.49 C ATOM 1539 O GLN A 96 -13.378 -9.523 -5.080 1.00 0.66 O ATOM 1540 CB GLN A 96 -13.471 -6.731 -6.720 1.00 0.59 C ATOM 1541 CG GLN A 96 -13.930 -5.292 -6.904 1.00 0.93 C ATOM 1542 CD GLN A 96 -14.008 -4.879 -8.362 1.00 0.85 C ATOM 1543 OE1 GLN A 96 -13.025 -4.418 -8.945 1.00 1.11 O ATOM 1544 NE2 GLN A 96 -15.178 -5.033 -8.960 1.00 1.14 N ATOM 0 H GLN A 96 -11.674 -5.795 -5.139 1.00 0.42 H new ATOM 0 HA GLN A 96 -14.257 -7.150 -4.764 1.00 0.48 H new ATOM 0 HB2 GLN A 96 -12.530 -6.875 -7.250 1.00 0.59 H new ATOM 0 HB3 GLN A 96 -14.200 -7.399 -7.178 1.00 0.59 H new ATOM 0 HG2 GLN A 96 -14.910 -5.167 -6.443 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -13.244 -4.627 -6.379 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -15.968 -5.418 -8.443 1.00 1.14 H new ATOM 0 HE22 GLN A 96 -15.290 -4.766 -9.938 1.00 1.14 H new ATOM 1553 N GLU A 97 -11.338 -8.575 -5.168 1.00 0.42 N ATOM 1554 CA GLU A 97 -10.621 -9.844 -5.086 1.00 0.48 C ATOM 1555 C GLU A 97 -10.631 -10.388 -3.661 1.00 0.44 C ATOM 1556 O GLU A 97 -10.646 -11.603 -3.449 1.00 0.54 O ATOM 1557 CB GLU A 97 -9.174 -9.681 -5.555 1.00 0.56 C ATOM 1558 CG GLU A 97 -9.039 -9.263 -7.011 1.00 0.74 C ATOM 1559 CD GLU A 97 -7.671 -9.582 -7.582 1.00 0.72 C ATOM 1560 OE1 GLU A 97 -6.685 -8.929 -7.184 1.00 1.30 O ATOM 1561 OE2 GLU A 97 -7.578 -10.500 -8.426 1.00 1.33 O ATOM 0 H GLU A 97 -10.735 -7.755 -5.232 1.00 0.42 H new ATOM 0 HA GLU A 97 -11.133 -10.551 -5.739 1.00 0.48 H new ATOM 0 HB2 GLU A 97 -8.681 -8.939 -4.927 1.00 0.56 H new ATOM 0 HB3 GLU A 97 -8.647 -10.624 -5.408 1.00 0.56 H new ATOM 0 HG2 GLU A 97 -9.803 -9.767 -7.603 1.00 0.74 H new ATOM 0 HG3 GLU A 97 -9.224 -8.192 -7.097 1.00 0.74 H new ATOM 1568 N PHE A 98 -10.616 -9.486 -2.693 1.00 0.38 N ATOM 1569 CA PHE A 98 -10.617 -9.868 -1.289 1.00 0.43 C ATOM 1570 C PHE A 98 -12.030 -10.207 -0.837 1.00 0.49 C ATOM 1571 O PHE A 98 -12.975 -9.468 -1.128 1.00 0.52 O ATOM 1572 CB PHE A 98 -10.064 -8.730 -0.417 1.00 0.46 C ATOM 1573 CG PHE A 98 -8.566 -8.569 -0.461 1.00 0.47 C ATOM 1574 CD1 PHE A 98 -7.850 -8.825 -1.618 1.00 1.34 C ATOM 1575 CD2 PHE A 98 -7.880 -8.147 0.666 1.00 1.22 C ATOM 1576 CE1 PHE A 98 -6.480 -8.667 -1.651 1.00 1.39 C ATOM 1577 CE2 PHE A 98 -6.511 -7.987 0.639 1.00 1.21 C ATOM 1578 CZ PHE A 98 -5.810 -8.246 -0.521 1.00 0.56 C ATOM 0 H PHE A 98 -10.603 -8.479 -2.855 1.00 0.38 H new ATOM 0 HA PHE A 98 -9.979 -10.745 -1.176 1.00 0.43 H new ATOM 0 HB2 PHE A 98 -10.525 -7.794 -0.731 1.00 0.46 H new ATOM 0 HB3 PHE A 98 -10.366 -8.903 0.616 1.00 0.46 H new ATOM 0 HD1 PHE A 98 -8.371 -9.152 -2.506 1.00 1.34 H new ATOM 0 HD2 PHE A 98 -8.424 -7.941 1.576 1.00 1.22 H new ATOM 0 HE1 PHE A 98 -5.933 -8.872 -2.559 1.00 1.39 H new ATOM 0 HE2 PHE A 98 -5.988 -7.659 1.525 1.00 1.21 H new ATOM 0 HZ PHE A 98 -4.738 -8.119 -0.544 1.00 0.56 H new ATOM 1588 N PRO A 99 -12.200 -11.339 -0.136 1.00 0.58 N ATOM 1589 CA PRO A 99 -13.505 -11.755 0.373 1.00 0.70 C ATOM 1590 C PRO A 99 -14.036 -10.750 1.391 1.00 0.77 C ATOM 1591 O PRO A 99 -13.283 -9.913 1.896 1.00 1.47 O ATOM 1592 CB PRO A 99 -13.226 -13.108 1.039 1.00 0.78 C ATOM 1593 CG PRO A 99 -11.762 -13.106 1.310 1.00 0.82 C ATOM 1594 CD PRO A 99 -11.140 -12.298 0.207 1.00 0.63 C ATOM 0 HA PRO A 99 -14.261 -11.819 -0.410 1.00 0.70 H new ATOM 0 HB2 PRO A 99 -13.798 -13.221 1.960 1.00 0.78 H new ATOM 0 HB3 PRO A 99 -13.506 -13.935 0.386 1.00 0.78 H new ATOM 0 HG2 PRO A 99 -11.546 -12.668 2.285 1.00 0.82 H new ATOM 0 HG3 PRO A 99 -11.366 -14.121 1.322 1.00 0.82 H new ATOM 0 HD2 PRO A 99 -10.232 -11.795 0.538 1.00 0.63 H new ATOM 0 HD3 PRO A 99 -10.867 -12.920 -0.645 1.00 0.63 H new ATOM 1602 N ARG A 100 -15.316 -10.853 1.721 1.00 0.63 N ATOM 1603 CA ARG A 100 -15.933 -9.926 2.665 1.00 0.65 C ATOM 1604 C ARG A 100 -15.249 -9.961 4.028 1.00 0.61 C ATOM 1605 O ARG A 100 -15.335 -9.007 4.794 1.00 0.76 O ATOM 1606 CB ARG A 100 -17.424 -10.220 2.815 1.00 0.83 C ATOM 1607 CG ARG A 100 -18.316 -9.219 2.087 1.00 1.54 C ATOM 1608 CD ARG A 100 -18.482 -9.570 0.611 1.00 2.05 C ATOM 1609 NE ARG A 100 -17.265 -9.343 -0.171 1.00 2.97 N ATOM 1610 CZ ARG A 100 -16.877 -10.123 -1.183 1.00 3.79 C ATOM 1611 NH1 ARG A 100 -17.631 -11.155 -1.556 1.00 3.82 N ATOM 1612 NH2 ARG A 100 -15.740 -9.863 -1.825 1.00 4.87 N ATOM 0 H ARG A 100 -15.946 -11.565 1.352 1.00 0.63 H new ATOM 0 HA ARG A 100 -15.809 -8.923 2.258 1.00 0.65 H new ATOM 0 HB2 ARG A 100 -17.629 -11.221 2.436 1.00 0.83 H new ATOM 0 HB3 ARG A 100 -17.682 -10.222 3.874 1.00 0.83 H new ATOM 0 HG2 ARG A 100 -19.295 -9.191 2.565 1.00 1.54 H new ATOM 0 HG3 ARG A 100 -17.889 -8.220 2.176 1.00 1.54 H new ATOM 0 HD2 ARG A 100 -18.774 -10.616 0.523 1.00 2.05 H new ATOM 0 HD3 ARG A 100 -19.293 -8.976 0.191 1.00 2.05 H new ATOM 