USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 810 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 65 GLN : amide:sc= 0 X(o=-0.67,f=-0.67) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -0.666 USER MOD Set 2.1: A 57 CYS SG : rot 180:sc= -0.486 USER MOD Set 2.2: A 89 HIS : +bothHN:sc= -0.973 K(o=-1.5,f=-3.1!) USER MOD Set 3.1: A 29 TYR OH : rot 152:sc= -0.28 USER MOD Set 3.2: A 97 THR OG1 : rot 53:sc= 0.238 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.852 USER MOD Single : A 15 LYS NZ :NH3+ -125:sc= -0.268 (180deg=-0.474) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.866 K(o=0.87,f=-0.19) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.67 K(o=-0.67,f=-7.7!) USER MOD Single : A 38 SER OG : rot -54:sc= 1 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -133:sc= 0.368 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc=-0.00452 X(o=-0.0045,f=-0.15) USER MOD Single : A 67 SER OG : rot 91:sc= 0.969 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.2!) USER MOD Single : A 81 THR OG1 : rot 78:sc= 0.665 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0389 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.471 USER MOD Single : A 90 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.31) USER MOD Single : A 95 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00997) USER MOD Single : A 98 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.00221) USER MOD Single : A 103 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.000699) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 6 0.251 7.282 1.166 1.00 4.21 N ATOM 53 CA SER A 6 0.318 8.654 1.656 1.00 14.44 C ATOM 54 C SER A 6 -0.330 9.616 0.665 1.00 33.42 C ATOM 55 O SER A 6 0.101 9.727 -0.483 1.00 71.22 O ATOM 56 CB SER A 6 1.771 9.060 1.903 1.00 30.23 C ATOM 57 OG SER A 6 2.033 9.199 3.288 1.00 64.41 O ATOM 0 HA SER A 6 -0.230 8.705 2.597 1.00 14.44 H new ATOM 0 HB2 SER A 6 2.439 8.311 1.477 1.00 30.23 H new ATOM 0 HB3 SER A 6 1.981 10.001 1.394 1.00 30.23 H new ATOM 0 HG SER A 6 2.969 9.457 3.420 1.00 64.41 H new ATOM 63 N VAL A 7 -1.370 10.311 1.118 1.00 4.14 N ATOM 64 CA VAL A 7 -2.078 11.265 0.273 1.00 11.52 C ATOM 65 C VAL A 7 -1.225 12.500 0.004 1.00 63.15 C ATOM 66 O VAL A 7 -1.001 12.875 -1.148 1.00 61.22 O ATOM 67 CB VAL A 7 -3.408 11.703 0.913 1.00 54.15 C ATOM 68 CG1 VAL A 7 -4.167 12.638 -0.016 1.00 2.30 C ATOM 69 CG2 VAL A 7 -4.254 10.489 1.267 1.00 4.53 C ATOM 0 H VAL A 7 -1.740 10.231 2.065 1.00 4.14 H new ATOM 0 HA VAL A 7 -2.286 10.759 -0.669 1.00 11.52 H new ATOM 0 HB VAL A 7 -3.187 12.245 1.833 1.00 54.15 H new ATOM 0 HG11 VAL A 7 -5.104 12.936 0.454 1.00 2.30 H new ATOM 0 HG12 VAL A 7 -3.563 13.523 -0.215 1.00 2.30 H new ATOM 0 HG13 VAL A 7 -4.379 12.125 -0.954 1.00 2.30 H new ATOM 0 HG21 VAL A 7 -5.190 10.817 1.718 1.00 4.53 H new ATOM 0 HG22 VAL A 7 -4.467 9.918 0.363 1.00 4.53 H new ATOM 0 HG23 VAL A 7 -3.711 9.861 1.973 1.00 4.53 H new ATOM 79 N LEU A 8 -0.750 13.128 1.075 1.00 14.35 N ATOM 80 CA LEU A 8 0.079 14.322 0.955 1.00 42.55 C ATOM 81 C LEU A 8 1.451 14.096 1.581 1.00 52.35 C ATOM 82 O LEU A 8 1.559 13.585 2.696 1.00 62.13 O ATOM 83 CB LEU A 8 -0.609 15.514 1.623 1.00 31.44 C ATOM 84 CG LEU A 8 -1.805 16.103 0.874 1.00 70.14 C ATOM 85 CD1 LEU A 8 -2.612 17.011 1.789 1.00 55.21 C ATOM 86 CD2 LEU A 8 -1.341 16.863 -0.360 1.00 34.10 C ATOM 0 H LEU A 8 -0.925 12.830 2.035 1.00 14.35 H new ATOM 0 HA LEU A 8 0.214 14.536 -0.105 1.00 42.55 H new ATOM 0 HB2 LEU A 8 -0.942 15.207 2.615 1.00 31.44 H new ATOM 0 HB3 LEU A 8 0.130 16.302 1.764 1.00 31.44 H new ATOM 0 HG LEU A 8 -2.446 15.283 0.551 1.00 70.14 H new ATOM 0 HD11 LEU A 8 -3.459 17.421 1.239 1.00 55.21 H new ATOM 0 HD12 LEU A 8 -2.976 16.438 2.642 1.00 55.21 H new ATOM 0 HD13 LEU A 8 -1.980 17.826 2.143 1.00 55.21 H new ATOM 0 HD21 LEU A 8 -2.206 17.275 -0.880 1.00 34.10 H new ATOM 0 HD22 LEU A 8 -0.678 17.674 -0.060 1.00 34.10 H new ATOM 0 HD23 LEU A 8 -0.807 16.185 -1.025 1.00 34.10 H new ATOM 98 N SER A 9 2.497 14.482 0.858 1.00 62.22 N ATOM 99 CA SER A 9 3.863 14.320 1.343 1.00 32.43 C ATOM 100 C SER A 9 4.189 15.363 2.407 1.00 61.14 C ATOM 101 O SER A 9 3.302 16.049 2.914 1.00 13.23 O ATOM 102 CB SER A 9 4.855 14.431 0.183 1.00 61.11 C ATOM 103 OG SER A 9 5.304 15.765 0.023 1.00 62.34 O ATOM 0 H SER A 9 2.425 14.909 -0.066 1.00 62.22 H new ATOM 0 HA SER A 9 3.948 13.330 1.791 1.00 32.43 H new ATOM 0 HB2 SER A 9 5.707 13.776 0.365 1.00 61.11 H new ATOM 0 HB3 SER A 9 4.382 14.090 -0.738 1.00 61.11 H new ATOM 0 HG SER A 9 5.938 15.810 -0.723 1.00 62.34 H new ATOM 109 N GLY A 10 5.471 15.477 2.743 1.00 21.44 N ATOM 110 CA GLY A 10 5.893 16.438 3.745 1.00 72.14 C ATOM 111 C GLY A 10 5.576 17.866 3.349 1.00 35.32 C ATOM 112 O GLY A 10 4.799 18.546 4.019 1.00 34.02 O ATOM 0 H GLY A 10 6.224 14.921 2.339 1.00 21.44 H new ATOM 0 HA2 GLY A 10 5.403 16.210 4.692 1.00 72.14 H new ATOM 0 HA3 GLY A 10 6.966 16.340 3.909 1.00 72.14 H new ATOM 116 N GLY A 11 6.179 18.325 2.257 1.00 44.50 N ATOM 117 CA GLY A 11 5.946 19.679 1.792 1.00 3.01 C ATOM 118 C GLY A 11 4.479 19.960 1.540 1.00 75.45 C ATOM 119 O GLY A 11 3.990 21.051 1.833 1.00 33.13 O ATOM 0 H GLY A 11 6.826 17.782 1.685 1.00 44.50 H new ATOM 0 HA2 GLY A 11 6.326 20.384 2.531 1.00 3.01 H new ATOM 0 HA3 GLY A 11 6.508 19.846 0.873 1.00 3.01 H new ATOM 123 N GLU A 12 3.774 18.975 0.993 1.00 41.42 N ATOM 124 CA GLU A 12 2.354 19.123 0.699 1.00 74.14 C ATOM 125 C GLU A 12 1.541 19.241 1.986 1.00 72.31 C ATOM 126 O GLU A 12 0.610 20.044 2.075 1.00 64.00 O ATOM 127 CB GLU A 12 1.853 17.936 -0.125 1.00 71.13 C ATOM 128 CG GLU A 12 2.778 17.556 -1.269 1.00 21.50 C ATOM 129 CD GLU A 12 2.141 16.577 -2.235 1.00 14.40 C ATOM 130 OE1 GLU A 12 2.198 15.359 -1.966 1.00 52.41 O ATOM 131 OE2 GLU A 12 1.585 17.027 -3.258 1.00 74.13 O ATOM 0 H GLU A 12 4.163 18.066 0.744 1.00 41.42 H new ATOM 0 HA GLU A 12 2.224 20.038 0.121 1.00 74.14 H new ATOM 0 HB2 GLU A 12 1.729 17.075 0.532 1.00 71.13 H new ATOM 0 HB3 GLU A 12 0.869 18.174 -0.528 1.00 71.13 H new ATOM 0 HG2 GLU A 12 3.069 18.456 -1.810 1.00 21.50 H new ATOM 0 HG3 GLU A 12 3.690 17.119 -0.863 1.00 21.50 H new ATOM 138 N LEU A 13 1.899 18.436 2.980 1.00 62.00 N ATOM 139 CA LEU A 13 1.204 18.449 4.263 1.00 60.23 C ATOM 140 C LEU A 13 1.097 19.869 4.811 1.00 15.13 C ATOM 141 O LEU A 13 0.018 20.312 5.206 1.00 45.14 O ATOM 142 CB LEU A 13 1.933 17.556 5.268 1.00 73.05 C ATOM 143 CG LEU A 13 1.208 17.305 6.592 1.00 33.02 C ATOM 144 CD1 LEU A 13 -0.138 16.639 6.345 1.00 22.52 C ATOM 145 CD2 LEU A 13 2.064 16.453 7.516 1.00 43.20 C ATOM 0 H LEU A 13 2.666 17.766 2.923 1.00 62.00 H new ATOM 0 HA LEU A 13 0.197 18.063 4.107 1.00 60.23 H new ATOM 0 HB2 LEU A 13 2.127 16.593 4.795 1.00 73.05 H new ATOM 0 HB3 LEU A 13 2.902 18.005 5.487 1.00 73.05 H new ATOM 0 HG LEU A 13 1.033 18.266 7.076 1.00 33.02 H new ATOM 0 HD11 LEU A 13 -0.640 16.468 7.298 1.00 22.52 H new ATOM 0 HD12 LEU A 13 -0.755 17.286 5.721 1.00 22.52 H new ATOM 0 HD13 LEU A 13 0.015 15.686 5.839 1.00 22.52 H new ATOM 0 HD21 LEU A 13 1.532 16.285 8.452 1.00 43.20 H new ATOM 0 HD22 LEU A 13 2.271 15.495 7.039 1.00 43.20 H new ATOM 0 HD23 LEU A 13 3.003 16.968 7.719 1.00 43.20 H new ATOM 157 N ASP A 14 2.220 20.577 4.828 1.00 42.12 N ATOM 158 CA ASP A 14 2.253 21.947 5.324 1.00 21.43 C ATOM 159 C ASP A 14 1.221 22.810 4.604 1.00 52.22 C ATOM 160 O ASP A 14 0.320 23.371 5.228 1.00 52.25 O ATOM 161 CB ASP A 14 3.650 22.545 5.144 1.00 12.15 C ATOM 162 CG ASP A 14 4.531 22.333 6.359 1.00 14.31 C ATOM 163 OD1 ASP A 14 4.010 22.417 7.492 1.00 3.20 O ATOM 164 OD2 ASP A 14 5.740 22.083 6.178 1.00 44.34 O ATOM 0 H ASP A 14 3.120 20.224 4.504 1.00 42.12 H new ATOM 0 HA ASP A 14 2.009 21.928 6.386 1.00 21.43 H new ATOM 0 HB2 ASP A 14 4.125 22.096 4.272 1.00 12.15 H new ATOM 0 HB3 ASP A 14 3.562 23.613 4.944 1.00 12.15 H new ATOM 169 N LYS A 15 1.359 22.914 3.286 1.00 52.52 N ATOM 170 CA LYS A 15 0.439 23.707 2.480 1.00 5.13 C ATOM 171 C LYS A 15 -1.009 23.328 2.775 1.00 24.42 C ATOM 172 O LYS A 15 -1.869 24.196 2.920 1.00 71.00 O ATOM 173 CB LYS A 15 0.735 23.512 0.991 1.00 23.44 C ATOM 174 CG LYS A 15 2.137 23.938 0.589 1.00 20.13 C ATOM 175 CD LYS A 15 2.224 24.235 -0.899 1.00 44.12 C ATOM 176 CE LYS A 15 3.669 24.297 -1.371 1.00 64.40 C ATOM 177 NZ LYS A 15 3.887 23.479 -2.596 1.00 41.10 N ATOM 0 H LYS A 15 2.100 22.458 2.754 1.00 52.52 H new ATOM 0 HA LYS A 15 0.581 24.756 2.738 1.00 5.13 H new ATOM 0 HB2 LYS A 15 0.596 22.461 0.736 1.00 23.44 H new ATOM 0 HB3 LYS A 15 0.010 24.080 0.408 1.00 23.44 H new ATOM 0 HG2 LYS A 15 2.426 24.823 1.155 1.00 20.13 H new ATOM 0 HG3 LYS A 15 2.845 23.150 0.846 1.00 20.13 H new ATOM 0 HD2 LYS A 15 1.691 23.465 -1.457 1.00 44.12 H new ATOM 0 HD3 LYS A 15 1.730 25.183 -1.112 1.00 44.12 H new ATOM 0 HE2 LYS A 15 3.941 25.333 -1.573 1.00 64.40 H new ATOM 0 HE3 LYS A 15 4.326 23.944 -0.576 1.00 64.40 H new ATOM 0 HZ1 LYS A 15 4.657 22.800 -2.428 1.00 41.10 H new ATOM 0 HZ2 LYS A 15 3.015 22.963 -2.829 1.00 41.10 H new ATOM 0 HZ3 LYS A 15 4.142 24.102 -3.389 1.00 41.10 H new ATOM 191 N TRP A 16 -1.270 22.029 2.861 1.00 63.42 N ATOM 192 CA TRP A 16 -2.614 21.536 3.141 1.00 42.21 C ATOM 193 C TRP A 16 -3.186 22.195 4.391 1.00 31.25 C ATOM 194 O TRP A 16 -4.298 22.721 4.371 1.00 54.11 O ATOM 195 CB TRP A 16 -2.596 20.017 3.313 1.00 13.15 C ATOM 196 CG TRP A 16 -3.928 19.448 3.697 1.00 1.31 C ATOM 197 CD1 TRP A 16 -4.306 19.008 4.935 1.00 22.25 C ATOM 198 CD2 TRP A 16 -5.058 19.254 2.839 1.00 5.13 C ATOM 199 NE1 TRP A 16 -5.602 18.553 4.897 1.00 21.54 N ATOM 200 CE2 TRP A 16 -6.086 18.694 3.623 1.00 30.02 C ATOM 201 CE3 TRP A 16 -5.301 19.500 1.486 1.00 33.14 C ATOM 202 CZ2 TRP A 16 -7.335 18.378 3.096 1.00 44.11 C ATOM 203 CZ3 TRP A 16 -6.542 19.185 0.963 1.00 62.24 C ATOM 204 CH2 TRP A 16 -7.546 18.629 1.767 1.00 74.23 C ATOM 0 H TRP A 16 -0.569 21.298 2.741 1.00 63.42 H new ATOM 0 HA TRP A 16 -3.252 21.791 2.295 1.00 42.21 H new ATOM 0 HB2 TRP A 16 -2.267 19.557 2.381 1.00 13.15 H new ATOM 0 HB3 TRP A 16 -1.863 19.753 4.075 1.00 13.15 H new ATOM 0 HD1 TRP A 16 -3.678 19.017 5.814 1.00 22.25 H new ATOM 0 HE1 TRP A 16 -6.120 18.172 5.689 1.00 21.54 H new ATOM 0 HE3 TRP A 16 -4.533 19.929 0.859 1.00 33.14 H new ATOM 0 HZ2 TRP A 16 -8.110 17.950 3.714 1.00 44.11 H new ATOM 0 HZ3 TRP A 16 -6.741 19.371 -0.082 1.00 62.24 H new ATOM 0 HH2 TRP A 16 -8.505 18.394 1.330 1.00 74.23 H new ATOM 215 N GLU A 17 -2.419 22.163 5.476 1.00 70.13 N ATOM 216 CA GLU A 17 -2.853 22.758 6.734 1.00 50.42 C ATOM 217 C GLU A 17 -3.095 24.256 6.574 1.00 31.05 C ATOM 218 O GLU A 17 -3.814 24.869 7.363 1.00 14.22 O ATOM 219 CB GLU A 17 -1.808 22.513 7.826 1.00 34.51 C ATOM 220 CG GLU A 17 -1.638 21.048 8.188 1.00 2.12 C ATOM 221 CD GLU A 17 -0.693 20.841 9.355 1.00 24.02 C ATOM 222 OE1 GLU A 17 -1.131 21.020 10.512 1.00 5.13 O ATOM 223 OE2 GLU A 17 0.485 20.501 9.113 1.00 54.32 O ATOM 0 H GLU A 17 -1.495 21.732 5.509 1.00 70.13 H new ATOM 0 HA GLU A 17 -3.791 22.286 7.025 1.00 50.42 H new ATOM 0 HB2 GLU A 17 -0.849 22.910 7.495 1.00 34.51 H new ATOM 0 HB3 GLU A 17 -2.092 23.069 8.720 1.00 34.51 H new ATOM 0 HG2 GLU A 17 -2.611 20.623 8.434 1.00 2.12 H new ATOM 0 HG3 GLU A 17 -1.263 20.505 7.321 1.00 2.12 H new ATOM 230 N LYS A 18 -2.489 24.841 5.546 1.00 