0 HE ARG A 100 -16.680 -8.543 0.071 1.00 2.97 H new ATOM 0 HH11 ARG A 100 -18.506 -11.350 -1.069 1.00 3.82 H new ATOM 0 HH12 ARG A 100 -17.334 -11.750 -2.329 1.00 3.82 H new ATOM 0 HH21 ARG A 100 -15.166 -9.068 -1.544 1.00 4.87 H new ATOM 0 HH22 ARG A 100 -15.443 -10.459 -2.598 1.00 4.87 H new ATOM 1626 N ASP A 101 -14.556 -11.053 4.316 1.00 0.61 N ATOM 1627 CA ASP A 101 -13.855 -11.196 5.586 1.00 0.66 C ATOM 1628 C ASP A 101 -12.556 -10.392 5.587 1.00 0.59 C ATOM 1629 O ASP A 101 -12.078 -9.969 6.637 1.00 0.70 O ATOM 1630 CB ASP A 101 -13.541 -12.668 5.857 1.00 0.84 C ATOM 1631 CG ASP A 101 -13.683 -13.030 7.320 1.00 1.76 C ATOM 1632 OD1 ASP A 101 -12.721 -12.822 8.089 1.00 2.58 O ATOM 1633 OD2 ASP A 101 -14.760 -13.526 7.705 1.00 2.35 O ATOM 0 H ASP A 101 -14.463 -11.852 3.689 1.00 0.61 H new ATOM 0 HA ASP A 101 -14.506 -10.813 6.372 1.00 0.66 H new ATOM 0 HB2 ASP A 101 -14.208 -13.294 5.265 1.00 0.84 H new ATOM 0 HB3 ASP A 101 -12.525 -12.886 5.529 1.00 0.84 H new ATOM 1638 N LEU A 102 -11.999 -10.161 4.403 1.00 0.55 N ATOM 1639 CA LEU A 102 -10.744 -9.429 4.285 1.00 0.57 C ATOM 1640 C LEU A 102 -10.976 -7.963 3.927 1.00 0.54 C ATOM 1641 O LEU A 102 -10.159 -7.106 4.265 1.00 0.64 O ATOM 1642 CB LEU A 102 -9.832 -10.086 3.243 1.00 0.60 C ATOM 1643 CG LEU A 102 -9.212 -11.427 3.655 1.00 0.68 C ATOM 1644 CD1 LEU A 102 -8.194 -11.880 2.619 1.00 0.83 C ATOM 1645 CD2 LEU A 102 -8.560 -11.321 5.025 1.00 0.85 C ATOM 0 H LEU A 102 -12.395 -10.469 3.515 1.00 0.55 H new ATOM 0 HA LEU A 102 -10.256 -9.463 5.259 1.00 0.57 H new ATOM 0 HB2 LEU A 102 -10.406 -10.237 2.328 1.00 0.60 H new ATOM 0 HB3 LEU A 102 -9.026 -9.392 3.003 1.00 0.60 H new ATOM 0 HG LEU A 102 -10.008 -12.169 3.711 1.00 0.68 H new ATOM 0 HD11 LEU A 102 -7.763 -12.833 2.925 1.00 0.83 H new ATOM 0 HD12 LEU A 102 -8.685 -11.998 1.653 1.00 0.83 H new ATOM 0 HD13 LEU A 102 -7.404 -11.134 2.535 1.00 0.83 H new ATOM 0 HD21 LEU A 102 -8.127 -12.283 5.297 1.00 0.85 H new ATOM 0 HD22 LEU A 102 -7.775 -10.565 4.997 1.00 0.85 H new ATOM 0 HD23 LEU A 102 -9.310 -11.039 5.764 1.00 0.85 H new ATOM 1657 N LYS A 103 -12.093 -7.673 3.257 1.00 0.50 N ATOM 1658 CA LYS A 103 -12.407 -6.298 2.864 1.00 0.54 C ATOM 1659 C LYS A 103 -12.541 -5.406 4.096 1.00 0.52 C ATOM 1660 O LYS A 103 -12.335 -4.195 4.027 1.00 0.56 O ATOM 1661 CB LYS A 103 -13.682 -6.242 2.008 1.00 0.69 C ATOM 1662 CG LYS A 103 -14.978 -6.445 2.785 1.00 0.95 C ATOM 1663 CD LYS A 103 -15.674 -5.126 3.092 1.00 1.22 C ATOM 1664 CE LYS A 103 -16.334 -4.539 1.853 1.00 1.66 C ATOM 1665 NZ LYS A 103 -17.327 -3.489 2.205 1.00 2.36 N ATOM 0 H LYS A 103 -12.789 -8.364 2.977 1.00 0.50 H new ATOM 0 HA LYS A 103 -11.583 -5.925 2.256 1.00 0.54 H new ATOM 0 HB2 LYS A 103 -13.723 -5.276 1.504 1.00 0.69 H new ATOM 0 HB3 LYS A 103 -13.616 -7.004 1.231 1.00 0.69 H new ATOM 0 HG2 LYS A 103 -15.649 -7.083 2.210 1.00 0.95 H new ATOM 0 HG3 LYS A 103 -14.763 -6.967 3.718 1.00 0.95 H new ATOM 0 HD2 LYS A 103 -16.426 -5.282 3.866 1.00 1.22 H new ATOM 0 HD3 LYS A 103 -14.949 -4.416 3.490 1.00 1.22 H new ATOM 0 HE2 LYS A 103 -15.571 -4.114 1.201 1.00 1.66 H new ATOM 0 HE3 LYS A 103 -16.827 -5.333 1.292 1.00 1.66 H new ATOM 0 HZ1 LYS A 103 -17.756 -3.112 1.336 1.00 2.36 H new ATOM 0 HZ2 LYS A 103 -18.068 -3.900 2.807 1.00 2.36 H new ATOM 0 HZ3 LYS A 103 -16.851 -2.720 2.718 1.00 2.36 H new ATOM 1679 N LYS A 104 -12.876 -6.018 5.224 1.00 0.51 N ATOM 1680 CA LYS A 104 -13.025 -5.294 6.478 1.00 0.56 C ATOM 1681 C LYS A 104 -11.681 -4.725 6.921 1.00 0.55 C ATOM 1682 O LYS A 104 -11.610 -3.626 7.467 1.00 0.63 O ATOM 1683 CB LYS A 104 -13.570 -6.226 7.563 1.00 0.65 C ATOM 1684 CG LYS A 104 -14.802 -7.006 7.141 1.00 1.14 C ATOM 1685 CD LYS A 104 -15.172 -8.055 8.178 1.00 1.34 C ATOM 1686 CE LYS A 104 -16.336 -8.915 7.716 1.00 1.98 C ATOM 1687 NZ LYS A 104 -17.608 -8.149 7.646 1.00 2.57 N ATOM 0 H LYS A 104 -13.051 -7.020 5.295 1.00 0.51 H new ATOM 0 HA LYS A 104 -13.727 -4.474 6.324 1.00 0.56 H new ATOM 0 HB2 LYS A 104 -12.788 -6.929 7.851 1.00 0.65 H new ATOM 0 HB3 LYS A 104 -13.811 -5.636 8.448 1.00 0.65 H new ATOM 0 HG2 LYS A 104 -15.638 -6.321 6.999 1.00 1.14 H new ATOM 0 HG3 LYS A 104 -14.619 -7.489 6.181 1.00 1.14 H new ATOM 0 HD2 LYS A 104 -14.308 -8.689 8.379 1.00 1.34 H new ATOM 0 HD3 LYS A 104 -15.432 -7.564 9.116 1.00 1.34 H new ATOM 0 HE2 LYS A 104 -16.110 -9.332 6.734 1.00 1.98 H new ATOM 0 HE3 LYS A 104 -16.458 -9.756 8.399 1.00 1.98 H new ATOM 0 HZ1 LYS A 104 -18.386 -8.791 7.392 1.00 2.57 H new ATOM 0 HZ2 LYS A 104 -17.804 -7.716 8.571 1.00 2.57 H new ATOM 0 HZ3 LYS A 104 -17.525 -7.404 6.926 1.00 2.57 H new ATOM 1701 N LYS A 105 -10.615 -5.473 6.651 1.00 0.55 N ATOM 1702 CA LYS A 105 -9.271 -5.060 7.032 1.00 0.60 C ATOM 1703 C LYS A 105 -8.809 -3.872 6.196 1.00 0.52 C ATOM 1704 O LYS A 105 -8.352 -2.869 6.739 1.00 0.55 O ATOM 1705 CB LYS A 105 -8.284 -6.220 6.877 1.00 0.70 C ATOM 1706 CG LYS A 105 -8.660 -7.457 7.678 1.00 0.88 C ATOM 1707 CD LYS A 105 -7.709 -8.611 7.401 1.00 1.26 C ATOM 1708 CE LYS A 105 -6.579 -8.674 8.421 1.00 1.76 C ATOM 1709 NZ LYS A 105 -7.015 -9.246 9.721 1.00 2.44 N ATOM 0 H LYS A 105 -10.658 -6.371 6.168 1.00 0.55 H new ATOM 0 HA LYS A 105 -9.300 -4.759 8.079 1.00 0.60 H new ATOM 0 HB2 LYS A 105 -8.216 -6.488 5.823 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -7.294 -5.886 7.186 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -8.647 -7.221 8.742 1.00 0.88 H new ATOM 0 HG3 LYS A 105 -9.679 -7.756 7.431 1.00 0.88 H new ATOM 0 HD2 LYS A 105 -8.263 -9.549 7.415 1.00 1.26 H new ATOM 0 HD3 LYS A 105 -7.289 -8.503 6.401 1.00 1.26 H new ATOM 0 HE2 LYS A 105 -5.764 -9.276 8.018 1.00 1.76 H new ATOM 0 HE3 LYS A 105 -6.185 -7.671 8.583 1.00 1.76 H new ATOM 0 HZ1 LYS A 105 -6.210 -9.267 10.379 1.00 2.44 H new ATOM 0 HZ2 LYS A 105 -7.774 -8.659 10.121 1.00 2.44 H new ATOM 0 HZ3 LYS A 105 -7.367 -10.214 9.574 1.00 2.44 H new ATOM 1723 N LEU A 106 -8.946 -3.980 4.875 1.00 0.51 N ATOM 1724 CA LEU A 106 -8.526 -2.903 3.982 1.00 0.52 C ATOM 1725 C LEU A 106 -9.387 -1.660 4.195 1.00 0.45 C ATOM 1726 O LEU A 106 -8.931 -0.537 3.985 1.00 0.46 O ATOM 1727 CB LEU A 106 -8.557 -3.354 2.511 1.00 0.65 C ATOM 1728 CG LEU A 106 -9.919 -3.782 1.959 1.00 0.71 C ATOM 1729 CD1 LEU A 106 -10.580 -2.631 1.211 1.00 1.27 C ATOM 1730 CD2 LEU A 106 -9.761 -4.989 1.047 1.00 1.04 C ATOM 0 H LEU A 106 -9.341 -4.794 4.404 1.00 0.51 H new ATOM 0 HA LEU A 106 -7.495 -2.647 4.225 1.00 0.52 H new ATOM 0 HB2 LEU A 106 -8.180 -2.537 1.895 1.00 0.65 H new ATOM 0 HB3 LEU A 106 -7.864 -4.187 2.394 1.00 0.65 H new ATOM 0 HG LEU A 106 -10.561 -4.059 2.796 1.00 0.71 H new ATOM 0 HD11 LEU A 106 -11.547 -2.955 0.826 1.00 1.27 H new ATOM 0 HD12 LEU A 106 -10.723 -1.790 1.890 1.00 1.27 H new ATOM 0 HD13 LEU A 106 -9.944 -2.323 0.381 1.00 1.27 H new ATOM 0 HD21 LEU A 106 -10.737 -5.284 0.661 1.00 1.04 H new ATOM 0 HD22 LEU A 106 -9.104 -4.733 0.216 1.00 1.04 H new ATOM 0 HD23 LEU A 106 -9.329 -5.816 1.610 1.00 1.04 H new ATOM 1742 N SER A 107 -10.627 -1.870 4.634 1.00 0.45 N ATOM 1743 CA SER A 107 -11.543 -0.767 4.889 1.00 0.46 C ATOM 1744 C SER A 107 -11.006 0.108 6.018 1.00 0.47 C ATOM 1745 O SER A 107 -11.126 1.332 5.974 1.00 0.51 O ATOM 1746 CB SER A 107 -12.936 -1.300 5.239 1.00 0.54 C ATOM 1747 OG SER A 107 -13.921 -0.281 5.156 1.00 1.15 O ATOM 0 H SER A 107 -11.017 -2.794 4.819 1.00 0.45 H new ATOM 0 HA SER A 107 -11.625 -0.162 3.986 1.00 0.46 H new ATOM 0 HB2 SER A 107 -13.196 -2.114 4.562 1.00 0.54 H new ATOM 0 HB3 SER A 107 -12.925 -1.715 6.247 1.00 0.54 H new ATOM 0 HG SER A 107 -14.798 -0.654 5.384 1.00 1.15 H new ATOM 1753 N ARG A 108 -10.402 -0.530 7.018 1.00 0.49 N ATOM 1754 CA ARG A 108 -9.830 0.189 8.148 1.00 0.55 C ATOM 1755 C ARG A 108 -8.652 1.024 7.672 1.00 0.54 C ATOM 1756 O ARG A 108 -8.477 2.172 8.080 1.00 0.62 O ATOM 1757 CB ARG A 108 -9.372 -0.790 9.232 1.00 0.67 C ATOM 1758 CG ARG A 108 -10.442 -1.788 9.642 1.00 1.10 C ATOM 1759 CD ARG A 108 -9.905 -2.833 10.607 1.00 1.49 C ATOM 1760 NE ARG A 108 -10.346 -2.583 11.977 1.00 2.15 N ATOM 1761 CZ ARG A 108 -11.564 -2.889 12.434 1.00 2.81 C ATOM 1762 NH1 ARG A 108 -12.444 -3.493 11.644 1.00 3.15 N ATOM 1763 NH2 ARG A 108 -11.895 -2.600 13.684 1.00 3.60 N ATOM 0 H ARG A 108 -10.297 -1.543 7.066 1.00 0.49 H new ATOM 0 HA ARG A 108 -10.592 0.842 8.574 1.00 0.55 H new ATOM 0 HB2 ARG A 108 -8.498 -1.334 8.873 1.00 0.67 H new ATOM 0 HB3 ARG A 108 -9.058 -0.226 10.110 1.00 0.67 H new ATOM 0 HG2 ARG A 108 -11.273 -1.258 10.107 1.00 1.10 H new ATOM 0 HG3 ARG A 108 -10.836 -2.283 8.754 1.00 1.10 H new ATOM 0 HD2 ARG A 108 -10.237 -3.823 10.293 1.00 1.49 H new ATOM 0 HD3 ARG A 108 -8.816 -2.836 10.571 1.00 1.49 H new ATOM 0 HE ARG A 108 -9.686 -2.150 12.622 1.00 2.15 H new ATOM 0 HH11 ARG A 108 -12.192 -3.726 10.683 1.00 3.15 H new ATOM 0 HH12 ARG A 108 -13.372 -3.724 11.998 1.00 3.15 H new ATOM 0 HH21 ARG A 108 -11.220 -2.144 14.298 1.00 3.60 H new ATOM 0 HH22 ARG A 108 -12.825 -2.834 14.032 1.00 3.60 H new ATOM 1777 N VAL A 109 -7.863 0.432 6.783 1.00 0.53 N ATOM 1778 CA VAL A 109 -6.695 1.090 6.218 1.00 0.60 C ATOM 1779 C VAL A 109 -7.095 2.369 5.491 1.00 0.57 C ATOM 1780 O VAL A 109 -6.627 3.455 5.826 1.00 0.61 O ATOM 1781 CB VAL A 109 -5.951 0.161 5.235 1.00 0.72 C ATOM 1782 CG1 VAL A 109 -4.690 0.826 4.706 1.00 1.14 C ATOM 1783 CG2 VAL A 109 -5.614 -1.167 5.894 1.00 1.25 C ATOM 0 H VAL A 109 -8.016 -0.515 6.436 1.00 0.53 H new ATOM 0 HA VAL A 109 -6.029 1.336 7.046 1.00 