44.00 N ATOM 231 CA LYS A 18 -2.637 26.267 5.280 1.00 2.52 C ATOM 232 C LYS A 18 -4.043 26.583 4.779 1.00 52.42 C ATOM 233 O LYS A 18 -4.799 27.298 5.438 1.00 13.35 O ATOM 234 CB LYS A 18 -1.603 26.724 4.249 1.00 63.11 C ATOM 235 CG LYS A 18 -0.828 27.960 4.671 1.00 60.32 C ATOM 236 CD LYS A 18 -1.099 29.133 3.744 1.00 43.33 C ATOM 237 CE LYS A 18 -0.353 30.381 4.191 1.00 15.44 C ATOM 238 NZ LYS A 18 -1.268 31.544 4.356 1.00 54.31 N ATOM 0 H LYS A 18 -1.890 24.349 4.883 1.00 44.00 H new ATOM 0 HA LYS A 18 -2.473 26.805 6.214 1.00 2.52 H new ATOM 0 HB2 LYS A 18 -0.901 25.910 4.066 1.00 63.11 H new ATOM 0 HB3 LYS A 18 -2.109 26.927 3.305 1.00 63.11 H new ATOM 0 HG2 LYS A 18 -1.101 28.231 5.691 1.00 60.32 H new ATOM 0 HG3 LYS A 18 0.239 27.737 4.675 1.00 60.32 H new ATOM 0 HD2 LYS A 18 -0.799 28.873 2.729 1.00 43.33 H new ATOM 0 HD3 LYS A 18 -2.169 29.338 3.718 1.00 43.33 H new ATOM 0 HE2 LYS A 18 0.155 30.182 5.134 1.00 15.44 H new ATOM 0 HE3 LYS A 18 0.417 30.626 3.459 1.00 15.44 H new ATOM 0 HZ1 LYS A 18 -0.722 32.375 4.661 1.00 54.31 H new ATOM 0 HZ2 LYS A 18 -1.734 31.750 3.450 1.00 54.31 H new ATOM 0 HZ3 LYS A 18 -1.988 31.320 5.073 1.00 54.31 H new ATOM 252 N ILE A 19 -4.387 26.044 3.614 1.00 64.24 N ATOM 253 CA ILE A 19 -5.702 26.268 3.028 1.00 61.42 C ATOM 254 C ILE A 19 -6.803 26.100 4.070 1.00 70.40 C ATOM 255 O ILE A 19 -6.708 25.252 4.957 1.00 50.22 O ATOM 256 CB ILE A 19 -5.968 25.304 1.857 1.00 4.42 C ATOM 257 CG1 ILE A 19 -4.851 25.410 0.817 1.00 12.50 C ATOM 258 CG2 ILE A 19 -7.319 25.600 1.224 1.00 0.23 C ATOM 259 CD1 ILE A 19 -4.270 24.071 0.416 1.00 73.34 C ATOM 0 H ILE A 19 -3.773 25.449 3.058 1.00 64.24 H new ATOM 0 HA ILE A 19 -5.711 27.292 2.654 1.00 61.42 H new ATOM 0 HB ILE A 19 -5.985 24.284 2.241 1.00 4.42 H new ATOM 0 HG12 ILE A 19 -5.238 25.910 -0.071 1.00 12.50 H new ATOM 0 HG13 ILE A 19 -4.054 26.039 1.214 1.00 12.50 H new ATOM 0 HG21 ILE A 19 -7.493 24.910 0.398 1.00 0.23 H new ATOM 0 HG22 ILE A 19 -8.105 25.478 1.970 1.00 0.23 H new ATOM 0 HG23 ILE A 19 -7.329 26.624 0.850 1.00 0.23 H new ATOM 0 HD11 ILE A 19 -3.484 24.222 -0.324 1.00 73.34 H new ATOM 0 HD12 ILE A 19 -3.852 23.578 1.294 1.00 73.34 H new ATOM 0 HD13 ILE A 19 -5.055 23.447 -0.011 1.00 73.34 H new ATOM 271 N ARG A 20 -7.848 26.914 3.955 1.00 5.32 N ATOM 272 CA ARG A 20 -8.968 26.856 4.887 1.00 24.15 C ATOM 273 C ARG A 20 -10.253 26.458 4.166 1.00 44.15 C ATOM 274 O ARG A 20 -10.360 26.589 2.947 1.00 4.52 O ATOM 275 CB ARG A 20 -9.154 28.207 5.577 1.00 73.41 C ATOM 276 CG ARG A 20 -8.945 29.397 4.655 1.00 73.51 C ATOM 277 CD ARG A 20 -7.503 29.879 4.685 1.00 44.53 C ATOM 278 NE ARG A 20 -7.348 31.184 4.048 1.00 62.04 N ATOM 279 CZ ARG A 20 -7.787 32.318 4.581 1.00 71.25 C ATOM 280 NH1 ARG A 20 -8.405 32.308 5.754 1.00 72.21 N ATOM 281 NH2 ARG A 20 -7.609 33.467 3.941 1.00 1.34 N ATOM 0 H ARG A 20 -7.942 27.621 3.226 1.00 5.32 H new ATOM 0 HA ARG A 20 -8.745 26.100 5.640 1.00 24.15 H new ATOM 0 HB2 ARG A 20 -10.159 28.256 5.997 1.00 73.41 H new ATOM 0 HB3 ARG A 20 -8.456 28.278 6.411 1.00 73.41 H new ATOM 0 HG2 ARG A 20 -9.216 29.121 3.636 1.00 73.51 H new ATOM 0 HG3 ARG A 20 -9.608 30.210 4.952 1.00 73.51 H new ATOM 0 HD2 ARG A 20 -7.162 29.938 5.719 1.00 44.53 H new ATOM 0 HD3 ARG A 20 -6.867 29.152 4.180 1.00 44.53 H new ATOM 0 HE ARG A 20 -6.877 31.227 3.144 1.00 62.04 H new ATOM 0 HH11 ARG A 20 -8.544 31.427 6.250 1.00 72.21 H new ATOM 0 HH12 ARG A 20 -8.741 33.181 6.161 1.00 72.21 H new ATOM 0 HH21 ARG A 20 -7.134 33.480 3.038 1.00 1.34 H new ATOM 0 HH22 ARG A 20 -7.947 34.337 4.352 1.00 1.34 H new ATOM 295 N LEU A 21 -11.226 25.973 4.930 1.00 72.05 N ATOM 296 CA LEU A 21 -12.505 25.556 4.366 1.00 52.31 C ATOM 297 C LEU A 21 -13.260 26.748 3.788 1.00 53.13 C ATOM 298 O LEU A 21 -13.884 26.648 2.732 1.00 14.05 O ATOM 299 CB LEU A 21 -13.356 24.867 5.434 1.00 71.32 C ATOM 300 CG LEU A 21 -12.687 23.716 6.186 1.00 31.11 C ATOM 301 CD1 LEU A 21 -13.431 23.419 7.479 1.00 62.32 C ATOM 302 CD2 LEU A 21 -12.620 22.473 5.310 1.00 21.44 C ATOM 0 H LEU A 21 -11.154 25.859 5.941 1.00 72.05 H new ATOM 0 HA LEU A 21 -12.305 24.851 3.559 1.00 52.31 H new ATOM 0 HB2 LEU A 21 -13.668 25.617 6.161 1.00 71.32 H new ATOM 0 HB3 LEU A 21 -14.261 24.487 4.960 1.00 71.32 H new ATOM 0 HG LEU A 21 -11.669 24.015 6.437 1.00 31.11 H new ATOM 0 HD11 LEU A 21 -12.940 22.597 8.001 1.00 62.32 H new ATOM 0 HD12 LEU A 21 -13.426 24.305 8.113 1.00 62.32 H new ATOM 0 HD13 LEU A 21 -14.460 23.141 7.251 1.00 62.32 H new ATOM 0 HD21 LEU A 21 -12.141 21.664 5.862 1.00 21.44 H new ATOM 0 HD22 LEU A 21 -13.629 22.172 5.028 1.00 21.44 H new ATOM 0 HD23 LEU A 21 -12.042 22.692 4.412 1.00 21.44 H new ATOM 314 N ARG A 22 -13.199 27.877 4.488 1.00 45.40 N ATOM 315 CA ARG A 22 -13.877 29.089 4.044 1.00 45.41 C ATOM 316 C ARG A 22 -12.879 30.226 3.844 1.00 11.25 C ATOM 317 O ARG A 22 -11.825 30.280 4.477 1.00 31.12 O ATOM 318 CB ARG A 22 -14.941 29.504 5.060 1.00 35.22 C ATOM 319 CG ARG A 22 -16.337 29.009 4.716 1.00 20.41 C ATOM 320 CD ARG A 22 -17.396 30.045 5.058 1.00 21.31 C ATOM 321 NE ARG A 22 -18.748 29.533 4.858 1.00 34.12 N ATOM 322 CZ ARG A 22 -19.824 30.309 4.778 1.00 52.01 C ATOM 323 NH1 ARG A 22 -19.705 31.625 4.881 1.00 74.21 N ATOM 324 NH2 ARG A 22 -21.022 29.767 4.594 1.00 61.44 N ATOM 0 H ARG A 22 -12.687 27.977 5.365 1.00 45.40 H new ATOM 0 HA ARG A 22 -14.359 28.878 3.089 1.00 45.41 H new ATOM 0 HB2 ARG A 22 -14.661 29.123 6.042 1.00 35.22 H new ATOM 0 HB3 ARG A 22 -14.958 30.591 5.132 1.00 35.22 H new ATOM 0 HG2 ARG A 22 -16.388 28.772 3.653 1.00 20.41 H new ATOM 0 HG3 ARG A 22 -16.541 28.086 5.259 1.00 20.41 H new ATOM 0 HD2 ARG A 22 -17.276 30.356 6.096 1.00 21.31 H new ATOM 0 HD3 ARG A 22 -17.249 30.931 4.440 1.00 21.31 H new ATOM 0 HE ARG A 22 -18.874 28.524 4.775 1.00 34.12 H new ATOM 0 HH11 ARG A 22 -18.786 32.044 5.022 1.00 74.21 H new ATOM 0 HH12 ARG A 22 -20.532 32.218 4.819 1.00 74.21 H new ATOM 0 HH21 ARG A 22 -21.117 28.755 4.514 1.00 61.44 H new ATOM 0 HH22 ARG A 22 -21.847 30.363 4.533 1.00 61.44 H new ATOM 338 N PRO A 23 -13.218 31.158 2.939 1.00 53.34 N ATOM 339 CA PRO A 23 -12.366 32.311 2.634 1.00 14.34 C ATOM 340 C PRO A 23 -12.307 33.309 3.785 1.00 43.03 C ATOM 341 O PRO A 23 -11.280 33.947 4.014 1.00 11.41 O ATOM 342 CB PRO A 23 -13.046 32.941 1.415 1.00 51.51 C ATOM 343 CG PRO A 23 -14.472 32.523 1.519 1.00 72.43 C ATOM 344 CD PRO A 23 -14.459 31.157 2.147 1.00 53.41 C ATOM 0 HA PRO A 23 -11.331 32.018 2.459 1.00 14.34 H new ATOM 0 HB2 PRO A 23 -12.950 34.027 1.425 1.00 51.51 H new ATOM 0 HB3 PRO A 23 -12.597 32.590 0.486 1.00 51.51 H new ATOM 0 HG2 PRO A 23 -15.041 33.226 2.127 1.00 72.43 H new ATOM 0 HG3 PRO A 23 -14.943 32.496 0.537 1.00 72.43 H new ATOM 0 HD2 PRO A 23 -15.336 30.995 2.774 1.00 53.41 H new ATOM 0 HD3 PRO A 23 -14.455 30.369 1.394 1.00 53.41 H new ATOM 352 N GLY A 24 -13.415 33.439 4.508 1.00 54.14 N ATOM 353 CA GLY A 24 -13.467 34.361 5.628 1.00 14.13 C ATOM 354 C GLY A 24 -13.638 33.651 6.956 1.00 53.13 C ATOM 355 O GLY A 24 -14.247 34.187 7.881 1.00 31.25 O ATOM 0 H GLY A 24 -14.278 32.922 4.338 1.00 54.14 H new ATOM 0 HA2 GLY A 24 -12.551 34.952 5.651 1.00 14.13 H new ATOM 0 HA3 GLY A 24 -14.293 35.058 5.483 1.00 14.13 H new ATOM 359 N GLY A 25 -13.099 32.439 7.051 1.00 14.54 N ATOM 360 CA GLY A 25 -13.208 31.674 8.279 1.00 53.22 C ATOM 361 C GLY A 25 -11.877 31.526 8.990 1.00 32.31 C ATOM 362 O GLY A 25 -10.887 32.146 8.604 1.00 2.14 O ATOM 0 H GLY A 25 -12.589 31.974 6.300 1.00 14.54 H new ATOM 0 HA2 GLY A 25 -13.920 32.161 8.945 1.00 53.22 H new ATOM 0 HA3 GLY A 25 -13.608 30.685 8.053 1.00 53.22 H new ATOM 366 N LYS A 26 -11.854 30.703 10.033 1.00 4.22 N ATOM 367 CA LYS A 26 -10.635 30.474 10.800 1.00 62.30 C ATOM 368 C LYS A 26 -10.309 28.987 10.874 1.00 3.30 C ATOM 369 O LYS A 26 -9.298 28.590 11.455 1.00 55.31 O ATOM 370 CB LYS A 26 -10.782 31.047 12.212 1.00 12.53 C ATOM 371 CG LYS A 26 -9.504 31.661 12.755 1.00 33.54 C ATOM 372 CD LYS A 26 -9.360 31.420 14.248 1.00 34.41 C ATOM 373 CE LYS A 26 -8.290 32.315 14.856 1.00 42.25 C ATOM 374 NZ LYS A 26 -8.598 32.665 16.270 1.00 51.34 N ATOM 0 H LYS A 26 -12.666 30.183 10.367 1.00 4.22 H new ATOM 0 HA LYS A 26 -9.815 30.981 10.292 1.00 62.30 H new ATOM 0 HB2 LYS A 26 -11.566 31.804 12.208 1.00 12.53 H new ATOM 0 HB3 LYS A 26 -11.109 30.254 12.885 1.00 12.53 H new ATOM 0 HG2 LYS A 26 -8.646 31.238 12.233 1.00 33.54 H new ATOM 0 HG3 LYS A 26 -9.501 32.733 12.557 1.00 33.54 H new ATOM 0 HD2 LYS A 26 -10.314 31.605 14.741 1.00 34.41 H new ATOM 0 HD3 LYS A 26 -9.106 30.375 14.426 1.00 34.41 H new ATOM 0 HE2 LYS A 26 -7.325 31.811 14.809 1.00 42.25 H new ATOM 0 HE3 LYS A 26 -8.202 33.228 14.267 1.00 42.25 H new ATOM 0 HZ1 LYS A 26 -7.846 33.275 16.648 1.00 51.34 H new ATOM 0 HZ2 LYS A 26 -9.507 33.169 16.313 1.00 51.34 H new ATOM 0 HZ3 LYS A 26 -8.657 31.796 16.838 1.00 51.34 H new ATOM 388 N LYS A 27 -11.171 28.167 10.281 1.00 4.31 N ATOM 389 CA LYS A 27 -10.973 26.722 10.278 1.00 12.35 C ATOM 390 C LYS A 27 -10.110 26.294 9.096 1.00 1.23 C ATOM 391 O LYS A 27 -10.549 26.337 7.947 1.00 74.40 O ATOM 392 CB LYS A 27 -12.323 26.003 10.223 1.00 72.11 C ATOM 393 CG LYS A 27 -12.287 24.596 10.794 1.00 73.03 C ATOM 394 CD LYS A 27 -13.686 24.036 10.987 1.00 1.01 C ATOM 395 CE LYS A 27 -13.679 22.515 11.010 1.00 72.23 C ATOM 396 NZ LYS A 27 -14.867 21.966 11.720 1.00 0.44 N ATOM 0 H LYS A 27 -12.013 28.478 9.797 1.00 4.31 H new ATOM 0 HA LYS A 27 -10.459 26.448 11.199 1.00 12.35 H new ATOM 0 HB2 LYS A 27 -13.060 26.590 10.771 1.00 72.11 H new ATOM 0 HB3 LYS A 27 -12.659 25.957 9.187 1.00 72.11 H new ATOM 0 HG2 LYS A 27 -11.723 23.946 10.126 1.00 73.03 H new ATOM 0 HG3 LYS A 27 -11.762 24.603 11.749 1.00 73.03 H new ATOM 0 HD2 LYS A 27 -14.105 24.413 11.920 1.00 1.01 H new ATOM 0 HD3 LYS A 27 -14.333 24.386 10.183 1.00 1.01 H new ATOM 0 HE2 LYS A 27 -13.660 22.136 9.988 1.00 72.23 H new ATOM 0 HE3 LYS A 27 -12.770 22.163 11.498 1.00 72.23 H new ATOM 0 HZ1 LYS A 27 -14.825 20.927 11.714 1.00 0.44 H new ATOM 0 HZ2 LYS A 27 -14.872 22.307 12.703 1.00 0.44 H new ATOM 0 HZ3 LYS A 27 -15.734 22.280 11.240 1.00 0.44 H new ATOM 410 N GLN A 28 -8.881 25.879 9.386 1.00 70.01 N ATOM 411 CA GLN A 28 -7.957 25.443 8.346 1.00 1.32 C ATOM 412 C GLN A 28 -8.176 23.972 8.005 1.00 44.24 C ATOM 413 O GLN A 28 -8.970 23.288 8.649 1.00 53.44 O ATOM 414 CB GLN A 28 -6.511 25.664 8.793 1.00 24.31 C ATOM 415 CG GLN A 28 -6.293 26.985 9.515 1.00 3.03 C ATOM 416 CD GLN A 28 -6.050 26.805 11.000 1.00 71.14 C ATOM 417 OE1 GLN A 28 -5.211 26.002 11.411 1.00 13.41 O ATOM 418 NE2 GLN A 28 -6.783 27.553 11.815 1.00 72.54 N ATOM 0 H GLN A 28 -8.502 25.836 10.332 1.00 70.01 H new ATOM 0 HA GLN A 28 -8.149 26.037 7.453 1.00 1.32 H new ATOM 0 HB2 GLN A 28 -6.214 24.847 9.450 1.00 24.31 H new ATOM 0 HB3 GLN A 28 -5.859 25.625 7.920 1.00 24.31 H new ATOM 0 HG2 GLN A 28 -5.442 27.501 9.071 1.00 3.03 H new ATOM 0 HG3 GLN A 28 -7.164 27.623 9.368 1.00 3.03 H new ATOM 0 HE21 GLN A 28 -7.467 28.206 11.432 1.00 72.54 H new ATOM 0 HE22 GLN A 28 -6.663 27.475 12.825 1.00 72.54 H new ATOM 427 N TYR A 29 -7.468 23.493 6.988 1.00 64.44 N ATOM 428 CA TYR A 29 -7.586 22.105 6.560 1.00 55.02 C ATOM 429 C TYR A 29 -6.747 21.189 7.445 1.00 3.54 C ATOM 430 O TYR A 29 -5.655 21.554 