0.60 H new ATOM 0 HB VAL A 109 -6.615 -0.032 4.392 1.00 0.72 H new ATOM 0 HG11 VAL A 109 -4.185 0.151 4.016 1.00 1.14 H new ATOM 0 HG12 VAL A 109 -4.955 1.746 4.185 1.00 1.14 H new ATOM 0 HG13 VAL A 109 -4.025 1.059 5.538 1.00 1.14 H new ATOM 0 HG21 VAL A 109 -5.090 -1.804 5.181 1.00 1.25 H new ATOM 0 HG22 VAL A 109 -4.977 -0.992 6.761 1.00 1.25 H new ATOM 0 HG23 VAL A 109 -6.533 -1.659 6.213 1.00 1.25 H new ATOM 1793 N VAL A 110 -7.992 2.232 4.515 1.00 0.54 N ATOM 1794 CA VAL A 110 -8.460 3.372 3.728 1.00 0.59 C ATOM 1795 C VAL A 110 -9.075 4.441 4.622 1.00 0.54 C ATOM 1796 O VAL A 110 -8.844 5.636 4.424 1.00 0.54 O ATOM 1797 CB VAL A 110 -9.494 2.947 2.666 1.00 0.70 C ATOM 1798 CG1 VAL A 110 -9.889 4.138 1.805 1.00 1.11 C ATOM 1799 CG2 VAL A 110 -8.944 1.822 1.805 1.00 1.06 C ATOM 0 H VAL A 110 -8.410 1.340 4.250 1.00 0.54 H new ATOM 0 HA VAL A 110 -7.586 3.782 3.222 1.00 0.59 H new ATOM 0 HB VAL A 110 -10.384 2.581 3.177 1.00 0.70 H new ATOM 0 HG11 VAL A 110 -10.619 3.822 1.060 1.00 1.11 H new ATOM 0 HG12 VAL A 110 -10.325 4.914 2.435 1.00 1.11 H new ATOM 0 HG13 VAL A 110 -9.006 4.533 1.303 1.00 1.11 H new ATOM 0 HG21 VAL A 110 -9.688 1.536 1.062 1.00 1.06 H new ATOM 0 HG22 VAL A 110 -8.038 2.159 1.301 1.00 1.06 H new ATOM 0 HG23 VAL A 110 -8.711 0.963 2.434 1.00 1.06 H new ATOM 1809 N ASN A 111 -9.848 4.007 5.613 1.00 0.55 N ATOM 1810 CA ASN A 111 -10.491 4.934 6.538 1.00 0.59 C ATOM 1811 C ASN A 111 -9.448 5.784 7.254 1.00 0.57 C ATOM 1812 O ASN A 111 -9.556 7.005 7.293 1.00 0.60 O ATOM 1813 CB ASN A 111 -11.339 4.184 7.563 1.00 0.68 C ATOM 1814 CG ASN A 111 -12.136 5.128 8.444 1.00 1.02 C ATOM 1815 OD1 ASN A 111 -12.895 5.964 7.952 1.00 1.61 O ATOM 1816 ND2 ASN A 111 -11.962 5.010 9.751 1.00 1.74 N ATOM 0 H ASN A 111 -10.044 3.023 5.796 1.00 0.55 H new ATOM 0 HA ASN A 111 -11.144 5.586 5.957 1.00 0.59 H new ATOM 0 HB2 ASN A 111 -12.021 3.510 7.045 1.00 0.68 H new ATOM 0 HB3 ASN A 111 -10.692 3.567 8.186 1.00 0.68 H new ATOM 0 HD21 ASN A 111 -12.466 5.625 10.390 1.00 1.74 H new ATOM 0 HD22 ASN A 111 -11.324 4.304 10.119 1.00 1.74 H new ATOM 1823 N ILE A 112 -8.426 5.138 7.794 1.00 0.57 N ATOM 1824 CA ILE A 112 -7.369 5.846 8.502 1.00 0.61 C ATOM 1825 C ILE A 112 -6.590 6.752 7.545 1.00 0.57 C ATOM 1826 O ILE A 112 -6.221 7.874 7.900 1.00 0.62 O ATOM 1827 CB ILE A 112 -6.407 4.857 9.203 1.00 0.70 C ATOM 1828 CG1 ILE A 112 -7.155 4.090 10.300 1.00 0.94 C ATOM 1829 CG2 ILE A 112 -5.203 5.586 9.784 1.00 0.92 C ATOM 1830 CD1 ILE A 112 -6.366 2.944 10.893 1.00 1.21 C ATOM 0 H ILE A 112 -8.306 4.126 7.756 1.00 0.57 H new ATOM 0 HA ILE A 112 -7.839 6.465 9.266 1.00 0.61 H new ATOM 0 HB ILE A 112 -6.040 4.147 8.462 1.00 0.70 H new ATOM 0 HG12 ILE A 112 -7.423 4.784 11.096 1.00 0.94 H new ATOM 0 HG13 ILE A 112 -8.087 3.702 9.888 1.00 0.94 H new ATOM 0 HG21 ILE A 112 -4.543 4.868 10.271 1.00 0.92 H new ATOM 0 HG22 ILE A 112 -4.662 6.091 8.984 1.00 0.92 H new ATOM 0 HG23 ILE A 112 -5.541 6.322 10.514 1.00 0.92 H new ATOM 0 HD11 ILE A 112 -6.962 2.451 11.661 1.00 1.21 H new ATOM 0 HD12 ILE A 112 -6.120 2.228 10.109 1.00 1.21 H new ATOM 0 HD13 ILE A 112 -5.447 3.326 11.337 1.00 1.21 H new ATOM 1842 N LEU A 113 -6.369 6.270 6.326 1.00 0.51 N ATOM 1843 CA LEU A 113 -5.638 7.034 5.319 1.00 0.52 C ATOM 1844 C LEU A 113 -6.334 8.361 5.018 1.00 0.48 C ATOM 1845 O LEU A 113 -5.681 9.403 4.904 1.00 0.53 O ATOM 1846 CB LEU A 113 -5.492 6.223 4.029 1.00 0.56 C ATOM 1847 CG LEU A 113 -4.654 4.947 4.146 1.00 0.74 C ATOM 1848 CD1 LEU A 113 -4.688 4.163 2.843 1.00 1.33 C ATOM 1849 CD2 LEU A 113 -3.221 5.283 4.532 1.00 1.27 C ATOM 0 H LEU A 113 -6.686 5.353 6.011 1.00 0.51 H new ATOM 0 HA LEU A 113 -4.648 7.247 5.722 1.00 0.52 H new ATOM 0 HB2 LEU A 113 -6.487 5.953 3.675 1.00 0.56 H new ATOM 0 HB3 LEU A 113 -5.046 6.862 3.267 1.00 0.56 H new ATOM 0 HG LEU A 113 -5.084 4.325 4.931 1.00 0.74 H new ATOM 0 HD11 LEU A 113 -4.087 3.260 2.946 1.00 1.33 H new ATOM 0 HD12 LEU A 113 -5.717 3.889 2.610 1.00 1.33 H new ATOM 0 HD13 LEU A 113 -4.285 4.777 2.038 1.00 1.33 H new ATOM 0 HD21 LEU A 113 -2.640 4.364 4.611 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -2.780 5.927 3.771 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -3.214 5.799 5.492 1.00 1.27 H new ATOM 1861 N LYS A 114 -7.657 8.328 4.887 1.00 0.47 N ATOM 1862 CA LYS A 114 -8.412 9.543 4.601 1.00 0.50 C ATOM 1863 C LYS A 114 -8.627 10.368 5.870 1.00 0.52 C ATOM 1864 O LYS A 114 -8.648 11.597 5.819 1.00 0.57 O ATOM 1865 CB LYS A 114 -9.758 9.218 3.933 1.00 0.58 C ATOM 1866 CG LYS A 114 -10.658 8.310 4.751 1.00 0.69 C ATOM 1867 CD LYS A 114 -12.058 8.216 4.164 1.00 0.89 C ATOM 1868 CE LYS A 114 -12.830 9.516 4.334 1.00 1.33 C ATOM 1869 NZ LYS A 114 -14.279 9.338 