7.879 1.00 44.40 O ATOM 431 CB TYR A 29 -7.154 21.961 5.101 1.00 11.24 C ATOM 432 CG TYR A 29 -8.309 21.934 4.126 1.00 10.20 C ATOM 433 CD1 TYR A 29 -9.149 20.830 4.045 1.00 15.50 C ATOM 434 CD2 TYR A 29 -8.561 23.010 3.285 1.00 60.23 C ATOM 435 CE1 TYR A 29 -10.206 20.800 3.156 1.00 31.10 C ATOM 436 CE2 TYR A 29 -9.616 22.990 2.395 1.00 21.23 C ATOM 437 CZ TYR A 29 -10.436 21.882 2.333 1.00 21.30 C ATOM 438 OH TYR A 29 -11.487 21.858 1.446 1.00 10.31 O ATOM 0 H TYR A 29 -6.806 24.047 6.444 1.00 64.44 H new ATOM 0 HA TYR A 29 -8.631 21.810 6.652 1.00 55.02 H new ATOM 0 HB2 TYR A 29 -6.492 22.788 4.844 1.00 11.24 H new ATOM 0 HB3 TYR A 29 -6.576 21.044 4.991 1.00 11.24 H new ATOM 0 HD1 TYR A 29 -8.972 19.981 4.688 1.00 15.50 H new ATOM 0 HD2 TYR A 29 -7.920 23.878 3.328 1.00 60.23 H new ATOM 0 HE1 TYR A 29 -10.849 19.934 3.106 1.00 31.10 H new ATOM 0 HE2 TYR A 29 -9.799 23.837 1.751 1.00 21.23 H new ATOM 0 HH TYR A 29 -11.799 22.773 1.283 1.00 10.31 H new ATOM 448 N LYS A 30 -7.265 19.993 7.707 1.00 40.11 N ATOM 449 CA LYS A 30 -6.566 19.020 8.537 1.00 23.31 C ATOM 450 C LYS A 30 -6.698 17.616 7.959 1.00 52.33 C ATOM 451 O LYS A 30 -7.489 17.381 7.044 1.00 34.33 O ATOM 452 CB LYS A 30 -7.114 19.050 9.965 1.00 42.24 C ATOM 453 CG LYS A 30 -6.329 19.954 10.900 1.00 54.12 C ATOM 454 CD LYS A 30 -5.292 19.174 11.690 1.00 14.50 C ATOM 455 CE LYS A 30 -5.166 19.695 13.114 1.00 20.23 C ATOM 456 NZ LYS A 30 -3.970 20.567 13.280 1.00 5.13 N ATOM 0 H LYS A 30 -8.168 19.675 7.355 1.00 40.11 H new ATOM 0 HA LYS A 30 -5.509 19.287 8.554 1.00 23.31 H new ATOM 0 HB2 LYS A 30 -8.152 19.381 9.940 1.00 42.24 H new ATOM 0 HB3 LYS A 30 -7.113 18.037 10.367 1.00 42.24 H new ATOM 0 HG2 LYS A 30 -5.835 20.736 10.322 1.00 54.12 H new ATOM 0 HG3 LYS A 30 -7.014 20.450 11.588 1.00 54.12 H new ATOM 0 HD2 LYS A 30 -5.567 18.119 11.711 1.00 14.50 H new ATOM 0 HD3 LYS A 30 -4.326 19.242 11.190 1.00 14.50 H new ATOM 0 HE2 LYS A 30 -6.063 20.255 13.377 1.00 20.23 H new ATOM 0 HE3 LYS A 30 -5.101 18.854 13.804 1.00 20.23 H new ATOM 0 HZ1 LYS A 30 -3.919 20.902 14.263 1.00 5.13 H new ATOM 0 HZ2 LYS A 30 -3.111 20.026 13.053 1.00 5.13 H new ATOM 0 HZ3 LYS A 30 -4.044 21.383 12.639 1.00 5.13 H new ATOM 470 N LEU A 31 -5.921 16.683 8.498 1.00 10.22 N ATOM 471 CA LEU A 31 -5.954 15.299 8.037 1.00 21.11 C ATOM 472 C LEU A 31 -7.383 14.767 8.009 1.00 74.02 C ATOM 473 O LEU A 31 -7.759 14.012 7.114 1.00 44.40 O ATOM 474 CB LEU A 31 -5.087 14.419 8.939 1.00 53.24 C ATOM 475 CG LEU A 31 -3.660 14.160 8.454 1.00 32.33 C ATOM 476 CD1 LEU A 31 -3.673 13.383 7.147 1.00 52.33 C ATOM 477 CD2 LEU A 31 -2.906 15.471 8.289 1.00 35.45 C ATOM 0 H LEU A 31 -5.260 16.860 9.255 1.00 10.22 H new ATOM 0 HA LEU A 31 -5.557 15.271 7.022 1.00 21.11 H new ATOM 0 HB2 LEU A 31 -5.036 14.883 9.924 1.00 53.24 H new ATOM 0 HB3 LEU A 31 -5.587 13.458 9.064 1.00 53.24 H new ATOM 0 HG LEU A 31 -3.146 13.560 9.205 1.00 32.33 H new ATOM 0 HD11 LEU A 31 -2.649 13.208 6.817 1.00 52.33 H new ATOM 0 HD12 LEU A 31 -4.174 12.427 7.297 1.00 52.33 H new ATOM 0 HD13 LEU A 31 -4.205 13.956 6.388 1.00 52.33 H new ATOM 0 HD21 LEU A 31 -1.893 15.267 7.943 1.00 35.45 H new ATOM 0 HD22 LEU A 31 -3.419 16.097 7.559 1.00 35.45 H new ATOM 0 HD23 LEU A 31 -2.865 15.990 9.247 1.00 35.45 H new ATOM 489 N LYS A 32 -8.177 15.169 8.996 1.00 0.40 N ATOM 490 CA LYS A 32 -9.567 14.736 9.086 1.00 23.14 C ATOM 491 C LYS A 32 -10.270 14.888 7.741 1.00 31.34 C ATOM 492 O LYS A 32 -10.891 13.947 7.243 1.00 60.03 O ATOM 493 CB LYS A 32 -10.306 15.543 10.154 1.00 73.43 C ATOM 494 CG LYS A 32 -10.252 14.917 11.537 1.00 3.24 C ATOM 495 CD LYS A 32 -11.643 14.610 12.065 1.00 61.51 C ATOM 496 CE LYS A 32 -11.604 13.552 13.157 1.00 22.55 C ATOM 497 NZ LYS A 32 -12.954 12.986 13.429 1.00 73.53 N ATOM 0 H LYS A 32 -7.881 15.795 9.745 1.00 0.40 H new ATOM 0 HA LYS A 32 -9.577 13.682 9.365 1.00 23.14 H new ATOM 0 HB2 LYS A 32 -9.878 16.545 10.201 1.00 73.43 H new ATOM 0 HB3 LYS A 32 -11.348 15.655 9.856 1.00 73.43 H new ATOM 0 HG2 LYS A 32 -9.665 13.999 11.499 1.00 3.24 H new ATOM 0 HG3 LYS A 32 -9.742 15.593 12.224 1.00 3.24 H new ATOM 0 HD2 LYS A 32 -12.094 15.522 12.456 1.00 61.51 H new ATOM 0 HD3 LYS A 32 -12.276 14.267 11.247 1.00 61.51 H new ATOM 0 HE2 LYS A 32 -10.927 12.750 12.862 1.00 22.55 H new ATOM 0 HE3 LYS A 32 -11.202 13.988 14.071 1.00 22.55 H new ATOM 0 HZ1 LYS A 32 -12.885 12.269 14.179 1.00 73.53 H new ATOM 0 HZ2 LYS A 32 -13.594 13.746 13.735 1.00 73.53 H new ATOM 0 HZ3 LYS A 32 -13.327 12.547 12.563 1.00 73.53 H new ATOM 511 N HIS A 33 -10.170 16.078 7.156 1.00 10.32 N ATOM 512 CA HIS A 33 -10.796 16.352 5.867 1.00 40.21 C ATOM 513 C HIS A 33 -10.264 15.407 4.794 1.00 14.43 C ATOM 514 O HIS A 33 -11.037 15.083 3.891 1.00 71.23 O ATOM 515 CB HIS A 33 -10.546 17.803 5.453 1.00 61.34 C ATOM 516 CG HIS A 33 -10.883 18.797 6.522 1.00 13.32 C ATOM 517 ND1 HIS A 33 -10.033 19.815 6.898 1.00 44.01 N ATOM 518 CD2 HIS A 33 -11.987 18.926 7.295 1.00 44.25 C ATOM 519 CE1 HIS A 33 -10.598 20.526 7.857 1.00 54.14 C ATOM 520 NE2 HIS A 33 -11.785 20.006 8.116 1.00 63.24 N ATOM 0 H HIS A 33 -9.662 16.868 7.554 1.00 10.32 H new ATOM 0 HA HIS A 33 -11.869 16.191 5.970 1.00 40.21 H new ATOM 0 HB2 HIS A 33 -9.497 17.918 5.178 1.00 61.34 H new ATOM 0 HB3 HIS A 33 -11.135 18.025 4.563 1.00 61.34 H new ATOM 0 HD2 HIS A 33 -12.864 18.296 7.270 1.00 44.25 H new ATOM 0 HE1 HIS A 33 -10.164 21.386 8.346 1.00 54.14 H new ATOM 0 HE2 HIS A 33 -12.444 20.352 8.813 1.00 63.24 H new ATOM 528 N ILE A 34 -9.011 14.971 4.864 1.00 42.43 N ATOM 529 CA ILE A 34 -8.460 14.065 3.863 1.00 32.03 C ATOM 530 C ILE A 34 -9.006 12.652 4.039 1.00 25.21 C ATOM 531 O ILE A 34 -9.778 12.166 3.213 1.00 54.03 O ATOM 532 CB ILE A 34 -6.922 14.022 3.929 1.00 23.21 C ATOM 533 CG1 ILE A 34 -6.349 15.441 3.911 1.00 4.41 C ATOM 534 CG2 ILE A 34 -6.366 13.205 2.771 1.00 64.22 C ATOM 535 CD1 ILE A 34 -4.851 15.489 4.115 1.00 1.14 C ATOM 0 H ILE A 34 -8.358 15.230 5.603 1.00 42.43 H new ATOM 0 HA ILE A 34 -8.763 14.449 2.889 1.00 32.03 H new ATOM 0 HB ILE A 34 -6.625 13.543 4.862 1.00 23.21 H new ATOM 0 HG12 ILE A 34 -6.593 15.911 2.958 1.00 4.41 H new ATOM 0 HG13 ILE A 34 -6.833 16.030 4.690 1.00 4.41 H new ATOM 0 HG21 ILE A 34 -5.278 13.183 2.830 1.00 64.22 H new ATOM 0 HG22 ILE A 34 -6.753 12.187 2.825 1.00 64.22 H new ATOM 0 HG23 ILE A 34 -6.669 13.659 1.827 1.00 64.22 H new ATOM 0 HD11 ILE A 34 -4.513 16.525 4.091 1.00 1.14 H new ATOM 0 HD12 ILE A 34 -4.601 15.048 5.080 1.00 1.14 H new ATOM 0 HD13 ILE A 34 -4.358 14.928 3.321 1.00 1.14 H new ATOM 547 N VAL A 35 -8.600 11.999 5.123 1.00 55.14 N ATOM 548 CA VAL A 35 -9.050 10.642 5.411 1.00 0.05 C ATOM 549 C VAL A 35 -10.562 10.521 5.257 1.00 54.21 C ATOM 550 O VAL A 35 -11.072 9.486 4.828 1.00 5.21 O ATOM 551 CB VAL A 35 -8.654 10.209 6.835 1.00 24.31 C ATOM 552 CG1 VAL A 35 -9.200 8.824 7.144 1.00 11.50 C ATOM 553 CG2 VAL A 35 -7.142 10.243 6.999 1.00 64.24 C ATOM 0 H VAL A 35 -7.960 12.387 5.816 1.00 55.14 H new ATOM 0 HA VAL A 35 -8.560 9.987 4.691 1.00 0.05 H new ATOM 0 HB VAL A 35 -9.091 10.912 7.545 1.00 24.31 H new ATOM 0 HG11 VAL A 35 -8.910 8.536 8.154 1.00 11.50 H new ATOM 0 HG12 VAL A 35 -10.287 8.836 7.068 1.00 11.50 H new ATOM 0 HG13 VAL A 35 -8.795 8.106 6.431 1.00 11.50 H new ATOM 0 HG21 VAL A 35 -6.879 9.934 8.011 1.00 64.24 H new ATOM 0 HG22 VAL A 35 -6.683 9.563 6.281 1.00 64.24 H new ATOM 0 HG23 VAL A 35 -6.780 11.256 6.823 1.00 64.24 H new ATOM 563 N TRP A 36 -11.274 11.584 5.612 1.00 31.24 N ATOM 564 CA TRP A 36 -12.729 11.597 5.512 1.00 54.20 C ATOM 565 C TRP A 36 -13.181 11.291 4.089 1.00 22.01 C ATOM 566 O TRP A 36 -13.937 10.349 3.856 1.00 44.24 O ATOM 567 CB TRP A 36 -13.279 12.954 5.955 1.00 50.51 C ATOM 568 CG TRP A 36 -14.763 13.078 5.783 1.00 25.11 C ATOM 569 CD1 TRP A 36 -15.724 12.753 6.697 1.00 42.50 C ATOM 570 CD2 TRP A 36 -15.454 13.560 4.626 1.00 30.41 C ATOM 571 NE1 TRP A 36 -16.971 13.004 6.177 1.00 45.55 N ATOM 572 CE2 TRP A 36 -16.833 13.501 4.909 1.00 0.33 C ATOM 573 CE3 TRP A 36 -15.043 14.040 3.378 1.00 42.44 C ATOM 574 CZ2 TRP A 36 -17.799 13.900 3.989 1.00 3.10 C ATOM 575 CZ3 TRP A 36 -16.003 14.435 2.467 1.00 55.24 C ATOM 576 CH2 TRP A 36 -17.368 14.365 2.777 1.00 2.52 C ATOM 0 H TRP A 36 -10.868 12.448 5.972 1.00 31.24 H new ATOM 0 HA TRP A 36 -13.120 10.822 6.171 1.00 54.20 H new ATOM 0 HB2 TRP A 36 -13.027 13.116 7.003 1.00 50.51 H new ATOM 0 HB3 TRP A 36 -12.787 13.741 5.384 1.00 50.51 H new ATOM 0 HD1 TRP A 36 -15.532 12.357 7.683 1.00 42.50 H new ATOM 0 HE1 TRP A 36 -17.856 12.846 6.658 1.00 45.55 H new ATOM 0 HE3 TRP A 36 -13.993 14.101 3.131 1.00 42.44 H new ATOM 0 HZ2 TRP A 36 -18.852 13.844 4.224 1.00 3.10 H new ATOM 0 HZ3 TRP A 36 -15.697 14.804 1.499 1.00 55.24 H new ATOM 0 HH2 TRP A 36 -18.094 14.685 2.044 1.00 2.52 H new ATOM 587 N ALA A 37 -12.713 12.094 3.139 1.00 4.05 N ATOM 588 CA ALA A 37 -13.067 11.907 1.737 1.00 41.45 C ATOM 589 C ALA A 37 -12.537 10.577 1.209 1.00 62.32 C ATOM 590 O ALA A 37 -13.210 9.893 0.439 1.00 25.13 O ATOM 591 CB ALA A 37 -12.533 13.059 0.899 1.00 63.35 C ATOM 0 H ALA A 37 -12.088 12.880 3.315 1.00 4.05 H new ATOM 0 HA ALA A 37 -14.154 11.891 1.662 1.00 41.45 H new ATOM 0 HB1 ALA A 37 -12.805 12.906 -0.145 1.00 63.35 H new ATOM 0 HB2 ALA A 37 -12.963 13.996 1.252 1.00 63.35 H new ATOM 0 HB3 ALA A 37 -11.448 13.102 0.989 1.00 63.35 H new ATOM 597 N SER A 38 -11.328 10.219 1.630 1.00 14.24 N ATOM 598 CA SER A 38 -10.706 8.973 1.195 1.00 74.04 C ATOM 599 C SER A 38 -11.551 7.772 1.610 1.00 2.24 C ATOM 600 O SER A 38 -11.457 6.697 1.016 1.00 24.34 O ATOM 601 CB SER A 38 -9.299 8.848 1.782 1.00 73.43 C ATOM 602 OG SER A 38 -9.325 8.183 3.034 1.00 34.43 O ATOM 0 H SER A 38 -10.760 10.773 2.271 1.00 14.24 H new ATOM 0 HA SER A 38 -10.637 8.990 0.107 1.00 74.04 H new ATOM 0 HB2 SER A 38 -8.660 8.300 1.089 1.00 73.43 H new ATOM 0 HB3 SER A 38 -8.863 9.840 1.902 1.00 73.43 H new ATOM 0 HG SER A 38 -9.959 8.633 3.630 1.00 34.43 H new ATOM 608 N ARG A 39 -12.376 7.961 2.634 1.00 71.20 N ATOM 609 CA ARG A 39 -13.237 6.894 3.129 1.00 54.03 C ATOM 610 C ARG A 39 -14.578 6.895 2.402 1.00 72.15 C ATOM 611 O ARG A 39 -15.259 5.872 2.336 1.00 71.11 O ATOM 612 CB ARG A 39 -13.461 7.049 4.636 1.00 14.44 C ATOM 613 CG ARG A 39 -13.985 5.788 5.305 1.00 64.01 C ATOM 614 CD ARG A 39 -14.417 6.058 6.738 1.00 30.22 C ATOM 615 NE ARG A 39 -14.230 4.891 7.595 1.00 65.21 N ATOM 616 CZ ARG A 39 -14.537 4.871 8.888 1.00 63.31 C ATOM 617 NH1 ARG A 39 -15.042 5.951 9.469 1.00 12.40 N ATOM 618 NH2 ARG A 39 -14.337 3.771 9.602 1.00 2.32 N ATOM 0 H ARG A 39 -12.466 8.844 3.137 1.00 71.20 H new ATOM 0 HA ARG A 39 -12.741 5.943 2.937 1.00 54.03 H new ATOM 0 HB2 ARG A 39 -12.521 7.337 5.107 1.00 14.44 H new ATOM 0 HB3 ARG A 39 -14.166 7.862 4.809 1.00 14.44 H new ATOM 0 HG2 ARG A 39 -14.829 5.397 4.737 1.00 64.01 H new ATOM 0 HG3 ARG A 39 -13.211 5.021 5.295 1.00 64.01 H new ATOM 0 HD2 ARG A 39 -13.846 6.896 7.137 1.00 30.22 H new ATOM 0 HD3 ARG A 39 -15.466 6.353 6.751 1.00 30.22 H new ATOM 0 HE ARG A 39 -13.842 4.044 7.179 1.00 65.21 H new ATOM 0 HH11 ARG A 39 -15.195 6.799 8.923 1.00 12.40 H new ATOM 0 HH12 ARG A 39 -15.277 5.934 10.461 1.00 12.40 H new ATOM 0 HH21 ARG A 39 -13.947 2.939 9.159 1.00 2.32 H new ATOM 0 HH22 