4.059 1.00 1.69 N ATOM 0 H LYS A 114 -8.223 7.484 4.973 1.00 0.47 H new ATOM 0 HA LYS A 114 -7.824 10.138 3.903 1.00 0.50 H new ATOM 0 HB2 LYS A 114 -10.286 10.151 3.734 1.00 0.58 H new ATOM 0 HB3 LYS A 114 -9.567 8.748 2.968 1.00 0.58 H new ATOM 0 HG2 LYS A 114 -10.218 7.314 4.801 1.00 0.69 H new ATOM 0 HG3 LYS A 114 -10.718 8.684 5.773 1.00 0.69 H new ATOM 0 HD2 LYS A 114 -11.992 7.968 3.105 1.00 0.89 H new ATOM 0 HD3 LYS A 114 -12.601 7.404 4.648 1.00 0.89 H new ATOM 0 HE2 LYS A 114 -12.696 9.888 5.350 1.00 1.33 H new ATOM 0 HE3 LYS A 114 -12.423 10.271 3.662 1.00 1.33 H new ATOM 0 HZ1 LYS A 114 -14.684 10.240 3.736 1.00 1.69 H new ATOM 0 HZ2 LYS A 114 -14.406 8.617 3.321 1.00 1.69 H new ATOM 0 HZ3 LYS A 114 -14.762 9.033 4.928 1.00 1.69 H new ATOM 1883 N GLU A 115 -8.771 9.695 7.009 1.00 0.54 N ATOM 1884 CA GLU A 115 -8.981 10.380 8.279 1.00 0.61 C ATOM 1885 C GLU A 115 -7.753 11.191 8.672 1.00 0.61 C ATOM 1886 O GLU A 115 -7.867 12.346 9.081 1.00 0.71 O ATOM 1887 CB GLU A 115 -9.322 9.383 9.386 1.00 0.68 C ATOM 1888 CG GLU A 115 -10.784 8.970 9.397 1.00 0.98 C ATOM 1889 CD GLU A 115 -11.704 10.093 9.819 1.00 1.47 C ATOM 1890 OE1 GLU A 115 -11.973 10.992 8.994 1.00 1.99 O ATOM 1891 OE2 GLU A 115 -12.172 10.078 10.976 1.00 2.20 O ATOM 0 H GLU A 115 -8.746 8.678 7.077 1.00 0.54 H new ATOM 0 HA GLU A 115 -9.822 11.062 8.150 1.00 0.61 H new ATOM 0 HB2 GLU A 115 -8.702 8.494 9.268 1.00 0.68 H new ATOM 0 HB3 GLU A 115 -9.069 9.822 10.351 1.00 0.68 H new ATOM 0 HG2 GLU A 115 -11.068 8.627 8.402 1.00 0.98 H new ATOM 0 HG3 GLU A 115 -10.914 8.126 10.074 1.00 0.98 H new ATOM 1898 N ARG A 116 -6.578 10.594 8.529 1.00 0.57 N ATOM 1899 CA ARG A 116 -5.336 11.272 8.881 1.00 0.62 C ATOM 1900 C ARG A 116 -4.809 12.096 7.710 1.00 0.58 C ATOM 1901 O ARG A 116 -3.704 12.636 7.776 1.00 0.63 O ATOM 1902 CB ARG A 116 -4.283 10.257 9.332 1.00 0.67 C ATOM 1903 CG ARG A 116 -4.598 9.624 10.679 1.00 0.80 C ATOM 1904 CD ARG A 116 -3.452 8.764 11.184 1.00 1.19 C ATOM 1905 NE ARG A 116 -3.691 8.309 12.551 1.00 1.74 N ATOM 1906 CZ ARG A 116 -2.743 7.873 13.377 1.00 2.40 C ATOM 1907 NH1 ARG A 116 -1.489 7.760 12.960 1.00 2.79 N ATOM 1908 NH2 ARG A 116 -3.058 7.524 14.615 1.00 3.23 N ATOM 0 H ARG A 116 -6.458 9.646 8.173 1.00 0.57 H new ATOM 0 HA ARG A 116 -5.546 11.952 9.707 1.00 0.62 H new ATOM 0 HB2 ARG A 116 -4.199 9.472 8.580 1.00 0.67 H new ATOM 0 HB3 ARG A 116 -3.313 10.750 9.388 1.00 0.67 H new ATOM 0 HG2 ARG A 116 -4.812 10.407 11.407 1.00 0.80 H new ATOM 0 HG3 ARG A 116 -5.498 9.015 10.592 1.00 0.80 H new ATOM 0 HD2 ARG A 116 -3.325 7.902 10.529 1.00 1.19 H new ATOM 0 HD3 ARG A 116 -2.523 9.333 11.145 1.00 1.19 H new ATOM 0 HE ARG A 116 -4.651 8.327 12.896 1.00 1.74 H new ATOM 0 HH11 ARG A 116 -1.246 8.008 12.001 1.00 2.79 H new ATOM 0 HH12 ARG A 116 -0.767 7.425 13.598 1.00 2.79 H new ATOM 0 HH21 ARG A 116 -4.025 7.590 14.933 1.00 3.23 H new ATOM 0 HH22 ARG A 116 -2.334 7.189 15.250 1.00 3.23 H new ATOM 1922 N ASN A 117 -5.616 12.185 6.651 1.00 0.52 N ATOM 1923 CA ASN A 117 -5.267 12.941 5.447 1.00 0.52 C ATOM 1924 C ASN A 117 -3.851 12.600 4.982 1.00 0.50 C ATOM 1925 O ASN A 117 -2.973 13.466 4.916 1.00 0.57 O ATOM 1926 CB ASN A 117 -5.394 14.444 5.715 1.00 0.63 C ATOM 1927 CG ASN A 117 -5.592 15.258 4.448 1.00 1.18 C ATOM 1928 OD1 ASN A 117 -4.630 15.675 3.799 1.00 2.00 O ATOM 1929 ND2 ASN A 117 -6.846 15.505 4.095 1.00 1.74 N ATOM 0 H ASN A 117 -6.530 11.735 6.604 1.00 0.52 H new ATOM 0 HA ASN A 117 -5.960 12.664 4.653 1.00 0.52 H new ATOM 0 HB2 ASN A 117 -6.234 14.618 6.387 1.00 0.63 H new ATOM 0 HB3 ASN A 117 -4.498 14.793 6.228 1.00 0.63 H new ATOM 0 HD21 ASN A 117 -7.041 16.058 3.260 1.00 1.74 H new ATOM 0 HD22 ASN A 117 -7.615 15.142 4.658 1.00 1.74 H new ATOM 1936 N ILE A 118 -3.628 11.327 4.697 1.00 0.46 N ATOM 1937 CA ILE A 118 -2.320 10.863 4.259 1.00 0.48 C ATOM 1938 C ILE A 118 -2.042 11.293 2.820 1.00 0.47 C ATOM 1939 O ILE A 118 -0.979 11.834 2.516 1.00 0.54 O ATOM 1940 CB ILE A 118 -2.197 9.325 4.368 1.00 0.50 C ATOM 1941 CG1 ILE A 118 -2.526 8.850 5.790 1.00 0.54 C ATOM 1942 CG2 ILE A 118 -0.801 8.869 3.964 1.00 0.55 C ATOM 1943 CD1 ILE A 118 -1.572 9.358 6.851 1.00 0.61 C ATOM 0 H ILE A 118 -4.336 10.596 4.761 1.00 0.46 H new ATOM 0 HA ILE A 118 -1.582 11.319 4.920 1.00 0.48 H new ATOM 0 HB ILE A 118 -2.918 8.878 3.684 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -3.537 9.170 6.043 1.00 0.54 H new ATOM 0 HG13 ILE A 118 -2.523 7.760 5.807 1.00 0.54 H new ATOM 0 HG21 ILE A 118 -0.734 7.784 4.047 1.00 0.55 H new ATOM 0 HG22 ILE A 118 -0.605 9.167 2.934 1.00 0.55 H new ATOM 0 HG23 ILE A 118 -0.063 9.329 4.621 1.00 0.55 H new ATOM 0 HD11 ILE A 118 -1.875 8.976 7.826 1.00 0.61 H new ATOM 0 HD12 ILE A 118 -0.562 9.016 6.626 1.00 0.61 H new ATOM 0 HD13 ILE A 118 -1.591 10.448 6.866 1.00 0.61 H new ATOM 1955 N PHE A 119 -3.011 11.064 1.948 1.00 0.45 N ATOM 1956 CA PHE A 119 -2.871 11.411 0.541 1.00 0.47 C ATOM 1957 C PHE A 119 -3.621 12.700 0.223 1.00 0.49 C ATOM 1958 O PHE A 119 -4.312 13.253 1.077 1.00 0.51 O ATOM 1959 CB PHE A 119 -3.405 10.277 -0.341 1.00 0.48 C ATOM 1960 CG PHE A 119 -2.735 8.952 -0.105 1.00 0.43 C ATOM 1961 CD1 PHE A 119 -3.219 8.080 0.855 1.00 1.12 C ATOM 1962 CD2 PHE A 119 -1.627 8.580 -0.846 1.00 1.26 C ATOM 1963 CE1 PHE A 119 -2.608 6.862 1.073 1.00 1.13 C ATOM 1964 CE2 PHE A 119 -1.011 7.361 -0.634 1.00 1.26 C ATOM 1965 CZ PHE A 119 -1.503 6.500 0.326 1.00 0.44 C ATOM 0 H PHE A 119 -3.906 10.638 2.190 1.00 0.45 H new ATOM 0 HA PHE A 119 -1.811 11.561 0.335 1.00 0.47 H new ATOM 0 HB2 PHE A 119 -4.475 10.168 -0.166 1.00 0.48 H new ATOM 0 HB3 PHE A 119 -3.280 10.555 -1.388 1.00 0.48 H new ATOM 0 HD1 PHE A 119 -4.084 8.356 1.440 1.00 1.12 H new ATOM 0 HD2 PHE A 119 -1.239 9.250 -1.599 1.00 1.26 H new ATOM 0 HE1 PHE A 119 -2.993 6.192 1.827 1.00 1.13 H new ATOM 0 HE2 PHE A 119 -0.146 7.083 -1.218 1.00 1.26 H new ATOM 0 HZ PHE A 119 -1.026 5.546 0.493 1.00 0.44 H new ATOM 1975 N SER A 120 -3.474 13.171 -1.008 1.00 0.51 N ATOM 1976 CA SER A 120 -4.148 14.382 -1.447 1.00 0.55 C ATOM 1977 C SER A 120 -5.642 14.116 -1.594 1.00 0.50 C ATOM 1978 O SER A 120 -6.041 13.056 -2.078 1.00 0.48 O ATOM 1979 CB SER A 120 -3.557 14.863 -2.780 1.00 0.63 C ATOM 1980 OG SER A 120 -4.322 15.918 -3.341 1.00 1.30 O ATOM 0 H SER A 120 -2.892 12.731 -1.721 1.00 0.51 H new ATOM 0 HA SER A 120 -4.000 15.163 -0.701 1.00 0.55 H new ATOM 0 HB2 SER A 120 -2.532 15.199 -2.624 1.00 0.63 H new ATOM 0 HB3 SER A 120 -3.516 14.030 -3.482 1.00 0.63 H new ATOM 0 HG SER A 120 -3.917 16.201 -4.187 1.00 1.30 H new ATOM 1986 N LYS A 121 -6.458 15.078 -1.175 1.00 0.56 N ATOM 1987 CA LYS A 121 -7.913 14.953 -1.245 1.00 0.56 C ATOM 1988 C LYS A 121 -8.382 14.593 -2.653 1.00 0.53 C ATOM 1989 O LYS A 121 -9.397 13.919 -2.822 1.00 0.52 O ATOM 1990 CB LYS A 121 -8.577 16.250 -0.791 1.00 0.70 C ATOM 1991 CG LYS A 121 -8.509 16.470 0.712 1.00 1.23 C ATOM 1992 CD LYS A 121 -9.873 16.298 1.366 1.00 1.78 C ATOM 1993 CE LYS A 121 -10.807 17.453 1.030 1.00 2.37 C ATOM 1994 NZ LYS A 121 -10.328 18.741 1.595 1.00 2.85 N ATOM 0 H LYS A 121 -6.134 15.961 -0.780 1.00 0.56 H new ATOM 0 HA LYS A 121 -8.206 14.143 -0.577 1.00 0.56 H new ATOM 0 HB2 LYS A 121 -8.099 17.090 -1.296 1.00 0.70 H new ATOM 0 HB3 LYS A 121 -9.621 16.243 -1.103 1.00 0.70 H new ATOM 0 HG2 LYS A 121 -7.803 15.766 1.152 1.00 1.23 H new ATOM 0 HG3 LYS A 121 -8.130 17.471 0.917 1.00 1.23 H new ATOM 0 HD2 LYS A 121 -10.320 15.360 1.035 1.00 1.78 H new ATOM 0 HD3 LYS A 121 -9.752 16.230 2.447 1.00 1.78 H new ATOM 0 HE2 LYS A 121 -10.896 17.543 -0.053 1.00 2.37 H new ATOM 0 HE3 LYS A 121 -11.803 17.237 1.415 1.00 2.37 H new ATOM 0 HZ1 LYS A 121 -11.108 19.429 1.599 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -9.994 18.590 2.568 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -9.547 19.106 1.013 1.00 2.85 H new ATOM 2008 N GLN A 122 -7.633 15.036 -3.655 1.00 0.60 N ATOM 2009 CA GLN A 122 -7.967 14.753 -5.043 1.00 0.67 C ATOM 2010 C GLN A 122 -7.946 13.252 -5.319 1.00 0.60 C ATOM 2011 O GLN A 122 -8.900 12.695 -5.865 1.00 0.73 O ATOM 2012 CB GLN A 122 -6.989 15.467 -5.977 1.00 0.80 C ATOM 2013 CG GLN A 122 -7.460 16.846 -6.400 1.00 1.48 C ATOM 2014 CD GLN A 122 -8.706 16.798 -7.266 1.00 2.20 C ATOM 2015 OE1 GLN A 122 -9.560 17.683 -7.189 1.00 2.95 O ATOM 2016 NE2 GLN A 122 -8.820 15.773 -8.106 1.00 2.69 N ATOM 0 H GLN A 122 -6.788 15.594 -3.531 1.00 0.60 H new ATOM 0 HA GLN A 122 -8.976 15.121 -5.228 1.00 0.67 H new ATOM 0 HB2 GLN A 122 -6.023 15.557 -5.480 1.00 0.80 H new ATOM 0 HB3 GLN A 122 -6.834 14.855 -6.866 1.00 0.80 H new ATOM 0 HG2 GLN A 122 -7.662 17.445 -5.512 1.00 1.48 H new ATOM 0 HG3 GLN A 122 -6.661 17.347 -6.947 1.00 1.48 H new ATOM 0 HE21 GLN A 122 -8.092 15.059 -8.141 1.00 2.69 H new ATOM 0 HE22 GLN A 122 -9.635 15.701 -8.715 1.00 2.69 H new ATOM 2025 N VAL A 123 -6.870 12.595 -4.911 1.00 0.51 N ATOM 2026 CA VAL A 123 -6.736 11.164 -5.134 1.00 0.53 C ATOM 2027 C VAL A 123 -7.543 10.371 -4.107 1.00 0.48 C ATOM 2028 O VAL A 123 -8.000 9.267 -4.395 1.00 0.48 O ATOM 2029 CB VAL A 123 -5.253 10.719 -5.132 1.00 0.67 C ATOM 2030 CG1 VAL A 123 -4.699 10.598 -3.720 1.00 0.95 C ATOM 2031 CG2 VAL A 123 -5.094 9.414 -5.893 1.00 1.28 C ATOM 0 H VAL A 123 -6.083 13.027 -4.427 1.00 0.51 H new ATOM 0 HA VAL A 123 -7.140 10.952 -6.124 1.00 0.53 H new ATOM 0 HB VAL A 123 -4.673 11.491 -5.637 1.00 0.67 H new ATOM 0 HG11 VAL A 123 -3.656 10.284 -3.764 1.00 0.95 H new ATOM 0 HG12 VAL A 123 -4.766 11.564 -3.219 1.00 0.95 H new ATOM 0 HG13 VAL A 123 -5.277 9.860 -3.164 1.00 0.95 H new ATOM 0 HG21 VAL A 123 -4.047 9.113 -5.884 1.00 1.28 H new ATOM 0 HG22 VAL A 123 -5.698 8.640 -5.419 1.00 1.28 H new ATOM 0 HG23 VAL A 123 -5.423 9.551 -6.923 1.00 1.28 H new ATOM 2041 N VAL A 124 -7.737 10.943 -2.922 1.00 0.48 N ATOM 2042 CA VAL A 124 -8.509 10.282 -1.873 1.00 0.49 C ATOM 2043 C VAL A 124 -9.935 10.043 -2.354 1.00 0.47 C ATOM 2044 O VAL A 124 -10.505 8.968 -2.154 1.00 0.50 O ATOM 2045 CB VAL A 124 -8.529 11.113 -0.566 1.00 0.56 C ATOM 2046 CG1 VAL A 124 -9.571 10.584 0.414 1.00 1.23 C ATOM 2047 CG2 VAL A 124 -7.152 11.114 0.084 1.00 1.11 C ATOM 0 H VAL A 124 -7.372 11.860 -2.664 1.00 0.48 H new ATOM 0 HA VAL A 124 -8.028 9.329 -1.655 1.00 0.49 H new ATOM 0 HB VAL A 124 -8.800 12.136 -0.827 1.00 0.56 H new ATOM 0 HG11 VAL A 124 -9.559 11.190 1.320 1.00 1.23 H new ATOM 0 HG12 VAL A 124 -10.559 10.635 -0.043 1.00 1.23 H new ATOM 0 HG13 VAL A 124 -9.341 9.549 0.666 1.00 1.23 H new ATOM 0 HG21 VAL A 124 -7.183 11.702 1.001 1.00 1.11 H new ATOM 0 HG22 VAL A 124 -6.860 10.091 0.319 1.00 1.11 H new ATOM 0 HG23 VAL A 124 -6.426 11.550 -0.602 1.00 1.11 H new ATOM 2057 N ASN A 125 -10.487 11.047 -3.020 1.00 0.47 N ATOM 2058 CA ASN A 125 -11.837 10.962 -3.557 1.00 0.50 C ATOM 2059 C ASN A 125 -11.929 9.845 -4.585 1.00 0.49 C ATOM 2060 O ASN A 125 -12.926 9.125 -4.643 1.00 0.55 O ATOM 2061 CB ASN A 125 -12.250 12.289 -4.204 1.00 0.58 C ATOM 2062 CG ASN A 125 -12.918 13.237 -3.226 1.00 1.10 C ATOM 2063 OD1 ASN A 125 -14.118 13.136 -2.967 1.00 1.74 O ATOM 2064 ND2 ASN A 125 -12.152 14.169 -2.679 1.00 1.74 N ATOM 0 H ASN A 125 -10.018 11.934 -3.202 1.00 0.47 H new ATOM 0 HA ASN A 125 -12.515 10.747 -2.731 1.00 0.50 H new ATOM 0 HB2 ASN A 125 -11.369 12.772 -4.627 1.00 0.58 H new ATOM 0 HB3 ASN A 125 -12.931 12.088 -5.031 1.00 0.58 H new ATOM 0 HD21 ASN A 125 -12.552 14.835 -2.018 1.00 1.74 H new ATOM 0 HD22 ASN A 125 -11.162 14.221 -2.919 1.00 1.74 H new ATOM 2071 N ASP A 126 -10.871 9.689 -5.378 1.00 0.47 N ATOM 2072 CA ASP A 126 -10.835 8.658 -6.408 1.00 0.48 C ATOM 2073 C ASP A 126 -10.803 7.273 -5.774 1.00 0.45 C ATOM 2074 O ASP A 126 -11.411 6.330 -6.286 1.00 0.48 O ATOM 2075 CB ASP A 126 -9.623 8.842 -7.321 1.00 0.52 C ATOM 2076 CG ASP A 126 -9.874 8.334 -8.728 1.00 0.76 C ATOM 2077 OD1 ASP A 126 -9.606 7.145 -9.000 1.00 1.43 O ATOM 2078 OD2 ASP A 126 -10.334 9.132 -9.575 1.00 1.44 O ATOM 0 H ASP A 126 -10.030 10.263 -5.326 1.00 0.47 H new ATOM 0 HA ASP A 126 -11.739 8.751 -7.010 1.00 0.48 H new ATOM 0 HB2 ASP A 126 -9.359 9.899 -7.361 1.00 0.52 H new ATOM 0 HB3 ASP A 126 -8.768 8.316 -6.895 1.00 0.52 H new ATOM 2083 N ILE A 127 -10.099 7.157 -4.651 1.00 0.42 N ATOM 2084 CA ILE A 127 -10.007 5.893 -3.933 1.00 0.42 C ATOM 2085 C ILE A 127 -11.387 5.481 -3.432 1.00 0.43 C ATOM 2086 O ILE A 127 -11.832 4.352 -3.649 1.00 0.45 O ATOM 2087 CB ILE A 127 -9.040 5.983 -2.732 1.00 0.42 C ATOM 2088 CG1 ILE A 127 -7.653 6.445 -3.192 1.00 0.44 C ATOM 2089 CG2 ILE A 127 -8.948 4.640 -2.024 1.00 0.47 C ATOM 2090 CD1 ILE A 127 -6.690 6.714 -2.054 1.00 0.46 C ATOM 0 H ILE A 127 -9.584 7.925 -4.220 1.00 0.42 H new ATOM 0 HA ILE A 127 -9.619 5.149 -4.629 1.00 0.42 H new ATOM 0 HB ILE A 127 -9.430 6.718 -2.028 1.00 0.42 H new ATOM 0 HG12 ILE A 127 -7.225 5.685 -3.846 1.00 0.44 H new ATOM 0 HG13 ILE A 127 -7.761 7.352 -3.786 1.00 0.44 H new ATOM 0 HG21 ILE A 127 -8.263 4.720 -1.180 1.00 0.47 H new ATOM 0 HG22 ILE A 127 -9.935 4.350 -1.664 1.00 0.47 H new ATOM 0 HG23 ILE A 127 -8.580 3.886 -2.720 1.00 0.47 H new ATOM 0 HD11 ILE A 127 -5.730 7.037 -2.458 1.00 0.46 H new ATOM 0 HD12 ILE A 127 -7.095 7.496 -1.412 1.00 0.46 H new ATOM 0 HD13 ILE A 127 -6.551 5.803 -1.472 1.00 0.46 H new ATOM 2102 N GLU A 128 -12.071 6.421 -2.783 1.00 0.46 N ATOM 2103 CA GLU A 128 -13.407 6.173 -2.255 1.00 0.51 C ATOM 2104 C GLU A 128 -14.377 5.842 -3.386 1.00 0.52 C ATOM 2105 O GLU A 128 -15.220 4.954 -3.254 1.00 0.55 O ATOM 2106 CB GLU A 128 -13.908 7.382 -1.461 1.00 0.62 C ATOM 2107 CG GLU A 128 -13.065 7.697 -0.237 1.00 1.04 C ATOM 2108 CD GLU A 128 -13.754 8.653 0.713 1.00 1.37 C ATOM 2109 OE1 GLU A 128 -13.601 9.879 0.555 1.00 1.75 O ATOM 2110 OE2 GLU A 128 -14.464 8.180 1.628 1.00 2.05 O ATOM 0 H GLU A 128 -11.719 7.363 -2.611 1.00 0.46 H new ATOM 0 HA GLU A 128 -13.354 5.317 -1.582 1.00 0.51 H new ATOM 0 HB2 GLU A 128 -13.925 8.254 -2.115 1.00 0.62 H new ATOM 0 HB3 GLU A 128 -14.936 7.199 -1.147 1.00 0.62 H new ATOM 0 HG2 GLU A 128 -12.834 6.771 0.289 1.00 1.04 H new ATOM 0 HG3 GLU A 128 -12.116 8.128 -0.555 1.00 1.04 H new ATOM 2117 N ARG A 129 -14.243 6.553 -4.504 1.00 0.55 N ATOM 2118 CA ARG A 129 -15.091 6.321 -5.668 1.00 0.64 C ATOM 2119 C ARG A 129 -14.888 4.908 -6.198 1.00 0.59 C ATOM 2120 O ARG A 129 -15.848 4.212 -6.526 1.00 0.62 O ATOM 2121 CB ARG A 129 -14.783 7.331 -6.775 1.00 0.77 C ATOM 2122 CG ARG A 129 -15.436 8.689 -6.572 1.00 1.07 C ATOM 2123 CD ARG A 129 -16.953 8.590 -6.578 1.00 1.55 C ATOM 2124 NE ARG A 129 -17.576 9.856 -6.955 1.00 2.26 N ATOM 2125 CZ ARG A 129 -18.010 10.765 -6.082 1.00 3.05 C ATOM 2126 NH1 ARG A 129 -17.935 10.529 -4.775 1.00 3.37 N ATOM 2127 NH2 ARG A 129 -18.527 11.905 -6.514 1.00 3.98 N ATOM 0 H ARG A 129 -13.554 7.295 -4.627 1.00 0.55 H new ATOM 0 HA ARG A 129 -16.129 6.444 -5.358 1.00 0.64 H new ATOM 0 HB2 ARG A 129 -13.703 7.465 -6.841 1.00 0.77 H new ATOM 0 HB3 ARG A 129 -15.112 6.920 -7.729 1.00 0.77 H new ATOM 0 HG2 ARG A 129 -15.103 9.115 -5.626 1.00 1.07 H new ATOM 0 HG3 ARG A 129 -15.113 9.370 -7.360 1.00 1.07 H new ATOM 0 HD2 ARG A 129 -17.264 7.810 -7.273 1.00 1.55 H new ATOM 0 HD3 ARG A 129 -17.302 8.293 -5.589 1.00 1.55 H new ATOM 0 HE ARG A 129 -17.686 10.057 -7.949 1.00 2.26 H new ATOM 0 HH11 ARG A 129 -17.544 9.650 -4.437 1.00 3.37 H new ATOM 0 HH12 ARG A 129 -18.268 11.228 -4.111 1.00 3.37 H new ATOM 0 HH21 ARG A 129 -18.593 12.088 -7.515 1.00 3.98 H new ATOM 0 HH22 ARG A 129 -18.859 12.600 -5.845 1.00 3.98 H new ATOM 2141 N SER A 130 -13.627 4.492 -6.264 1.00 0.56 N ATOM 2142 CA SER A 130 -13.277 3.165 -6.749 1.00 0.57 C ATOM 2143 C SER A 130 -13.832 2.087 -5.824 1.00 0.54 C ATOM 2144 O SER A 130 -14.281 1.035 -6.280 1.00 0.60 O ATOM 2145 CB SER A 130 -11.756 3.038 -6.866 1.00 0.58 C ATOM 2146 OG SER A 130 -11.235 4.024 -7.742 1.00 0.70 O ATOM 0 H SER A 130 -12.827 5.060 -5.985 1.00 0.56 H new ATOM 0 HA SER A 130 -13.721 3.026 -7.735 1.00 0.57 H new ATOM 0 HB2 SER A 130 -11.301 3.143 -5.881 1.00 0.58 H new ATOM 0 HB3 SER A 130 -11.496 2.045 -7.233 1.00 0.58 H new ATOM 0 HG SER A 130 -11.200 4.887 -7.279 1.00 0.70 H new ATOM 2152 N LEU A 131 -13.806 2.355 -4.526 1.00 0.49 N ATOM 2153 CA LEU A 131 -14.319 1.409 -3.546 1.00 0.50 C ATOM 2154 C LEU A 131 -15.828 1.243 -3.689 1.00 0.52 C ATOM 2155 O LEU A 131 -16.341 0.126 -3.692 1.00 0.56 O ATOM 2156 CB LEU A 131 -13.983 1.866 -2.126 1.00 0.52 C ATOM 2157 CG LEU A 131 -12.494 1.872 -1.773 1.00 0.83 C ATOM 2158 CD1 LEU A 131 -12.292 2.300 -0.332 1.00 1.28 C ATOM 2159 CD2 LEU A 131 -11.877 0.501 -1.999 1.00 1.33 C ATOM 0 H LEU A 131 -13.436 3.218 -4.128 1.00 0.49 H new ATOM 0 HA LEU A 131 -13.841 0.447 -3.731 1.00 0.50 H new ATOM 0 HB2 LEU A 131 -14.377 2.872 -1.984 1.00 0.52 H new ATOM 0 HB3 LEU A 131 -14.503 1.218 -1.421 1.00 0.52 H new ATOM 0 HG LEU A 131 -11.996 2.587 -2.428 1.00 0.83 H new ATOM 0 HD11 LEU A 131 -11.227 2.299 -0.098 1.00 1.28 H new ATOM 0 HD12 LEU A 131 -12.693 3.304 -0.191 1.00 1.28 H new ATOM 0 HD13 LEU A 131 -12.810 1.606 0.330 1.00 1.28 H new ATOM 0 HD21 LEU A 131 -10.818 0.531 -1.741 1.00 1.33 H new ATOM 0 HD22 LEU A 131 -12.382 -0.233 -1.372 1.00 1.33 H new ATOM 0 HD23 LEU A 131 -11.987 0.221 -3.047 1.00 1.33 H new ATOM 2171 N ALA A 132 -16.531 2.363 -3.815 1.00 0.56 N ATOM 2172 CA ALA A 132 -17.980 2.344 -3.961 1.00 0.62 C ATOM 2173 C ALA A 132 -18.387 1.743 -5.303 1.00 0.64 C ATOM 2174 O ALA A 132 -19.448 1.129 -5.423 1.00 0.69 O ATOM 2175 CB ALA A 132 -18.543 3.749 -3.809 1.00 0.68 C ATOM 0 H ALA A 132 -16.119 3.296 -3.819 1.00 0.56 H new ATOM 0 HA ALA A 132 -18.395 1.715 -3.173 1.00 0.62 H new ATOM 0 HB1 ALA A 132 -19.627 3.721 -3.920 1.00 0.68 H new ATOM 0 HB2 ALA A 132 -18.290 4.138 -2.823 1.00 0.68 H new ATOM 0 HB3 ALA A 132 -18.116 4.397 -4.575 1.00 0.68 H new ATOM 2181 N ALA A 133 -17.525 1.911 -6.304 1.00 0.66 N ATOM 2182 CA ALA A 133 -17.772 1.389 -7.648 1.00 0.73 C ATOM 2183 C ALA A 133 -17.885 -0.132 -7.651 1.00 0.73 C ATOM 2184 O ALA A 133 -18.473 -0.719 -8.562 1.00 0.84 O ATOM 2185 CB ALA A 133 -16.673 1.835 -8.599 1.00 0.84 C ATOM 0 H ALA A 133 -16.640 2.410 -6.208 1.00 0.66 H new ATOM 0 HA ALA A 133 -18.725 1.794 -7.988 1.00 0.73 H new ATOM 0 HB1 ALA A 133 -16.871 1.439 -9.595 1.00 0.84 H new ATOM 0 HB2 ALA A 133 -16.647 2.924 -8.640 1.00 0.84 H new ATOM 0 HB3 ALA A 133 -15.712 1.463 -8.245 1.00 0.84 H new ATOM 2191 N ALA A 134 -17.325 -0.765 -6.627 1.00 0.68 N ATOM 2192 CA ALA A 134 -17.365 -2.214 -6.513 1.00 0.74 C ATOM 2193 C ALA A 134 -18.758 -2.696 -6.114 1.00 0.84 C ATOM 2194 O ALA A 134 -19.094 -3.863 -6.298 1.00 1.12 O ATOM 2195 CB ALA A 134 -16.331 -2.694 -5.507 1.00 0.72 C ATOM 0 H ALA A 134 -16.838 -0.295 -5.864 1.00 0.68 H new ATOM 0 HA ALA A 134 -17.128 -2.636 -7.490 1.00 0.74 H new ATOM 0 HB1 ALA A 134 -16.373 -3.781 -5.432 1.00 0.72 H new ATOM 0 HB2 ALA A 134 -15.337 -2.391 -5.835 1.00 0.72 H new ATOM 0 HB3 ALA A 134 -16.541 -2.255 -4.532 1.00 0.72 H new