ARG A 39 -14.573 3.757 10.594 1.00 2.32 H new ATOM 632 N GLU A 40 -14.950 8.050 1.859 1.00 53.10 N ATOM 633 CA GLU A 40 -16.211 8.183 1.138 1.00 12.12 C ATOM 634 C GLU A 40 -16.067 7.702 -0.303 1.00 62.44 C ATOM 635 O GLU A 40 -17.020 7.203 -0.901 1.00 51.31 O ATOM 636 CB GLU A 40 -16.683 9.638 1.157 1.00 32.13 C ATOM 637 CG GLU A 40 -18.174 9.798 0.904 1.00 65.12 C ATOM 638 CD GLU A 40 -18.906 10.393 2.090 1.00 71.23 C ATOM 639 OE1 GLU A 40 -18.557 11.520 2.498 1.00 72.45 O ATOM 640 OE2 GLU A 40 -19.828 9.731 2.610 1.00 34.42 O ATOM 0 H GLU A 40 -14.397 8.906 1.904 1.00 53.10 H new ATOM 0 HA GLU A 40 -16.954 7.561 1.638 1.00 12.12 H new ATOM 0 HB2 GLU A 40 -16.438 10.078 2.124 1.00 32.13 H new ATOM 0 HB3 GLU A 40 -16.133 10.200 0.402 1.00 32.13 H new ATOM 0 HG2 GLU A 40 -18.325 10.435 0.032 1.00 65.12 H new ATOM 0 HG3 GLU A 40 -18.605 8.825 0.667 1.00 65.12 H new ATOM 647 N LEU A 41 -14.868 7.857 -0.855 1.00 70.23 N ATOM 648 CA LEU A 41 -14.598 7.440 -2.226 1.00 21.24 C ATOM 649 C LEU A 41 -14.688 5.923 -2.361 1.00 25.33 C ATOM 650 O LEU A 41 -15.229 5.409 -3.340 1.00 23.40 O ATOM 651 CB LEU A 41 -13.213 7.921 -2.664 1.00 72.25 C ATOM 652 CG LEU A 41 -12.987 9.433 -2.628 1.00 40.23 C ATOM 653 CD1 LEU A 41 -11.520 9.747 -2.375 1.00 62.42 C ATOM 654 CD2 LEU A 41 -13.454 10.073 -3.928 1.00 50.34 C ATOM 0 H LEU A 41 -14.068 8.268 -0.374 1.00 70.23 H new ATOM 0 HA LEU A 41 -15.352 7.890 -2.871 1.00 21.24 H new ATOM 0 HB2 LEU A 41 -12.467 7.447 -2.026 1.00 72.25 H new ATOM 0 HB3 LEU A 41 -13.033 7.571 -3.680 1.00 72.25 H new ATOM 0 HG LEU A 41 -13.574 9.850 -1.809 1.00 40.23 H new ATOM 0 HD11 LEU A 41 -11.378 10.827 -2.353 1.00 62.42 H new ATOM 0 HD12 LEU A 41 -11.216 9.321 -1.419 1.00 62.42 H new ATOM 0 HD13 LEU A 41 -10.913 9.318 -3.172 1.00 62.42 H new ATOM 0 HD21 LEU A 41 -13.286 11.149 -3.885 1.00 50.34 H new ATOM 0 HD22 LEU A 41 -12.894 9.651 -4.763 1.00 50.34 H new ATOM 0 HD23 LEU A 41 -14.517 9.877 -4.068 1.00 50.34 H new ATOM 666 N GLU A 42 -14.155 5.214 -1.372 1.00 3.32 N ATOM 667 CA GLU A 42 -14.177 3.755 -1.381 1.00 62.04 C ATOM 668 C GLU A 42 -15.610 3.232 -1.349 1.00 23.23 C ATOM 669 O GLU A 42 -15.870 2.084 -1.708 1.00 71.22 O ATOM 670 CB GLU A 42 -13.394 3.204 -0.186 1.00 12.33 C ATOM 671 CG GLU A 42 -13.220 1.696 -0.217 1.00 51.50 C ATOM 672 CD GLU A 42 -12.543 1.161 1.029 1.00 40.13 C ATOM 673 OE1 GLU A 42 -13.129 1.288 2.125 1.00 1.25 O ATOM 674 OE2 GLU A 42 -11.425 0.615 0.910 1.00 11.35 O ATOM 0 H GLU A 42 -13.703 5.625 -0.555 1.00 3.32 H new ATOM 0 HA GLU A 42 -13.706 3.416 -2.303 1.00 62.04 H new ATOM 0 HB2 GLU A 42 -12.411 3.674 -0.158 1.00 12.33 H new ATOM 0 HB3 GLU A 42 -13.907 3.483 0.734 1.00 12.33 H new ATOM 0 HG2 GLU A 42 -14.196 1.224 -0.327 1.00 51.50 H new ATOM 0 HG3 GLU A 42 -12.632 1.420 -1.092 1.00 51.50 H new ATOM 681 N ARG A 43 -16.534 4.083 -0.917 1.00 50.04 N ATOM 682 CA ARG A 43 -17.940 3.707 -0.835 1.00 35.45 C ATOM 683 C ARG A 43 -18.728 4.295 -2.003 1.00 50.22 C ATOM 684 O ARG A 43 -19.769 3.765 -2.392 1.00 4.43 O ATOM 685 CB ARG A 43 -18.542 4.180 0.489 1.00 24.20 C ATOM 686 CG ARG A 43 -18.273 3.237 1.651 1.00 14.20 C ATOM 687 CD ARG A 43 -19.084 3.621 2.879 1.00 20.44 C ATOM 688 NE ARG A 43 -18.803 2.749 4.015 1.00 44.45 N ATOM 689 CZ ARG A 43 -19.198 3.008 5.257 1.00 24.14 C ATOM 690 NH1 ARG A 43 -19.888 4.109 5.520 1.00 74.02 N ATOM 691 NH2 ARG A 43 -18.903 2.165 6.238 1.00 32.10 N ATOM 0 H ARG A 43 -16.334 5.038 -0.618 1.00 50.04 H new ATOM 0 HA ARG A 43 -18.003 2.620 -0.886 1.00 35.45 H new ATOM 0 HB2 ARG A 43 -18.140 5.164 0.730 1.00 24.20 H new ATOM 0 HB3 ARG A 43 -19.619 4.296 0.368 1.00 24.20 H new ATOM 0 HG2 ARG A 43 -18.517 2.216 1.357 1.00 14.20 H new ATOM 0 HG3 ARG A 43 -17.211 3.253 1.895 1.00 14.20 H new ATOM 0 HD2 ARG A 43 -18.863 4.653 3.151 1.00 20.44 H new ATOM 0 HD3 ARG A 43 -20.147 3.575 2.641 1.00 20.44 H new ATOM 0 HE ARG A 43 -18.274 1.893 3.846 1.00 44.45 H new ATOM 0 HH11 ARG A 43 -20.117 4.759 4.768 1.00 74.02 H new ATOM 0 HH12 ARG A 43 -20.190 4.306 6.474 1.00 74.02 H new ATOM 0 HH21 ARG A 43 -18.372 1.317 6.039 1.00 32.10 H new ATOM 0 HH22 ARG A 43 -19.207 2.365 7.191 1.00 32.10 H new ATOM 705 N PHE A 44 -18.225 5.393 -2.555 1.00 21.45 N ATOM 706 CA PHE A 44 -18.882 6.055 -3.677 1.00 54.21 C ATOM 707 C PHE A 44 -18.713 5.246 -4.960 1.00 33.03 C ATOM 708 O PHE A 44 -19.691 4.794 -5.554 1.00 11.24 O ATOM 709 CB PHE A 44 -18.316 7.463 -3.869 1.00 2.24 C ATOM 710 CG PHE A 44 -19.262 8.553 -3.453 1.00 11.22 C ATOM 711 CD1 PHE A 44 -19.935 8.479 -2.244 1.00 11.32 C ATOM 712 CD2 PHE A 44 -19.478 9.649 -4.271 1.00 72.24 C ATOM 713 CE1 PHE A 44 -20.806 9.480 -1.858 1.00 62.02 C ATOM 714 CE2 PHE A 44 -20.348 10.654 -3.889 1.00 13.23 C ATOM 715 CZ PHE A 44 -21.014 10.569 -2.682 1.00 1.51 C ATOM 0 H PHE A 44 -17.364 5.844 -2.244 1.00 21.45 H new ATOM 0 HA PHE A 44 -19.946 6.127 -3.452 1.00 54.21 H new ATOM 0 HB2 PHE A 44 -17.393 7.556 -3.296 1.00 2.24 H new ATOM 0 HB3 PHE A 44 -18.055 7.601 -4.918 1.00 2.24 H new ATOM 0 HD1 PHE A 44 -19.777 7.629 -1.596 1.00 11.32 H new ATOM 0 HD2 PHE A 44 -18.962 9.720 -5.217 1.00 72.24 H new ATOM 0 HE1 PHE A 44 -21.324 9.411 -0.913 1.00 62.02 H new ATOM 0 HE2 PHE A 44 -20.507 11.505 -4.534 1.00 13.23 H new ATOM 0 HZ PHE A 44 -21.695 11.352 -2.383 1.00 1.51 H new ATOM 725 N ALA A 45 -17.465 5.070 -5.381 1.00 72.13 N ATOM 726 CA ALA A 45 -17.167 4.315 -6.592 1.00 23.43 C ATOM 727 C ALA A 45 -15.726 4.540 -7.038 1.00 61.40 C ATOM 728 O ALA A 45 -15.276 3.968 -8.031 1.00 53.02 O ATOM 729 CB ALA A 45 -18.132 4.699 -7.704 1.00 31.13 C ATOM 0 H ALA A 45 -16.644 5.440 -4.902 1.00 72.13 H new ATOM 0 HA ALA A 45 -17.290 3.255 -6.370 1.00 23.43 H new ATOM 0 HB1 ALA A 45 -17.898 4.128 -8.602 1.00 31.13 H new ATOM 0 HB2 ALA A 45 -19.153 4.481 -7.391 1.00 31.13 H new ATOM 0 HB3 ALA A 45 -18.037 5.764 -7.916 1.00 31.13 H new ATOM 735 N VAL A 46 -15.006 5.377 -6.298 1.00 34.04 N ATOM 736 CA VAL A 46 -13.616 5.678 -6.617 1.00 50.40 C ATOM 737 C VAL A 46 -12.671 5.070 -5.585 1.00 31.34 C ATOM 738 O VAL A 46 -12.978 5.034 -4.394 1.00 21.23 O ATOM 739 CB VAL A 46 -13.372 7.196 -6.689 1.00 70.21 C ATOM 740 CG1 VAL A 46 -11.898 7.491 -6.922 1.00 43.32 C ATOM 741 CG2 VAL A 46 -14.227 7.822 -7.780 1.00 75.31 C ATOM 0 H VAL A 46 -15.363 5.859 -5.473 1.00 34.04 H new ATOM 0 HA VAL A 46 -13.414 5.239 -7.594 1.00 50.40 H new ATOM 0 HB VAL A 46 -13.660 7.637 -5.735 1.00 70.21 H new ATOM 0 HG11 VAL A 46 -11.746 8.569 -6.970 1.00 43.32 H new ATOM 0 HG12 VAL A 46 -11.310 7.078 -6.102 1.00 43.32 H new ATOM 0 HG13 VAL A 46 -11.580 7.038 -7.861 1.00 43.32 H new ATOM 0 HG21 VAL A 46 -14.042 8.895 -7.817 1.00 75.31 H new ATOM 0 HG22 VAL A 46 -13.973 7.377 -8.742 1.00 75.31 H new ATOM 0 HG23 VAL A 46 -15.280 7.643 -7.564 1.00 75.31 H new ATOM 751 N ASN A 47 -11.522 4.595 -6.052 1.00 63.14 N ATOM 752 CA ASN A 47 -10.532 3.989 -5.169 1.00 25.13 C ATOM 753 C ASN A 47 -9.783 5.056 -4.377 1.00 75.05 C ATOM 754 O ASN A 47 -9.457 6.129 -4.885 1.00 1.43 O ATOM 755 CB ASN A 47 -9.539 3.151 -5.980 1.00 71.34 C ATOM 756 CG ASN A 47 -10.198 1.956 -6.640 1.00 4.02 C ATOM 757 OD1 ASN A 47 -10.424 1.947 -7.851 1.00 64.21 O ATOM 758 ND2 ASN A 47 -10.508 0.938 -5.846 1.00 13.22 N ATOM 0 H ASN A 47 -11.253 4.618 -7.036 1.00 63.14 H new ATOM 0 HA ASN A 47 -11.057 3.341 -4.467 1.00 25.13 H new ATOM 0 HB2 ASN A 47 -9.078 3.777 -6.744 1.00 71.34 H new ATOM 0 HB3 ASN A 47 -8.739 2.806 -5.325 1.00 71.34 H new ATOM 0 HD21 ASN A 47 -10.952 0.105 -6.234 1.00 13.22 H new ATOM 0 HD22 ASN A 47 -10.302 0.989 -4.848 1.00 13.22 H new ATOM 765 N PRO A 48 -9.505 4.757 -3.098 1.00 20.31 N ATOM 766 CA PRO A 48 -8.791 5.678 -2.208 1.00 51.24 C ATOM 767 C PRO A 48 -7.325 5.837 -2.593 1.00 20.23 C ATOM 768 O PRO A 48 -6.632 6.717 -2.086 1.00 60.20 O ATOM 769 CB PRO A 48 -8.915 5.010 -0.836 1.00 65.14 C ATOM 770 CG PRO A 48 -9.096 3.561 -1.134 1.00 22.42 C ATOM 771 CD PRO A 48 -9.864 3.498 -2.425 1.00 12.44 C ATOM 0 HA PRO A 48 -9.205 6.686 -2.246 1.00 51.24 H new ATOM 0 HB2 PRO A 48 -8.025 5.181 -0.231 1.00 65.14 H new ATOM 0 HB3 PRO A 48 -9.762 5.408 -0.277 1.00 65.14 H new ATOM 0 HG2 PRO A 48 -8.133 3.058 -1.227 1.00 22.42 H new ATOM 0 HG3 PRO A 48 -9.640 3.062 -0.332 1.00 22.42 H new ATOM 0 HD2 PRO A 48 -9.580 2.630 -3.019 1.00 12.44 H new ATOM 0 HD3 PRO A 48 -10.938 3.428 -2.251 1.00 12.44 H new ATOM 779 N GLY A 49 -6.858 4.979 -3.494 1.00 4.53 N ATOM 780 CA GLY A 49 -5.475 5.041 -3.932 1.00 61.51 C ATOM 781 C GLY A 49 -5.252 6.096 -4.998 1.00 13.45 C ATOM 782 O GLY A 49 -4.113 6.402 -5.352 1.00 43.21 O ATOM 0 H GLY A 49 -7.412 4.242 -3.929 1.00 4.53 H new ATOM 0 HA2 GLY A 49 -4.835 5.253 -3.076 1.00 61.51 H new ATOM 0 HA3 GLY A 49 -5.176 4.067 -4.320 1.00 61.51 H new ATOM 786 N LEU A 50 -6.342 6.651 -5.516 1.00 74.11 N ATOM 787 CA LEU A 50 -6.262 7.677 -6.550 1.00 41.14 C ATOM 788 C LEU A 50 -5.967 9.044 -5.941 1.00 44.25 C ATOM 789 O LEU A 50 -5.853 10.041 -6.652 1.00 33.33 O ATOM 790 CB LEU A 50 -7.568 7.731 -7.344 1.00 22.34 C ATOM 791 CG LEU A 50 -7.950 6.455 -8.096 1.00 62.42 C ATOM 792 CD1 LEU A 50 -9.277 6.639 -8.817 1.00 52.40 C ATOM 793 CD2 LEU A 50 -6.856 6.067 -9.079 1.00 24.34 C ATOM 0 H LEU A 50 -7.292 6.408 -5.237 1.00 74.11 H new ATOM 0 HA LEU A 50 -5.445 7.416 -7.223 1.00 41.14 H new ATOM 0 HB2 LEU A 50 -8.377 7.980 -6.657 1.00 22.34 H new ATOM 0 HB3 LEU A 50 -7.499 8.546 -8.064 1.00 22.34 H new ATOM 0 HG LEU A 50 -8.061 5.648 -7.372 1.00 62.42 H new ATOM 0 HD11 LEU A 50 -9.533 5.722 -9.347 1.00 52.40 H new ATOM 0 HD12 LEU A 50 -10.057 6.869 -8.091 1.00 52.40 H new ATOM 0 HD13 LEU A 50 -9.193 7.459 -9.531 1.00 52.40 H new ATOM 0 HD21 LEU A 50 -7.145 5.157 -9.605 1.00 24.34 H new ATOM 0 HD22 LEU A 50 -6.712 6.872 -9.799 1.00 24.34 H new ATOM 0 HD23 LEU A 50 -5.926 5.893 -8.538 1.00 24.34 H new ATOM 805 N LEU A 51 -5.841 9.081 -4.618 1.00 71.32 N ATOM 806 CA LEU A 51 -5.557 10.325 -3.911 1.00 24.33 C ATOM 807 C LEU A 51 -4.053 10.539 -3.770 1.00 32.20 C ATOM 808 O LEU A 51 -3.598 11.647 -3.486 1.00 14.43 O ATOM 809 CB LEU A 51 -6.214 10.312 -2.530 1.00 10.33 C ATOM 810 CG LEU A 51 -7.743 10.314 -2.515 1.00 3.32 C ATOM 811 CD1 LEU A 51 -8.263 10.030 -1.114 1.00 45.42 C ATOM 812 CD2 LEU A 51 -8.281 11.642 -3.026 1.00 5.21 C ATOM 0 H LEU A 51 -5.931 8.264 -4.014 1.00 71.32 H new ATOM 0 HA LEU A 51 -5.970 11.148 -4.494 1.00 24.33 H new ATOM 0 HB2 LEU A 51 -5.866 9.430 -1.992 1.00 10.33 H new ATOM 0 HB3 LEU A 51 -5.864 11.182 -1.975 1.00 10.33 H new ATOM 0 HG LEU A 51 -8.094 9.524 -3.179 1.00 3.32 H new ATOM 0 HD11 LEU A 51 -9.353 10.035 -1.122 1.00 45.42 H new ATOM 0 HD12 LEU A 51 -7.907 9.054 -0.785 1.00 45.42 H new ATOM 0 HD13 LEU A 51 -7.902 10.797 -0.429 1.00 45.42 H new ATOM 0 HD21 LEU A 51 -9.371 11.624 -3.008 1.00 5.21 H new ATOM 0 HD22 LEU A 51 -7.921 12.450 -2.389 1.00 5.21 H new ATOM 0 HD23 LEU A 51 -7.938 11.805 -4.048 1.00 5.21 H new ATOM 824 N GLU A 52 -3.287 9.471 -3.972 1.00 23.13 N ATOM 825 CA GLU A 52 -1.834 9.543 -3.868 1.00 24.42 C ATOM 826 C GLU A 52 -1.205 9.836 -5.227 1.00 20.04 C ATOM 827 O GLU A 52 -0.056 9.475 -5.483 1.00 25.25 O ATOM 828 CB GLU A 52 -1.275 8.235 -3.306 1.00 61.51 C ATOM 829 CG GLU A 52 -1.466 7.045 -4.231 1.00 43.23 C ATOM 830 CD GLU A 52 -0.151 6.473 -4.726 1.00 74.24 C ATOM 831 OE1 GLU A 52 0.829 6.489 -3.952 1.00 45.21 O ATOM 832 OE2 GLU A 52 -0.103 6.011 -5.884 1.00 71.21 O ATOM 0 H GLU A 52 -3.648 8.547 -4.208 1.00 23.13 H new ATOM 0 HA GLU A 52 -1.584 10.358 -3.188 1.00 24.42 H new ATOM 0 HB2 GLU A 52 -0.211 8.361 -3.105 1.00 61.51 H new ATOM 0 HB3 GLU A 52 -1.757 8.024 -2.352 1.00 61.51 H new ATOM 0 HG2 GLU A 52 -2.022 6.268 -3.707 1.00 43.23 H new ATOM 0 HG3 GLU A 52 -2.071 7.348 -5.086 1.00 43.23 H new ATOM 839 N THR A 53 -1.967 10.492 -6.097 1.00 55.22 N ATOM 840 CA THR A 53 -1.487 10.831 -7.430 1.00 23.30 C ATOM 841 C THR A 53 -2.331 11.937 -8.054 1.00 15.50 C ATOM 842 O THR A 53 -3.513 11.741 -8.340 1.00 60.32 O ATOM 843 CB THR A 53 -1.499 9.604 -8.361 1.00 60.22 C ATOM 844 OG1 THR A 53 -1.884 9.996 -9.684 1.00 41.31 O ATOM 845 CG2 THR A 53 -2.455 8.541 -7.843 1.00 12.13 C ATOM 0 H THR A 53 -2.920 10.799 -5.901 1.00 55.22 H new ATOM 0 HA THR A 53 -0.461 11.181 -7.316 1.00 23.30 H new ATOM 0 HB THR A 53 -0.493 9.184 -8.385 1.00 60.22 H new ATOM 0 HG1 THR A 53 -2.562 9.376 -10.025 1.00 41.31 H new ATOM 0 HG21 THR A 53 -2.446 7.684 -8.517 1.00 12.13 H new ATOM 0 HG22 THR A 53 -2.142 8.223 -6.848 1.00 12.13 H new ATOM 0 HG23 THR A 53 -3.463 8.952 -7.792 1.00 12.13 H new ATOM 853 N SER A 54 -1.719 13.097 -8.264 1.00 63.01 N ATOM 854 CA SER A 54 -2.416 14.235 -8.851 1.00 55.13 C ATOM 855 C SER A 54 -3.165 13.820 -10.114 1.00 53.20 C ATOM 856 O SER A 54 -4.269 14.296 -10.378 1.00 42.53 O ATOM 857 CB SER A 54 -1.425 15.355 -9.178 1.00 54.54 C ATOM 858 OG SER A 54 -1.063 15.331 -10.547 1.00 20.53 O ATOM 0 H SER A 54 -0.741 13.274 -8.036 1.00 63.01 H new ATOM 0 HA SER A 54 -3.140 14.601 -8.123 1.00 55.13 H new ATOM 0 HB2 SER A 54 -1.868 16.320 -8.933 1.00 54.54 H new ATOM 0 HB3 SER A 54 -0.533 15.248 -8.561 1.00 54.54 H new ATOM 0 HG SER A 54 -0.431 16.057 -10.731 1.00 20.53 H new ATOM 864 N GLU A 55 -2.556 12.929 -10.890 1.00 22.24 N ATOM 865 CA GLU A 55 -3.165 12.450 -12.125 1.00 11.41 C ATOM 866 C GLU A 55 -4.431 11.650 -11.833 1.00 4.41 C ATOM 867 O GLU A 55 -5.374 11.650 -12.623 1.00 51.31 O ATOM 868 CB GLU A 55 -2.172 11.588 -12.909 1.00 61.33 C ATOM 869 CG GLU A 55 -2.500 11.474 -14.388 1.00 43.02 C ATOM 870 CD GLU A 55 -1.538 12.257 -15.260 1.00 61.32 C ATOM 871 OE1 GLU A 55 -0.348 11.879 -15.318 1.00 32.11 O ATOM 872 OE2 GLU A 55 -1.973 13.247 -15.885 1.00 71.21 O ATOM 0 H GLU A 55 -1.642 12.525 -10.685 1.00 22.24 H new ATOM 0 HA GLU A 55 -3.436 13.318 -12.727 1.00 11.41 H new ATOM 0 HB2 GLU A 55 -1.173 12.009 -12.799 1.00 61.33 H new ATOM 0 HB3 GLU A 55 -2.147 10.589 -12.473 1.00 61.33 H new ATOM 0 HG2 GLU A 55 -2.479 10.424 -14.681 1.00 43.02 H new ATOM 0 HG3 GLU A 55 -3.515 11.833 -14.560 1.00 43.02 H new ATOM 879 N GLY A 56 -4.442 10.966 -10.692 1.00 21.21 N ATOM 880 CA GLY A 56 -5.596 10.171 -10.316 1.00 4.21 C ATOM 881 C GLY A 56 -6.658 10.988 -9.609 1.00 12.24 C ATOM 882 O GLY A 56 -7.823 10.591 -9.555 1.00 35.13 O ATOM 0 H GLY A 56 -3.673 10.949 -10.022 1.00 21.21 H new ATOM 0 HA2 GLY A 56 -6.026 9.716 -11.208 1.00 4.21 H new ATOM 0 HA3 GLY A 56 -5.276 9.357 -9.666 1.00 4.21 H new ATOM 886 N CYS A 57 -6.258 12.131 -9.064 1.00 73.43 N ATOM 887 CA CYS A 57 -7.185 13.005 -8.354 1.00 22.42 C ATOM 888 C CYS A 57 -8.127 13.705 -9.328 1.00 30.41 C ATOM 889 O CYS A 57 -9.249 14.064 -8.972 1.00 1.13 O ATOM 890 CB CYS A 57 -6.414 14.044 -7.537 1.00 14.22 C ATOM 891 SG CYS A 57 -6.138 13.570 -5.814 1.00 3.34 S ATOM 0 H CYS A 57 -5.298 12.474 -9.100 1.00 73.43 H new ATOM 0 HA CYS A 57 -7.780 12.390 -7.679 1.00 22.42 H new ATOM 0 HB2 CYS A 57 -5.450 14.222 -8.013 1.00 14.22 H new ATOM 0 HB3 CYS A 57 -6.960 14.987 -7.560 1.00 14.22 H new ATOM 0 HG CYS A 57 -5.477 14.510 -5.206 1.00 3.34 H new ATOM 897 N ARG A 58 -7.661 13.896 -10.559 1.00 34.22 N ATOM 898 CA ARG A 58 -8.461 14.555 -11.584 1.00 73.34 C ATOM 899 C ARG A 58 -9.656 13.693 -11.980 1.00 12.00 C ATOM 900 O ARG A 58 -10.769 14.194 -12.140 1.00 24.03 O ATOM 901 CB ARG A 58 -7.605 14.855 -12.815 1.00 14.02 C ATOM 902 CG ARG A 58 -7.626 16.317 -13.231 1.00 0.31 C ATOM 903 CD ARG A 58 -7.883 16.469 -14.722 1.00 12.51 C ATOM 904 NE ARG A 58 -6.853 15.814 -15.524 1.00 31.04 N ATOM 905 CZ ARG A 58 -5.604 16.257 -15.619 1.00 32.23 C ATOM 906 NH1 ARG A 58 -5.233 17.349 -14.966 1.00 61.11 N ATOM 907 NH2 ARG A 58 -4.724 15.607 -16.370 1.00 64.44 N ATOM 0 H ARG A 58 -6.734 13.604 -10.870 1.00 34.22 H new ATOM 0 HA ARG A 58 -8.833 15.493 -11.171 1.00 73.34 H new ATOM 0 HB2 ARG A 58 -6.576 14.559 -12.612 1.00 14.02 H new ATOM 0 HB3 ARG A 58 -7.954 14.244 -13.647 1.00 14.02 H new ATOM 0 HG2 ARG A 58 -8.399 16.844 -12.672 1.00 0.31 H new ATOM 0 HG3 ARG A 58 -6.674 16.783 -12.976 1.00 0.31 H new ATOM 0 HD2 ARG A 58 -8.857 16.046 -14.967 1.00 12.51 H new ATOM 0 HD3 ARG A 58 -7.922 17.528 -14.977 1.00 12.51 H new ATOM 0 HE ARG A 58 -7.106 14.971 -16.039 1.00 31.04 H new ATOM 0 HH11 ARG A 58 -5.907 17.852 -14.389 1.00 61.11 H new ATOM 0 HH12 ARG A 58 -4.273 17.687 -15.041 1.00 61.11 H new ATOM 0 HH21 ARG A 58 -5.006 14.767 -16.875 1.00 64.44 H new ATOM 0 HH22 ARG A 58 -3.765 15.948 -16.443 1.00 64.44 H new ATOM 921 N GLN A 59 -9.417 12.395 -12.135 1.00 74.13 N ATOM 922 CA GLN A 59 -10.473 11.464 -12.513 1.00 2.51 C ATOM 923 C GLN A 59 -11.645 11.546 -11.540 1.00 12.41 C ATOM 924 O GLN A 59 -12.781 11.229 -11.894 1.00 2.12 O ATOM 925 CB GLN A 59 -9.930 10.034 -12.557 1.00 51.23 C ATOM 926 CG GLN A 59 -9.049 9.755 -13.763 1.00 24.30 C ATOM 927 CD GLN A 59 -9.755 8.938 -14.826 1.00 34.32 C ATOM 928 OE1 GLN A 59 -10.725 9.394 -15.434 1.00 63.24 O ATOM 929 NE2 GLN A 59 -9.273 7.723 -15.057 1.00 2.51 N ATOM 0 H GLN A 59 -8.502 11.964 -12.005 1.00 74.13 H new ATOM 0 HA GLN A 59 -10.828 11.741 -13.506 1.00 2.51 H new ATOM 0 HB2 GLN A 59 -9.359 9.843 -11.648 1.00 51.23 H new ATOM 0 HB3 GLN A 59 -10.767 9.336 -12.560 1.00 51.23 H new ATOM 0 HG2 GLN A 59 -8.721 10.701 -14.195 1.00 24.30 H new ATOM 0 HG3 GLN A 59 -8.153 9.225 -13.439 1.00 24.30 H new ATOM 0 HE21 GLN A 59 -8.468 7.385 -14.530 1.00 2.51 H new ATOM 0 HE22 GLN A 59 -9.708 7.127 -15.761 1.00 2.51 H new ATOM 938 N ILE A 60 -11.362 11.972 -10.313 1.00 5.15 N ATOM 939 CA ILE A 60 -12.392 12.095 -9.291 1.00 71.42 C ATOM 940 C ILE A 60 -13.302 13.287 -9.569 1.00 62.20 C ATOM 941 O ILE A 60 -14.519 13.139 -9.682 1.00 31.44 O ATOM 942 CB ILE A 60 -11.776 12.250 -7.887 1.00 14.21 C ATOM 943 CG1 ILE A 60 -10.686 11.200 -7.667 1.00 1.51 C ATOM 944 CG2 ILE A 60 -12.855 12.133 -6.821 1.00 51.00 C ATOM 945 CD1 ILE A 60 -9.918 11.387 -6.377 1.00 61.51 C ATOM 0 H ILE A 60 -10.427 12.238 -10.004 1.00 5.15 H new ATOM 0 HA ILE A 60 -12.979 11.177 -9.322 1.00 71.42 H new ATOM 0 HB ILE A 60 -11.323 13.238 -7.811 1.00 14.21 H new ATOM 0 HG12 ILE A 60 -11.141 10.210 -7.669 1.00 1.51 H new ATOM 0 HG13 ILE A 60 -9.988 11.232 -8.504 1.00 1.51 H new ATOM 0 HG21 ILE A 60 -12.405 12.244 -5.834 1.00 51.00 H new ATOM 0 HG22 ILE A 60 -13.600 12.914 -6.970 1.00 51.00 H new ATOM 0 HG23 ILE A 60 -13.334 11.156 -6.893 1.00 51.00 H new ATOM 0 HD11 ILE A 60 -9.162 10.607 -6.287 1.00 61.51 H new ATOM 0 HD12 ILE A 60 -9.434 12.363 -6.380 1.00 61.51 H new ATOM 0 HD13 ILE A 60 -10.605 11.325 -5.533 1.00 61.51 H new ATOM 957 N LEU A 61 -12.703 14.468 -9.677 1.00 21.45 N ATOM 958 CA LEU A 61 -13.459 15.687 -9.945 1.00 72.52 C ATOM 959 C LEU A 61 -14.191 15.593 -11.280 1.00 23.11 C ATOM 960 O LEU A 61 -15.331 16.035 -11.407 1.00 73.22 O ATOM 961 CB LEU A 61 -12.526 16.899 -9.946 1.00 42.13 C ATOM 962 CG LEU A 61 -11.642 17.067 -8.709 1.00 32.20 C ATOM 963 CD1 LEU A 61 -10.282 17.625 -9.097 1.00 13.31 C ATOM 964 CD2 LEU A 61 -12.319 17.970 -7.688 1.00 51.41 C ATOM 0 H LEU A 61 -11.697 14.608 -9.583 1.00 21.45 H new ATOM 0 HA LEU A 61 -14.200 15.807 -9.154 1.00 72.52 H new ATOM 0 HB2 LEU A 61 -11.881 16.835 -10.823 1.00 42.13 H new ATOM 0 HB3 LEU A 61 -13.131 17.798 -10.060 1.00 42.13 H new ATOM 0 HG LEU A 61 -11.494 16.087 -8.256 1.00 32.20 H new ATOM 0 HD11 LEU A 61 -9.667 17.738 -8.204 1.00 13.31 H new ATOM 0 HD12 LEU A 61 -9.793 16.941 -9.791 1.00 13.31 H new ATOM 0 HD13 LEU A 61 -10.410 18.596 -9.574 1.00 13.31 H new ATOM 0 HD21 LEU A 61 -11.676 18.078 -6.815 1.00 51.41 H new ATOM 0 HD22 LEU A 61 -12.498 18.950 -8.131 1.00 51.41 H new ATOM 0 HD23 LEU A 61 -13.269 17.530 -7.386 1.00 51.41 H new ATOM 976 N GLY A 62 -13.526 15.012 -12.274 1.00 42.41 N ATOM 977 CA GLY A 62 -14.129 14.868 -13.586 1.00 3.11 C ATOM 978 C GLY A 62 -15.353 13.974 -13.566 1.00 23.23 C ATOM 979 O GLY A 62 -16.127 13.952 -14.522 1.00 33.23 O ATOM 0 H GLY A 62 -12.580 14.638 -12.194 1.00 42.41 H new ATOM 0 HA2 GLY A 62 -14.407 15.852 -13.965 1.00 3.11 H new ATOM 0 HA3 GLY A 62 -13.394 14.457 -14.277 1.00 3.11 H new ATOM 983 N GLN A 63 -15.527 13.235 -12.475 1.00 14.02 N ATOM 984 CA GLN A 63 -16.665 12.334 -12.338 1.00 54.24 C ATOM 985 C GLN A 63 -17.827 13.028 -11.634 1.00 3.12 C ATOM 986 O GLN A 63 -18.958 13.015 -12.121 1.00 4.41 O ATOM 987 CB GLN A 63 -16.258 11.080 -11.561 1.00 74.43 C ATOM 988 CG GLN A 63 -15.976 9.879 -12.450 1.00 55.13 C ATOM 989 CD GLN A 63 -17.242 9.247 -12.996 1.00 70.44 C ATOM 990 OE1 GLN A 63 -18.165 8.929 -12.245 1.00 62.23 O ATOM 991 NE2 GLN A 63 -17.292 9.061 -14.309 1.00 64.42 N ATOM 0 H GLN A 63 -14.895 13.242 -11.674 1.00 14.02 H new ATOM 0 HA GLN A 63 -16.990 12.045 -13.337 1.00 54.24 H new ATOM 0 HB2 GLN A 63 -15.369 11.301 -10.970 1.00 74.43 H new ATOM 0 HB3 GLN A 63 -17.052 10.824 -10.859 1.00 74.43 H new ATOM 0 HG2 GLN A 63 -15.341 10.188 -13.281 1.00 55.13 H new ATOM 0 HG3 GLN A 63 -15.418 9.134 -11.882 1.00 55.13 H new ATOM 0 HE21 GLN A 63 -16.504 9.339 -14.894 1.00 64.42 H new ATOM 0 HE22 GLN A 63 -18.118 8.640 -14.733 1.00 64.42 H new ATOM 1000 N LEU A 64 -17.541 13.633 -10.486 1.00 5.32 N ATOM 1001 CA LEU A 64 -18.562 14.332 -9.715 1.00 11.43 C ATOM 1002 C LEU A 64 -18.977 15.626 -10.408 1.00 42.13 C ATOM 1003 O LEU A 64 -20.129 16.048 -10.315 1.00 63.35 O ATOM 1004 CB LEU A 64 -18.047 14.637 -8.308 1.00 63.12 C ATOM 1005 CG LEU A 64 -17.312 13.497 -7.599 1.00 35.24 C ATOM 1006 CD1 LEU A 64 -16.662 13.995 -6.319 1.00 74.21 C ATOM 1007 CD2 LEU A 64 -18.268 12.351 -7.303 1.00 14.12 C ATOM 0 H LEU A 64 -16.610 13.653 -10.069 1.00 5.32 H new ATOM 0 HA LEU A 64 -19.435 13.683 -9.643 1.00 11.43 H new ATOM 0 HB2 LEU A 64 -17.376 15.494 -8.366 1.00 63.12 H new ATOM 0 HB3 LEU A 64 -18.894 14.936 -7.690 1.00 63.12 H new ATOM 0 HG LEU A 64 -16.527 13.129 -8.260 1.00 35.24 H new ATOM 0 HD11 LEU A 64 -16.144 13.170 -5.829 1.00 74.21 H new ATOM 0 HD12 LEU A 64 -15.947 14.782 -6.557 1.00 74.21 H new ATOM 0 HD13 LEU A 64 -17.428 14.390 -5.652 1.00 74.21 H new ATOM 0 HD21 LEU A 64 -17.729 11.549 -6.799 1.00 14.12 H new ATOM 0 HD22 LEU A 64 -19.074 12.706 -6.661 1.00 14.12 H new ATOM 0 HD23 LEU A 64 -18.687 11.976 -8.237 1.00 14.12 H new ATOM 1019 N GLN A 65 -18.031 16.247 -11.104 1.00 30.30 N ATOM 1020 CA GLN A 65 -18.300 17.493 -11.815 1.00 52.14 C ATOM 1021 C GLN A 65 -19.604 17.400 -12.601 1.00 1.20 C ATOM 1022 O GLN A 65 -20.548 18.156 -12.375 1.00 22.02 O ATOM 1023 CB GLN A 65 -17.144 17.826 -12.759 1.00 45.12 C ATOM 1024 CG GLN A 65 -17.567 18.620 -13.984 1.00 14.11 C ATOM 1025 CD GLN A 65 -16.391 19.230 -14.719 1.00 34.51 C ATOM 1026 OE1 GLN A 65 -15.624 20.009 -14.151 1.00 73.04 O ATOM 1027 NE2 GLN A 65 -16.241 18.881 -15.991 1.00 15.10 N ATOM 0 H GLN A 65 -17.073 15.909 -11.191 1.00 30.30 H new ATOM 0 HA GLN A 65 -18.398 18.289 -11.077 1.00 52.14 H new ATOM 0 HB2 GLN A 65 -16.391 18.393 -12.212 1.00 45.12 H new ATOM 0 HB3 GLN A 65 -16.672 16.898 -13.083 1.00 45.12 H new ATOM 0 HG2 GLN A 65 -18.116 17.968 -14.663 1.00 14.11 H new ATOM 0 HG3 GLN A 65 -18.251 19.412 -13.680 1.00 14.11 H new ATOM 0 HE21 GLN A 65 -16.899 18.233 -16.423 1.00 15.10 H new ATOM 0 HE22 GLN A 65 -15.467 19.261 -16.536 1.00 15.10 H new ATOM 1036 N PRO A 66 -19.658 16.451 -13.548 1.00 62.50 N ATOM 1037 CA PRO A 66 -20.841 16.238 -14.387 1.00 11.40 C ATOM 1038 C PRO A 66 -22.012 15.658 -13.601 1.00 71.03 C ATOM 1039 O PRO A 66 -23.121 15.536 -14.121 1.00 54.12 O ATOM 1040 CB PRO A 66 -20.354 15.236 -15.437 1.00 53.10 C ATOM 1041 CG PRO A 66 -19.229 14.514 -14.779 1.00 14.14 C ATOM 1042 CD PRO A 66 -18.569 15.515 -13.872 1.00 33.13 C ATOM 0 HA PRO A 66 -21.216 17.171 -14.808 1.00 11.40 H new ATOM 0 HB2 PRO A 66 -21.149 14.549 -15.728 1.00 53.10 H new ATOM 0 HB3 PRO A 66 -20.023 15.742 -16.344 1.00 53.10 H new ATOM 0 HG2 PRO A 66 -19.593 13.656 -14.214 1.00 14.14 H new ATOM 0 HG3 PRO A 66 -18.524 14.133 -15.518 1.00 14.14 H new ATOM 0 HD2 PRO A 66 -18.166 15.042 -12.977 1.00 33.13 H new ATOM 0 HD3 PRO A 66 -17.739 16.020 -14.367 1.00 33.13 H new ATOM 1050 N SER A 67 -21.759 15.303 -12.346 1.00 64.24 N ATOM 1051 CA SER A 67 -22.792 14.734 -11.488 1.00 71.11 C ATOM 1052 C SER A 67 -23.258 15.750 -10.450 1.00 53.40 C ATOM 1053 O SER A 67 -24.125 15.460 -9.625 1.00 4.43 O ATOM 1054 CB SER A 67 -22.269 13.477 -10.789 1.00 31.15 C ATOM 1055 OG SER A 67 -21.732 12.559 -11.726 1.00 15.45 O ATOM 0 H SER A 67 -20.847 15.399 -11.900 1.00 64.24 H new ATOM 0 HA SER A 67 -23.642 14.466 -12.115 1.00 71.11 H new ATOM 0 HB2 SER A 67 -21.503 13.752 -10.064 1.00 31.15 H new ATOM 0 HB3 SER A 67 -23.078 13.003 -10.233 1.00 31.15 H new ATOM 0 HG SER A 67 -20.776 12.737 -11.847 1.00 15.45 H new ATOM 1061 N LEU A 68 -22.677 16.944 -10.498 1.00 44.22 N ATOM 1062 CA LEU A 68 -23.031 18.005 -9.561 1.00 11.45 C ATOM 1063 C LEU A 68 -24.493 18.408 -9.724 1.00 64.50 C ATOM 1064 O LEU A 68 -25.068 19.057 -8.850 1.00 21.11 O ATOM 1065 CB LEU A 68 -22.128 19.221 -9.773 1.00 25.41 C ATOM 1066 CG LEU A 68 -20.758 19.165 -9.098 1.00 63.55 C ATOM 1067 CD1 LEU A 68 -19.797 20.145 -9.756 1.00 54.25 C ATOM 1068 CD2 LEU A 68 -20.885 19.458 -7.609 1.00 25.15 C ATOM 0 H LEU A 68 -21.959 17.202 -11.175 1.00 44.22 H new ATOM 0 HA LEU A 68 -22.888 17.626 -8.549 1.00 11.45 H new ATOM 0 HB2 LEU A 68 -21.978 19.355 -10.844 1.00 25.41 H new ATOM 0 HB3 LEU A 68 -22.653 20.106 -9.412 1.00 25.41 H new ATOM 0 HG LEU A 68 -20.356 18.159 -9.218 1.00 63.55 H new ATOM 0 HD11 LEU A 68 -18.827 20.091 -9.262 1.00 54.25 H new ATOM 0 HD12 LEU A 68 -19.682 19.890 -10.810 1.00 54.25 H new ATOM 0 HD13 LEU A 68 -20.193 21.157 -9.668 1.00 54.25 H new ATOM 0 HD21 LEU A 68 -19.900 19.414 -7.144 1.00 25.15 H new ATOM 0 HD22 LEU A 68 -21.308 20.453 -7.469 1.00 25.15 H new ATOM 0 HD23 LEU A 68 -21.538 18.717 -7.147 1.00 25.15 H new ATOM 1080 N GLN A 69 -25.088 18.017 -10.846 1.00 33.42 N ATOM 1081 CA GLN A 69 -26.483 18.337 -11.121 1.00 12.12 C ATOM 1082 C GLN A 69 -27.415 17.526 -10.227 1.00 54.12 C ATOM 1083 O GLN A 69 -28.372 18.058 -9.664 1.00 53.13 O ATOM 1084 CB GLN A 69 -26.809 18.070 -12.593 1.00 75.23 C ATOM 1085 CG GLN A 69 -27.967 18.902 -13.120 1.00 23.11 C ATOM 1086 CD GLN A 69 -28.500 18.389 -14.443 1.00 51.24 C ATOM 1087 OE1 GLN A 69 -27.751 18.231 -15.408 1.00 60.54 O ATOM 1088 NE2 GLN A 69 -29.799 18.124 -14.495 1.00 74.13 N ATOM 0 H GLN A 69 -24.626 17.478 -11.579 1.00 33.42 H new ATOM 0 HA GLN A 69 -26.635 19.395 -10.908 1.00 12.12 H new ATOM 0 HB2 GLN A 69 -25.923 18.272 -13.195 1.00 75.23 H new ATOM 0 HB3 GLN A 69 -27.045 17.013 -12.718 1.00 75.23 H new ATOM 0 HG2 GLN A 69 -28.772 18.904 -12.385 1.00 23.11 H new ATOM 0 HG3 GLN A 69 -27.642 19.935 -13.240 1.00 23.11 H new ATOM 0 HE21 GLN A 69 -30.383 18.270 -13.671 1.00 74.13 H new ATOM 0 HE22 GLN A 69 -30.214 17.775 -15.359 1.00 74.13 H new ATOM 1097 N THR A 70 -27.129 16.234 -10.100 1.00 42.50 N ATOM 1098 CA THR A 70 -27.942 15.349 -9.276 1.00 5.52 C ATOM 1099 C THR A 70 -27.118 14.739 -8.147 1.00 4.22 C ATOM 1100 O THR A 70 -27.341 13.596 -7.750 1.00 73.20 O ATOM 1101 CB THR A 70 -28.563 14.214 -10.112 1.00 22.52 C ATOM 1102 OG1 THR A 70 -27.536 13.335 -10.586 1.00 74.03 O ATOM 1103 CG2 THR A 70 -29.340 14.777 -11.293 1.00 51.41 C ATOM 0 H THR A 70 -26.340 15.777 -10.558 1.00 42.50 H new ATOM 0 HA THR A 70 -28.741 15.958 -8.853 1.00 5.52 H new ATOM 0 HB THR A 70 -29.251 13.657 -9.475 1.00 22.52 H new ATOM 0 HG1 THR A 70 -27.940 12.616 -11.115 1.00 74.03 H new ATOM 0 HG21 THR A 70 -29.770 13.958 -11.869 1.00 51.41 H new ATOM 0 HG22 THR A 70 -30.139 15.423 -10.928 1.00 51.41 H new ATOM 0 HG23 THR A 70 -28.668 15.354 -11.928 1.00 51.41 H new ATOM 1111 N GLY A 71 -26.164 15.510 -7.634 1.00 44.03 N ATOM 1112 CA GLY A 71 -25.321 15.028 -6.554 1.00 73.12 C ATOM 1113 C GLY A 71 -25.787 15.512 -5.196 1.00 62.34 C ATOM 1114 O GLY A 71 -25.920 16.715 -4.970 1.00 63.32 O ATOM 0 H GLY A 71 -25.960 16.459 -7.946 1.00 44.03 H new ATOM 0 HA2 GLY A 71 -25.310 13.938 -6.564 1.00 73.12 H new ATOM 0 HA3 GLY A 71 -24.296 15.358 -6.722 1.00 73.12 H new ATOM 1118 N SER A 72 -26.035 14.573 -4.287 1.00 34.33 N ATOM 1119 CA SER A 72 -26.494 14.911 -2.945 1.00 64.04 C ATOM 1120 C SER A 72 -25.460 15.765 -2.217 1.00 12.40 C ATOM 1121 O SER A 72 -24.459 16.179 -2.801 1.00 11.22 O ATOM 1122 CB SER A 72 -26.775 13.638 -2.145 1.00 73.25 C ATOM 1123 OG SER A 72 -25.610 12.842 -2.026 1.00 53.21 O ATOM 0 H SER A 72 -25.926 13.573 -4.456 1.00 34.33 H new ATOM 0 HA SER A 72 -27.416 15.486 -3.036 1.00 64.04 H new ATOM 0 HB2 SER A 72 -27.142 13.902 -1.153 1.00 73.25 H new ATOM 0 HB3 SER A 72 -27.563 13.064 -2.634 1.00 73.25 H new ATOM 0 HG SER A 72 -25.816 12.035 -1.509 1.00 53.21 H new ATOM 1129 N GLU A 73 -25.711 16.023 -0.937 1.00 62.44 N ATOM 1130 CA GLU A 73 -24.802 16.829 -0.129 1.00 72.13 C ATOM 1131 C GLU A 73 -23.462 16.122 0.052 1.00 53.41 C ATOM 1132 O GLU A 73 -22.404 16.743 -0.042 1.00 12.53 O ATOM 1133 CB GLU A 73 -25.425 17.123 1.238 1.00 1.12 C ATOM 1134 CG GLU A 73 -25.300 18.576 1.664 1.00 5.40 C ATOM 1135 CD GLU A 73 -25.390 18.753 3.168 1.00 14.41 C ATOM 1136 OE1 GLU A 73 -26.452 18.429 3.740 1.00 61.34 O ATOM 1137 OE2 GLU A 73 -24.399 19.213 3.771 1.00 72.35 O ATOM 0 H GLU A 73 -26.534 15.686 -0.438 1.00 62.44 H new ATOM 0 HA GLU A 73 -24.629 17.770 -0.652 1.00 72.13 H new ATOM 0 HB2 GLU A 73 -26.480 16.850 1.213 1.00 1.12 H new ATOM 0 HB3 GLU A 73 -24.950 16.491 1.988 1.00 1.12 H new ATOM 0 HG2 GLU A 73 -24.348 18.973 1.311 1.00 5.40 H new ATOM 0 HG3 GLU A 73 -26.086 19.160 1.185 1.00 5.40 H new ATOM 1144 N GLU A 74 -23.518 14.818 0.312 1.00 35.44 N ATOM 1145 CA GLU A 74 -22.309 14.028 0.506 1.00 42.45 C ATOM 1146 C GLU A 74 -21.350 14.201 -0.667 1.00 3.24 C ATOM 1147 O GLU A 74 -20.131 14.147 -0.501 1.00 24.21 O ATOM 1148 CB GLU A 74 -22.662 12.548 0.675 1.00 73.01 C ATOM 1149 CG GLU A 74 -22.753 12.106 2.126 1.00 1.42 C ATOM 1150 CD GLU A 74 -24.144 12.280 2.704 1.00 32.23 C ATOM 1151 OE1 GLU A 74 -25.022 11.447 2.399 1.00 21.23 O ATOM 1152 OE2 GLU A 74 -24.353 13.250 3.462 1.00 30.50 O ATOM 0 H GLU A 74 -24.386 14.289 0.393 1.00 35.44 H new ATOM 0 HA GLU A 74 -21.816 14.384 1.411 1.00 42.45 H new ATOM 0 HB2 GLU A 74 -23.615 12.352 0.184 1.00 73.01 H new ATOM 0 HB3 GLU A 74 -21.911 11.944 0.166 1.00 73.01 H new ATOM 0 HG2 GLU A 74 -22.461 11.059 2.202 1.00 1.42 H new ATOM 0 HG3 GLU A 74 -22.042 12.679 2.721 1.00 1.42 H new ATOM 1159 N LEU A 75 -21.908 14.411 -1.854 1.00 12.41 N ATOM 1160 CA LEU A 75 -21.104 14.592 -3.057 1.00 2.33 C ATOM 1161 C LEU A 75 -20.492 15.989 -3.098 1.00 11.40 C ATOM 1162 O LEU A 75 -19.387 16.179 -3.606 1.00 41.40 O ATOM 1163 CB LEU A 75 -21.957 14.360 -4.306 1.00 71.15 C ATOM 1164 CG LEU A 75 -21.192 14.149 -5.613 1.00 42.23 C ATOM 1165 CD1 LEU A 75 -21.881 13.100 -6.470 1.00 11.35 C ATOM 1166 CD2 LEU A 75 -21.062 15.461 -6.373 1.00 45.24 C ATOM 0 H LEU A 75 -22.915 14.460 -2.009 1.00 12.41 H new ATOM 0 HA LEU A 75 -20.296 13.861 -3.036 1.00 2.33 H new ATOM 0 HB2 LEU A 75 -22.588 13.488 -4.133 1.00 71.15 H new ATOM 0 HB3 LEU A 75 -22.621 15.215 -4.431 1.00 71.15 H new ATOM 0 HG LEU A 75 -20.191 13.792 -5.372 1.00 42.23 H new ATOM 0 HD11 LEU A 75 -21.323 12.963 -7.396 1.00 11.35 H new ATOM 0 HD12 LEU A 75 -21.921 12.156 -5.927 1.00 11.35 H new ATOM 0 HD13 LEU A 75 -22.894 13.428 -6.702 1.00 11.35 H new ATOM 0 HD21 LEU A 75 -20.515 15.292 -7.300 1.00 45.24 H new ATOM 0 HD22 LEU A 75 -22.055 15.848 -6.603 1.00 45.24 H new ATOM 0 HD23 LEU A 75 -20.523 16.184 -5.761 1.00 45.24 H new ATOM 1178 N ARG A 76 -21.217 16.962 -2.557 1.00 35.00 N ATOM 1179 CA ARG A 76 -20.746 18.342 -2.530 1.00 4.35 C ATOM 1180 C ARG A 76 -19.440 18.455 -1.750 1.00 50.50 C ATOM 1181 O ARG A 76 -18.442 18.963 -2.260 1.00 22.21 O ATOM 1182 CB ARG A 76 -21.805 19.253 -1.908 1.00 65.12 C ATOM 1183 CG ARG A 76 -21.783 20.672 -2.451 1.00 24.22 C ATOM 1184 CD ARG A 76 -20.771 21.535 -1.712 1.00 34.42 C ATOM 1185 NE ARG A 76 -21.128 21.713 -0.307 1.00 44.12 N ATOM 1186 CZ ARG A 76 -22.059 22.562 0.114 1.00 32.31 C ATOM 1187 NH1 ARG A 76 -22.724 23.307 -0.758 1.00 52.12 N ATOM 1188 NH2 ARG A 76 -22.326 22.667 1.409 1.00 55.32 N ATOM 0 H ARG A 76 -22.133 16.821 -2.131 1.00 35.00 H new ATOM 0 HA ARG A 76 -20.564 18.658 -3.557 1.00 4.35 H new ATOM 0 HB2 ARG A 76 -22.791 18.822 -2.082 1.00 65.12 H new ATOM 0 HB3 ARG A 76 -21.657 19.284 -0.829 1.00 65.12 H new ATOM 0 HG2 ARG A 76 -21.540 20.653 -3.513 1.00 24.22 H new ATOM 0 HG3 ARG A 76 -22.775 21.113 -2.359 1.00 24.22 H new ATOM 0 HD2 ARG A 76 -19.785 21.076 -1.780 1.00 34.42 H new ATOM 0 HD3 ARG A 76 -20.704 22.510 -2.195 1.00 34.42 H new ATOM 0 HE ARG A 76 -20.635 21.154 0.390 1.00 44.12 H new ATOM 0 HH11 ARG A 76 -22.521 23.229 -1.755 1.00 52.12 H new ATOM 0 HH12 ARG A 76 -23.438 23.958 -0.432 1.00 52.12 H new ATOM 0 HH21 ARG A 76 -21.816 22.096 2.083 1.00 55.32 H new ATOM 0 HH22 ARG A 76 -23.041 23.319 1.731 1.00 55.32 H new ATOM 1202 N SER A 77 -19.455 17.977 -0.509 1.00 72.43 N ATOM 1203 CA SER A 77 -18.274 18.030 0.344 1.00 3.40 C ATOM 1204 C SER A 77 -17.063 17.432 -0.367 1.00 35.41 C ATOM 1205 O SER A 77 -15.963 17.984 -0.316 1.00 42.20 O ATOM 1206 CB SER A 77 -18.531 17.280 1.654 1.00 23.34 C ATOM 1207 OG SER A 77 -19.167 18.118 2.603 1.00 44.23 O ATOM 0 H SER A 77 -20.272 17.549 -0.073 1.00 72.43 H new ATOM 0 HA SER A 77 -18.064 19.076 0.567 1.00 3.40 H new ATOM 0 HB2 SER A 77 -19.153 16.406 1.461 1.00 23.34 H new ATOM 0 HB3 SER A 77 -17.587 16.916 2.060 1.00 23.34 H new ATOM 0 HG SER A 77 -19.322 17.616 3.430 1.00 44.23 H new ATOM 1213 N LEU A 78 -17.274 16.301 -1.031 1.00 11.00 N ATOM 1214 CA LEU A 78 -16.202 15.626 -1.754 1.00 24.30 C ATOM 1215 C LEU A 78 -15.575 16.555 -2.789 1.00 61.43 C ATOM 1216 O LEU A 78 -14.378 16.843 -2.736 1.00 12.43 O ATOM 1217 CB LEU A 78 -16.735 14.367 -2.439 1.00 64.20 C ATOM 1218 CG LEU A 78 -16.339 13.035 -1.798 1.00 31.41 C ATOM 1219 CD1 LEU A 78 -14.825 12.917 -1.706 1.00 33.15 C ATOM 1220 CD2 LEU A 78 -16.971 12.897 -0.421 1.00 63.41 C ATOM 0 H LEU A 78 -18.178 15.832 -1.084 1.00 11.00 H new ATOM 0 HA LEU A 78 -15.434 15.342 -1.034 1.00 24.30 H new ATOM 0 HB2 LEU A 78 -17.823 14.425 -2.466 1.00 64.20 H new ATOM 0 HB3 LEU A 78 -16.390 14.366 -3.473 1.00 64.20 H new ATOM 0 HG LEU A 78 -16.709 12.226 -2.428 1.00 31.41 H new ATOM 0 HD11 LEU A 78 -14.562 11.964 -1.248 1.00 33.15 H new ATOM 0 HD12 LEU A 78 -14.394 12.970 -2.706 1.00 33.15 H new ATOM 0 HD13 LEU A 78 -14.433 13.732 -1.098 1.00 33.15 H new ATOM 0 HD21 LEU A 78 -16.678 11.944 0.020 1.00 63.41 H new ATOM 0 HD22 LEU A 78 -16.632 13.712 0.218 1.00 63.41 H new ATOM 0 HD23 LEU A 78 -18.056 12.936 -0.513 1.00 63.41 H new ATOM 1232 N TYR A 79 -16.390 17.023 -3.727 1.00 31.31 N ATOM 1233 CA TYR A 79 -15.916 17.920 -4.774 1.00 13.34 C ATOM 1234 C TYR A 79 -15.095 19.062 -4.183 1.00 0.31 C ATOM 1235 O TYR A 79 -14.017 19.388 -4.679 1.00 51.31 O ATOM 1236 CB TYR A 79 -17.097 18.483 -5.567 1.00 43.24 C ATOM 1237 CG TYR A 79 -16.735 18.914 -6.969 1.00 25.51 C ATOM 1238 CD1 TYR A 79 -16.163 18.021 -7.866 1.00 12.24 C ATOM 1239 CD2 TYR A 79 -16.963 20.217 -7.397 1.00 5.13 C ATOM 1240 CE1 TYR A 79 -15.829 18.411 -9.149 1.00 50.23 C ATOM 1241 CE2 TYR A 79 -16.633 20.615 -8.679 1.00 62.42 C ATOM 1242 CZ TYR A 79 -16.067 19.709 -9.550 1.00 3.22 C ATOM 1243 OH TYR A 79 -15.737 20.103 -10.827 1.00 24.12 O ATOM 0 H TYR A 79 -17.383 16.796 -3.784 1.00 31.31 H new ATOM 0 HA TYR A 79 -15.277 17.347 -5.446 1.00 13.34 H new ATOM 0 HB2 TYR A 79 -17.881 17.728 -5.619 1.00 43.24 H new ATOM 0 HB3 TYR A 79 -17.511 19.336 -5.029 1.00 43.24 H new ATOM 0 HD1 TYR A 79 -15.976 17.004 -7.555 1.00 12.24 H new ATOM 0 HD2 TYR A 79 -17.405 20.930 -6.717 1.00 5.13 H new ATOM 0 HE1 TYR A 79 -15.384 17.704 -9.833 1.00 50.23 H new ATOM 0 HE2 TYR A 79 -16.818 21.631 -8.997 1.00 62.42 H new ATOM 0 HH TYR A 79 -15.970 21.047 -10.949 1.00 24.12 H new ATOM 1253 N ASN A 80 -15.614 19.666 -3.119 1.00 50.02 N ATOM 1254 CA ASN A 80 -14.930 20.772 -2.458 1.00 20.15 C ATOM 1255 C ASN A 80 -13.547 20.346 -1.977 1.00 62.33 C ATOM 1256 O ASN A 80 -12.534 20.928 -2.367 1.00 73.33 O ATOM 1257 CB ASN A 80 -15.760 21.279 -1.278 1.00 60.22 C ATOM 1258 CG ASN A 80 -16.450 22.596 -1.580 1.00 41.20 C ATOM 1259 OD1 ASN A 80 -16.309 23.568 -0.838 1.00 64.03 O ATOM 1260 ND2 ASN A 80 -17.202 22.633 -2.673 1.00 3.44 N ATOM 0 H ASN A 80 -16.506 19.408 -2.696 1.00 50.02 H new ATOM 0 HA ASN A 80 -14.810 21.578 -3.182 1.00 20.15 H new ATOM 0 HB2 ASN A 80 -16.509 20.531 -1.016 1.00 60.22 H new ATOM 0 HB3 ASN A 80 -15.114 21.401 -0.409 1.00 60.22 H new ATOM 0 HD21 ASN A 80 -17.691 23.491 -2.927 1.00 3.44 H new ATOM 0 HD22 ASN A 80 -17.291 21.803 -3.259 1.00 3.44 H new ATOM 1267 N THR A 81 -13.510 19.326 -1.126 1.00 52.54 N ATOM 1268 CA THR A 81 -12.252 18.822 -0.589 1.00 14.03 C ATOM 1269 C THR A 81 -11.301 18.414 -1.709 1.00 55.13 C ATOM 1270 O THR A 81 -10.189 18.934 -1.811 1.00 53.34 O ATOM 1271 CB THR A 81 -12.481 17.614 0.339 1.00 70.23 C ATOM 1272 OG1 THR A 81 -13.539 17.898 1.261 1.00 35.20 O ATOM 1273 CG2 THR A 81 -11.213 17.273 1.107 1.00 22.23 C ATOM 0 H THR A 81 -14.338 18.832 -0.793 1.00 52.54 H new ATOM 0 HA THR A 81 -11.806 19.633 -0.014 1.00 14.03 H new ATOM 0 HB THR A 81 -12.756 16.758 -0.278 1.00 70.23 H new ATOM 0 HG1 THR A 81 -14.403 17.800 0.808 1.00 35.20 H new ATOM 0 HG21 THR A 81 -11.399 16.417 1.755 1.00 22.23 H new ATOM 0 HG22 THR A 81 -10.416 17.029 0.404 1.00 22.23 H new ATOM 0 HG23 THR A 81 -10.913 18.128 1.713 1.00 22.23 H new ATOM 1281 N ILE A 82 -11.746 17.483 -2.546 1.00 70.10 N ATOM 1282 CA ILE A 82 -10.934 17.008 -3.659 1.00 31.43 C ATOM 1283 C ILE A 82 -10.330 18.174 -4.436 1.00 34.21 C ATOM 1284 O ILE A 82 -9.155 18.148 -4.801 1.00 41.11 O ATOM 1285 CB ILE A 82 -11.757 16.135 -4.625 1.00 23.31 C ATOM 1286 CG1 ILE A 82 -12.351 14.936 -3.882 1.00 71.12 C ATOM 1287 CG2 ILE A 82 -10.892 15.669 -5.787 1.00 71.50 C ATOM 1288 CD1 ILE A 82 -13.608 14.391 -4.522 1.00 51.14 C ATOM 0 H ILE A 82 -12.664 17.043 -2.475 1.00 70.10 H new ATOM 0 HA ILE A 82 -10.133 16.406 -3.230 1.00 31.43 H new ATOM 0 HB ILE A 82 -12.575 16.734 -5.025 1.00 23.31 H new ATOM 0 HG12 ILE A 82 -11.605 14.143 -3.833 1.00 71.12 H new ATOM 0 HG13 ILE A 82 -12.573 15.228 -2.856 1.00 71.12 H new ATOM 0 HG21 ILE A 82 -11.488 15.053 -6.460 1.00 71.50 H new ATOM 0 HG22 ILE A 82 -10.512 16.536 -6.328 1.00 71.50 H new ATOM 0 HG23 ILE A 82 -10.055 15.084 -5.406 1.00 71.50 H new ATOM 0 HD11 ILE A 82 -13.973 13.543 -3.942 1.00 51.14 H new ATOM 0 HD12 ILE A 82 -14.371 15.169 -4.547 1.00 51.14 H new ATOM 0 HD13 ILE A 82 -13.387 14.067 -5.539 1.00 51.14 H new ATOM 1300 N ALA A 83 -11.142 19.196 -4.684 1.00 63.45 N ATOM 1301 CA ALA A 83 -10.686 20.374 -5.413 1.00 15.12 C ATOM 1302 C ALA A 83 -9.445 20.974 -4.766 1.00 63.41 C ATOM 1303 O ALA A 83 -8.497 21.357 -5.452 1.00 1.12 O ATOM 1304 CB ALA A 83 -11.799 21.409 -5.489 1.00 24.32 C ATOM 0 H ALA A 83 -12.118 19.233 -4.391 1.00 63.45 H new ATOM 0 HA ALA A 83 -10.421 20.066 -6.424 1.00 15.12 H new ATOM 0 HB1 ALA A 83 -11.446 22.283 -6.036 1.00 24.32 H new ATOM 0 HB2 ALA A 83 -12.659 20.981 -6.005 1.00 24.32 H new ATOM 0 HB3 ALA A 83 -12.091 21.704 -4.481 1.00 24.32 H new ATOM 1310 N VAL A 84 -9.455 21.057 -3.438 1.00 15.13 N ATOM 1311 CA VAL A 84 -8.329 21.611 -2.698 1.00 61.03 C ATOM 1312 C VAL A 84 -7.131 20.668 -2.730 1.00 15.24 C ATOM 1313 O VAL A 84 -6.006 21.085 -3.009 1.00 54.43 O ATOM 1314 CB VAL A 84 -8.706 21.894 -1.231 1.00 34.32 C ATOM 1315 CG1 VAL A 84 -7.590 22.652 -0.529 1.00 51.33 C ATOM 1316 CG2 VAL A 84 -10.014 22.666 -1.157 1.00 35.25 C ATOM 0 H VAL A 84 -10.232 20.747 -2.854 1.00 15.13 H new ATOM 0 HA VAL A 84 -8.062 22.549 -3.185 1.00 61.03 H new ATOM 0 HB VAL A 84 -8.843 20.941 -0.719 1.00 34.32 H new ATOM 0 HG11 VAL A 84 -7.875 22.843 0.506 1.00 51.33 H new ATOM 0 HG12 VAL A 84 -6.677 22.057 -0.550 1.00 51.33 H new ATOM 0 HG13 VAL A 84 -7.418 23.600 -1.038 1.00 51.33 H new ATOM 0 HG21 VAL A 84 -10.265 22.857 -0.114 1.00 35.25 H new ATOM 0 HG22 VAL A 84 -9.907 23.614 -1.684 1.00 35.25 H new ATOM 0 HG23 VAL A 84 -10.809 22.081 -1.620 1.00 35.25 H new ATOM 1326 N LEU A 85 -7.381 19.394 -2.444 1.00 63.43 N ATOM 1327 CA LEU A 85 -6.323 18.390 -2.441 1.00 65.04 C ATOM 1328 C LEU A 85 -5.607 18.349 -3.787 1.00 12.34 C ATOM 1329 O LEU A 85 -4.406 18.610 -3.871 1.00 34.44 O ATOM 1330 CB LEU A 85 -6.902 17.013 -2.116 1.00 13.32 C ATOM 1331 CG LEU A 85 -5.885 15.914 -1.803 1.00 53.44 C ATOM 1332 CD1 LEU A 85 -5.422 16.012 -0.358 1.00 23.20 C ATOM 1333 CD2 LEU A 85 -6.481 14.541 -2.082 1.00 62.53 C ATOM 0 H LEU A 85 -8.306 19.033 -2.212 1.00 63.43 H new ATOM 0 HA LEU A 85 -5.598 18.663 -1.674 1.00 65.04 H new ATOM 0 HB2 LEU A 85 -7.571 17.115 -1.262 1.00 13.32 H new ATOM 0 HB3 LEU A 85 -7.510 16.688 -2.960 1.00 13.32 H new ATOM 0 HG LEU A 85 -5.019 16.051 -2.451 1.00 53.44 H new ATOM 0 HD11 LEU A 85 -4.699 15.222 -0.153 1.00 23.20 H new ATOM 0 HD12 LEU A 85 -4.956 16.983 -0.190 1.00 23.20 H new ATOM 0 HD13 LEU A 85 -6.279 15.901 0.307 1.00 23.20 H new ATOM 0 HD21 LEU A 85 -5.744 13.771 -1.854 1.00 62.53 H new ATOM 0 HD22 LEU A 85 -7.364 14.394 -1.459 1.00 62.53 H new ATOM 0 HD23 LEU A 85 -6.763 14.473 -3.133 1.00 62.53 H new ATOM 1345 N TYR A 86 -6.352 18.022 -4.837 1.00 10.30 N ATOM 1346 CA TYR A 86 -5.789 17.946 -6.180 1.00 24.43 C ATOM 1347 C TYR A 86 -4.879 19.140 -6.457 1.00 63.01 C ATOM 1348 O TYR A 86 -3.776 18.985 -6.983 1.00 31.21 O ATOM 1349 CB TYR A 86 -6.907 17.890 -7.223 1.00 64.22 C ATOM 1350 CG TYR A 86 -6.427 18.124 -8.638 1.00 51.35 C ATOM 1351 CD1 TYR A 86 -5.842 17.099 -9.372 1.00 65.34 C ATOM 1352 CD2 TYR A 86 -6.561 19.368 -9.241 1.00 65.43 C ATOM 1353 CE1 TYR A 86 -5.402 17.309 -10.664 1.00 11.15 C ATOM 1354 CE2 TYR A 86 -6.125 19.586 -10.533 1.00 12.35 C ATOM 1355 CZ TYR A 86 -5.546 18.553 -11.241 1.00 2.01 C ATOM 1356 OH TYR A 86 -5.111 18.765 -12.529 1.00 24.32 O ATOM 0 H TYR A 86 -7.347 17.805 -4.784 1.00 10.30 H new ATOM 0 HA TYR A 86 -5.194 17.035 -6.246 1.00 24.43 H new ATOM 0 HB2 TYR A 86 -7.394 16.916 -7.170 1.00 64.22 H new ATOM 0 HB3 TYR A 86 -7.661 18.637 -6.976 1.00 64.22 H new ATOM 0 HD1 TYR A 86 -5.730 16.122 -8.925 1.00 65.34 H new ATOM 0 HD2 TYR A 86 -7.014 20.179 -8.690 1.00 65.43 H new ATOM 0 HE1 TYR A 86 -4.947 16.503 -11.220 1.00 11.15 H new ATOM 0 HE2 TYR A 86 -6.237 20.560 -10.987 1.00 12.35 H new ATOM 0 HH TYR A 86 -5.287 19.694 -12.785 1.00 24.32 H new ATOM 1366 N CYS A 87 -5.350 20.329 -6.099 1.00 72.13 N ATOM 1367 CA CYS A 87 -4.580 21.551 -6.308 1.00 34.01 C ATOM 1368 C CYS A 87 -3.216 21.456 -5.634 1.00 23.24 C ATOM 1369 O CYS A 87 -2.190 21.762 -6.241 1.00 3.44 O ATOM 1370 CB CYS A 87 -5.347 22.759 -5.769 1.00 70.13 C ATOM 1371 SG CYS A 87 -6.206 23.716 -7.040 1.00 64.45 S ATOM 0 H CYS A 87 -6.261 20.474 -5.663 1.00 72.13 H new ATOM 0 HA CYS A 87 -4.426 21.676 -7.380 1.00 34.01 H new ATOM 0 HB2 CYS A 87 -6.075 22.415 -5.034 1.00 70.13 H new ATOM 0 HB3 CYS A 87 -4.651 23.414 -5.245 1.00 70.13 H new ATOM 0 HG CYS A 87 -6.827 24.715 -6.486 1.00 64.45 H new ATOM 1377 N VAL A 88 -3.212 21.032 -4.375 1.00 40.05 N ATOM 1378 CA VAL A 88 -1.973 20.898 -3.617 1.00 61.13 C ATOM 1379 C VAL A 88 -0.942 20.083 -4.390 1.00 31.51 C ATOM 1380 O VAL A 88 0.245 20.411 -4.397 1.00 33.45 O ATOM 1381 CB VAL A 88 -2.220 20.230 -2.251 1.00 13.35 C ATOM 1382 CG1 VAL A 88 -0.921 20.121 -1.466 1.00 34.25 C ATOM 1383 CG2 VAL A 88 -3.266 21.002 -1.462 1.00 75.21 C ATOM 0 H VAL A 88 -4.053 20.775 -3.858 1.00 40.05 H new ATOM 0 HA VAL A 88 -1.589 21.906 -3.456 1.00 61.13 H new ATOM 0 HB VAL A 88 -2.598 19.222 -2.423 1.00 13.35 H new ATOM 0 HG11 VAL A 88 -1.116 19.647 -0.504 1.00 34.25 H new ATOM 0 HG12 VAL A 88 -0.205 19.521 -2.028 1.00 34.25 H new ATOM 0 HG13 VAL A 88 -0.510 21.117 -1.303 1.00 34.25 H new ATOM 0 HG21 VAL A 88 -3.428 20.516 -0.500 1.00 75.21 H new ATOM 0 HG22 VAL A 88 -2.919 22.022 -1.299 1.00 75.21 H new ATOM 0 HG23 VAL A 88 -4.202 21.022 -2.021 1.00 75.21 H new ATOM 1393 N HIS A 89 -1.402 19.020 -5.040 1.00 14.25 N ATOM 1394 CA HIS A 89 -0.520 18.156 -5.819 1.00 73.32 C ATOM 1395 C HIS A 89 0.043 18.904 -7.024 1.00 60.20 C ATOM 1396 O HIS A 89 1.218 18.691 -7.322 1.00 40.52 O ATOM 1397 CB HIS A 89 -1.272 16.909 -6.283 1.00 1.30 C ATOM 1398 CG HIS A 89 -1.729 16.032 -5.158 1.00 41.35 C ATOM 1399 ND1 HIS A 89 -1.106 15.999 -3.927 1.00 21.44 N ATOM 1400 CD2 HIS A 89 -2.755 15.152 -5.081 1.00 30.34 C ATOM 1401 CE1 HIS A 89 -1.729 15.137 -3.144 1.00 33.11 C ATOM 1402 NE2 HIS A 89 -2.735 14.610 -3.820 1.00 45.11 N ATOM 0 H HIS A 89 -2.381 18.735 -5.044 1.00 14.25 H new ATOM 0 HA HIS A 89 0.310 17.852 -5.181 1.00 73.32 H new ATOM 0 HB2 HIS A 89 -2.138 17.214 -6.870 1.00 1.30 H new ATOM 0 HB3 HIS A 89 -0.627 16.331 -6.945 1.00 1.30 H new ATOM 0 HD1 HIS A 89 -0.292 16.554 -3.663 1.00 21.44 H new ATOM 0 HD2 HIS A 89 -3.459 14.919 -5.866 1.00 30.34 H new ATOM 0 HE1 HIS A 89 -1.462 14.903 -2.124 1.00 33.11 H new ATOM 0 HE2 HIS A 89 -3.390 13.914 -3.463 1.00 45.11 H new ATOM 1411 N GLN A 90 -0.736 19.743 -7.701 1.00 2.51 N ATOM 1412 CA GLN A 90 -0.241 20.477 -8.859 1.00 51.40 C ATOM 1413 C GLN A 90 0.523 21.724 -8.428 1.00 52.41 C ATOM 1414 O GLN A 90 0.619 22.695 -9.178 1.00 44.51 O ATOM 1415 CB GLN A 90 -1.403 20.867 -9.776 1.00 44.23 C ATOM 1416 CG GLN A 90 -0.986 21.102 -11.218 1.00 34.32 C ATOM 1417 CD GLN A 90 -0.341 19.882 -11.846 1.00 60.14 C ATOM 1418 OE1 GLN A 90 -0.910 18.790 -11.836 1.00 71.32 O ATOM 1419 NE2 GLN A 90 0.854 20.061 -12.395 1.00 43.22 N ATOM 0 H GLN A 90 -1.711 19.931 -7.467 1.00 2.51 H new ATOM 0 HA GLN A 90 0.442 19.827 -9.405 1.00 51.40 H new ATOM 0 HB2 GLN A 90 -2.157 20.080 -9.748 1.00 44.23 H new ATOM 0 HB3 GLN A 90 -1.872 21.772 -9.390 1.00 44.23 H new ATOM 0 HG2 GLN A 90 -1.860 21.388 -11.803 1.00 34.32 H new ATOM 0 HG3 GLN A 90 -0.288 21.938 -11.259 1.00 34.32 H new ATOM 0 HE21 GLN A 90 1.289 20.984 -12.381 1.00 43.22 H new ATOM 0 HE22 GLN A 90 1.338 19.276 -12.831 1.00 43.22 H new ATOM 1428 N ARG A 91 1.065 21.689 -7.214 1.00 73.20 N ATOM 1429 CA ARG A 91 1.819 22.818 -6.683 1.00 43.13 C ATOM 1430 C ARG A 91 0.925 24.044 -6.524 1.00 13.23 C ATOM 1431 O ARG A 91 1.349 25.171 -6.781 1.00 41.25 O ATOM 1432 CB ARG A 91 2.998 23.148 -7.600 1.00 24.12 C ATOM 1433 CG ARG A 91 4.300 23.393 -6.855 1.00 54.55 C ATOM 1434 CD ARG A 91 4.939 22.088 -6.407 1.00 21.20 C ATOM 1435 NE ARG A 91 5.492 22.184 -5.059 1.00 42.44 N ATOM 1436 CZ ARG A 91 6.263 21.249 -4.512 1.00 74.11 C ATOM 1437 NH1 ARG A 91 6.569 20.156 -5.195 1.00 2.44 N ATOM 1438 NH2 ARG A 91 6.727 21.409 -3.279 1.00 4.41 N ATOM 0 H ARG A 91 0.996 20.892 -6.581 1.00 73.20 H new ATOM 0 HA ARG A 91 2.199 22.538 -5.700 1.00 43.13 H new ATOM 0 HB2 ARG A 91 3.141 22.328 -8.303 1.00 24.12 H new ATOM 0 HB3 ARG A 91 2.754 24.033 -8.188 1.00 24.12 H new ATOM 0 HG2 ARG A 91 4.992 23.936 -7.498 1.00 54.55 H new ATOM 0 HG3 ARG A 91 4.110 24.024 -5.986 1.00 54.55 H new ATOM 0 HD2 ARG A 91 4.196 21.291 -6.438 1.00 21.20 H new ATOM 0 HD3 ARG A 91 5.730 21.813 -7.105 1.00 21.20 H new ATOM 0 HE ARG A 91 5.275 23.014 -4.507 1.00 42.44 H new ATOM 0 HH11 ARG A 91 6.213 20.030 -6.143 1.00 2.44 H new ATOM 0 HH12 ARG A 91 7.161 19.440 -4.773 1.00 2.44 H new ATOM 0 HH21 ARG A 91 6.492 22.249 -2.751 1.00 4.41 H new ATOM 0 HH22 ARG A 91 7.318 20.692 -2.860 1.00 4.41 H new ATOM 1452 N ILE A 92 -0.314 23.816 -6.101 1.00 51.14 N ATOM 1453 CA ILE A 92 -1.266 24.901 -5.908 1.00 35.43 C ATOM 1454 C ILE A 92 -1.654 25.039 -4.439 1.00 1.25 C ATOM 1455 O ILE A 92 -1.992 24.055 -3.781 1.00 3.43 O ATOM 1456 CB ILE A 92 -2.542 24.687 -6.745 1.00 25.11 C ATOM 1457 CG1 ILE A 92 -2.178 24.400 -8.204 1.00 44.44 C ATOM 1458 CG2 ILE A 92 -3.449 25.904 -6.650 1.00 41.15 C ATOM 1459 CD1 ILE A 92 -3.363 23.998 -9.054 1.00 5.21 C ATOM 0 H ILE A 92 -0.681 22.889 -5.886 1.00 51.14 H new ATOM 0 HA ILE A 92 -0.772 25.815 -6.239 1.00 35.43 H new ATOM 0 HB ILE A 92 -3.080 23.826 -6.347 1.00 25.11 H new ATOM 0 HG12 ILE A 92 -1.716 25.287 -8.636 1.00 44.44 H new ATOM 0 HG13 ILE A 92 -1.433 23.605 -8.235 1.00 44.44 H new ATOM 0 HG21 ILE A 92 -4.346 25.737 -7.247 1.00 41.15 H new ATOM 0 HG22 ILE A 92 -3.731 26.068 -5.610 1.00 41.15 H new ATOM 0 HG23 ILE A 92 -2.922 26.781 -7.025 1.00 41.15 H new ATOM 0 HD11 ILE A 92 -3.031 23.810 -10.075 1.00 5.21 H new ATOM 0 HD12 ILE A 92 -3.813 23.093 -8.646 1.00 5.21 H new ATOM 0 HD13 ILE A 92 -4.100 24.801 -9.054 1.00 5.21 H new ATOM 1471 N ASP A 93 -1.603 26.266 -3.933 1.00 53.42 N ATOM 1472 CA ASP A 93 -1.952 26.534 -2.543 1.00 54.44 C ATOM 1473 C ASP A 93 -3.085 27.551 -2.453 1.00 72.34 C ATOM 1474 O ASP A 93 -2.969 28.567 -1.766 1.00 44.23 O ATOM 1475 CB ASP A 93 -0.730 27.044 -1.778 1.00 44.13 C ATOM 1476 CG ASP A 93 -1.005 27.219 -0.297 1.00 61.44 C ATOM 1477 OD1 ASP A 93 -1.871 26.493 0.236 1.00 63.53 O ATOM 1478 OD2 ASP A 93 -0.355 28.082 0.329 1.00 11.32 O ATOM 0 H ASP A 93 -1.323 27.091 -4.464 1.00 53.42 H new ATOM 0 HA ASP A 93 -2.290 25.601 -2.093 1.00 54.44 H new ATOM 0 HB2 ASP A 93 0.096 26.345 -1.911 1.00 44.13 H new ATOM 0 HB3 ASP A 93 -0.412 27.997 -2.201 1.00 44.13 H new ATOM 1483 N VAL A 94 -4.181 27.272 -3.150 1.00 20.34 N ATOM 1484 CA VAL A 94 -5.336 28.163 -3.150 1.00 44.12 C ATOM 1485 C VAL A 94 -5.528 28.812 -1.784 1.00 45.33 C ATOM 1486 O VAL A 94 -5.321 28.178 -0.748 1.00 74.32 O ATOM 1487 CB VAL A 94 -6.624 27.411 -3.535 1.00 74.42 C ATOM 1488 CG1 VAL A 94 -6.609 27.047 -5.011 1.00 53.43 C ATOM 1489 CG2 VAL A 94 -6.795 26.171 -2.671 1.00 3.11 C ATOM 0 H VAL A 94 -4.294 26.435 -3.723 1.00 20.34 H new ATOM 0 HA VAL A 94 -5.140 28.937 -3.892 1.00 44.12 H new ATOM 0 HB VAL A 94 -7.475 28.068 -3.358 1.00 74.42 H new ATOM 0 HG11 VAL A 94 -7.527 26.516 -5.264 1.00 53.43 H new ATOM 0 HG12 VAL A 94 -6.538 27.956 -5.609 1.00 53.43 H new ATOM 0 HG13 VAL A 94 -5.751 26.408 -5.219 1.00 53.43 H new ATOM 0 HG21 VAL A 94 -7.710 25.652 -2.957 1.00 3.11 H new ATOM 0 HG22 VAL A 94 -5.942 25.508 -2.814 1.00 3.11 H new ATOM 0 HG23 VAL A 94 -6.856 26.464 -1.623 1.00 3.11 H new ATOM 1499 N LYS A 95 -5.924 30.080 -1.789 1.00 72.55 N ATOM 1500 CA LYS A 95 -6.146 30.818 -0.549 1.00 2.25 C ATOM 1501 C LYS A 95 -7.181 30.115 0.323 1.00 13.14 C ATOM 1502 O LYS A 95 -7.049 30.072 1.546 1.00 41.25 O ATOM 1503 CB LYS A 95 -6.606 32.244 -0.857 1.00 32.42 C ATOM 1504 CG LYS A 95 -5.660 33.313 -0.338 1.00 22.22 C ATOM 1505 CD LYS A 95 -4.624 33.695 -1.384 1.00 73.24 C ATOM 1506 CE LYS A 95 -3.405 34.347 -0.747 1.00 34.34 C ATOM 1507 NZ LYS A 95 -2.507 33.342 -0.114 1.00 31.44 N ATOM 0 H LYS A 95 -6.098 30.619 -2.637 1.00 72.55 H new ATOM 0 HA LYS A 95 -5.203 30.857 -0.003 1.00 2.25 H new ATOM 0 HB2 LYS A 95 -6.713 32.358 -1.936 1.00 32.42 H new ATOM 0 HB3 LYS A 95 -7.593 32.401 -0.421 1.00 32.42 H new ATOM 0 HG2 LYS A 95 -6.230 34.196 -0.049 1.00 22.22 H new ATOM 0 HG3 LYS A 95 -5.157 32.951 0.559 1.00 22.22 H new ATOM 0 HD2 LYS A 95 -4.317 32.806 -1.935 1.00 73.24 H new ATOM 0 HD3 LYS A 95 -5.069 34.380 -2.106 1.00 73.24 H new ATOM 0 HE2 LYS A 95 -2.852 34.902 -1.505 1.00 34.34 H new ATOM 0 HE3 LYS A 95 -3.729 35.068 0.003 1.00 34.34 H new ATOM 0 HZ1 LYS A 95 -1.648 33.814 0.234 1.00 31.44 H new ATOM 0 HZ2 LYS A 95 -3.000 32.889 0.682 1.00 31.44 H new ATOM 0 HZ3 LYS A 95 -2.245 32.620 -0.815 1.00 31.44 H new ATOM 1521 N ASP A 96 -8.209 29.565 -0.314 1.00 71.11 N ATOM 1522 CA ASP A 96 -9.266 28.862 0.405 1.00 63.11 C ATOM 1523 C ASP A 96 -9.965 27.857 -0.504 1.00 12.44 C ATOM 1524 O ASP A 96 -9.670 27.770 -1.696 1.00 32.44 O ATOM 1525 CB ASP A 96 -10.284 29.859 0.963 1.00 1.35 C ATOM 1526 CG ASP A 96 -10.586 30.982 -0.010 1.00 21.43 C ATOM 1527 OD1 ASP A 96 -11.067 30.689 -1.125 1.00 21.00 O ATOM 1528 OD2 ASP A 96 -10.343 32.155 0.344 1.00 45.21 O ATOM 0 H ASP A 96 -8.333 29.592 -1.326 1.00 71.11 H new ATOM 0 HA ASP A 96 -8.810 28.320 1.233 1.00 63.11 H new ATOM 0 HB2 ASP A 96 -11.208 29.334 1.205 1.00 1.35 H new ATOM 0 HB3 ASP A 96 -9.903 30.280 1.893 1.00 1.35 H new ATOM 1533 N THR A 97 -10.895 27.096 0.067 1.00 21.11 N ATOM 1534 CA THR A 97 -11.635 26.095 -0.691 1.00 72.43 C ATOM 1535 C THR A 97 -12.398 26.733 -1.846 1.00 72.32 C ATOM 1536 O THR A 97 -12.842 26.046 -2.765 1.00 0.21 O ATOM 1537 CB THR A 97 -12.627 25.333 0.207 1.00 11.42 C ATOM 1538 OG1 THR A 97 -11.935 24.741 1.311 1.00 41.42 O ATOM 1539 CG2 THR A 97 -13.350 24.252 -0.583 1.00 11.30 C ATOM 0 H THR A 97 -11.153 27.155 1.052 1.00 21.11 H new ATOM 0 HA THR A 97 -10.902 25.393 -1.088 1.00 72.43 H new ATOM 0 HB THR A 97 -13.364 26.044 0.581 1.00 11.42 H new ATOM 0 HG1 THR A 97 -11.413 25.428 1.776 1.00 41.42 H new ATOM 0 HG21 THR A 97 -14.046 23.727 0.072 1.00 11.30 H new ATOM 0 HG22 THR A 97 -13.900 24.709 -1.405 1.00 11.30 H new ATOM 0 HG23 THR A 97 -12.623 23.545 -0.982 1.00 11.30 H new ATOM 1547 N LYS A 98 -12.546 28.053 -1.794 1.00 50.20 N ATOM 1548 CA LYS A 98 -13.254 28.785 -2.837 1.00 61.41 C ATOM 1549 C LYS A 98 -12.381 28.944 -4.078 1.00 71.54 C ATOM 1550 O LYS A 98 -12.769 28.544 -5.175 1.00 3.40 O ATOM 1551 CB LYS A 98 -13.683 30.161 -2.321 1.00 44.13 C ATOM 1552 CG LYS A 98 -15.188 30.365 -2.311 1.00 13.34 C ATOM 1553 CD LYS A 98 -15.618 31.389 -3.349 1.00 51.03 C ATOM 1554 CE LYS A 98 -16.893 32.105 -2.929 1.00 4.51 C ATOM 1555 NZ LYS A 98 -16.609 33.280 -2.059 1.00 0.15 N ATOM 0 H LYS A 98 -12.185 28.637 -1.040 1.00 50.20 H new ATOM 0 HA LYS A 98 -14.141 28.214 -3.110 1.00 61.41 H new ATOM 0 HB2 LYS A 98 -13.300 30.296 -1.310 1.00 44.13 H new ATOM 0 HB3 LYS A 98 -13.225 30.931 -2.941 1.00 44.13 H new ATOM 0 HG2 LYS A 98 -15.686 29.416 -2.507 1.00 13.34 H new ATOM 0 HG3 LYS A 98 -15.505 30.693 -1.321 1.00 13.34 H new ATOM 0 HD2 LYS A 98 -14.821 32.118 -3.495 1.00 51.03 H new ATOM 0 HD3 LYS A 98 -15.776 30.894 -4.307 1.00 51.03 H new ATOM 0 HE2 LYS A 98 -17.435 32.433 -3.816 1.00 4.51 H new ATOM 0 HE3 LYS A 98 -17.542 31.409 -2.398 1.00 4.51 H new ATOM 0 HZ1 LYS A 98 -17.486 33.586 -1.591 1.00 0.15 H new ATOM 0 HZ2 LYS A 98 -15.906 33.017 -1.339 1.00 0.15 H new ATOM 0 HZ3 LYS A 98 -16.236 34.059 -2.638 1.00 0.15 H new ATOM 1569 N GLU A 99 -11.202 29.532 -3.895 1.00 54.25 N ATOM 1570 CA GLU A 99 -10.276 29.743 -5.000 1.00 0.22 C ATOM 1571 C GLU A 99 -9.911 28.419 -5.665 1.00 3.43 C ATOM 1572 O GLU A 99 -9.434 28.391 -6.799 1.00 24.41 O ATOM 1573 CB GLU A 99 -9.009 30.444 -4.506 1.00 20.31 C ATOM 1574 CG GLU A 99 -8.280 31.219 -5.591 1.00 24.34 C ATOM 1575 CD GLU A 99 -7.506 32.403 -5.044 1.00 55.44 C ATOM 1576 OE1 GLU A 99 -6.491 32.180 -4.352 1.00 4.35 O ATOM 1577 OE2 GLU A 99 -7.917 33.552 -5.306 1.00 75.12 O ATOM 0 H GLU A 99 -10.867 29.870 -2.993 1.00 54.25 H new ATOM 0 HA GLU A 99 -10.769 30.376 -5.737 1.00 0.22 H new ATOM 0 HB2 GLU A 99 -9.273 31.127 -3.698 1.00 20.31 H new ATOM 0 HB3 GLU A 99 -8.332 29.700 -4.086 1.00 20.31 H new ATOM 0 HG2 GLU A 99 -7.594 30.550 -6.111 1.00 24.34 H new ATOM 0 HG3 GLU A 99 -9.002 31.571 -6.328 1.00 24.34 H new ATOM 1584 N ALA A 100 -10.139 27.322 -4.950 1.00 42.53 N ATOM 1585 CA ALA A 100 -9.836 25.994 -5.469 1.00 62.01 C ATOM 1586 C ALA A 100 -10.799 25.608 -6.587 1.00 52.35 C ATOM 1587 O ALA A 100 -10.428 24.901 -7.524 1.00 23.14 O ATOM 1588 CB ALA A 100 -9.883 24.965 -4.349 1.00 51.00 C ATOM 0 H ALA A 100 -10.533 27.327 -4.009 1.00 42.53 H new ATOM 0 HA ALA A 100 -8.829 26.015 -5.885 1.00 62.01 H new ATOM 0 HB1 ALA A 100 -9.655 23.978 -4.752 1.00 51.00 H new ATOM 0 HB2 ALA A 100 -9.149 25.224 -3.586 1.00 51.00 H new ATOM 0 HB3 ALA A 100 -10.879 24.955 -3.906 1.00 51.00 H new ATOM 1594 N LEU A 101 -12.038 26.076 -6.479 1.00 12.05 N ATOM 1595 CA LEU A 101 -13.057 25.779 -7.481 1.00 72.30 C ATOM 1596 C LEU A 101 -12.885 26.664 -8.712 1.00 72.25 C ATOM 1597 O LEU A 101 -13.296 26.300 -9.813 1.00 73.15 O ATOM 1598 CB LEU A 101 -14.454 25.974 -6.890 1.00 71.15 C ATOM 1599 CG LEU A 101 -15.003 24.807 -6.067 1.00 31.33 C ATOM 1600 CD1 LEU A 101 -16.260 25.226 -5.321 1.00 62.43 C ATOM 1601 CD2 LEU A 101 -15.286 23.610 -6.963 1.00 71.44 C ATOM 0 H LEU A 101 -12.361 26.662 -5.709 1.00 12.05 H new ATOM 0 HA LEU A 101 -12.940 24.739 -7.785 1.00 72.30 H new ATOM 0 HB2 LEU A 101 -14.439 26.862 -6.259 1.00 71.15 H new ATOM 0 HB3 LEU A 101 -15.148 26.175 -7.707 1.00 71.15 H new ATOM 0 HG LEU A 101 -14.250 24.517 -5.334 1.00 31.33 H new ATOM 0 HD11 LEU A 101 -16.637 24.384 -4.741 1.00 62.43 H new ATOM 0 HD12 LEU A 101 -16.026 26.053 -4.650 1.00 62.43 H new ATOM 0 HD13 LEU A 101 -17.019 25.542 -6.036 1.00 62.43 H new ATOM 0 HD21 LEU A 101 -15.676 22.789 -6.361 1.00 71.44 H new ATOM 0 HD22 LEU A 101 -16.021 23.887 -7.719 1.00 71.44 H new ATOM 0 HD23 LEU A 101 -14.364 23.295 -7.452 1.00 71.44 H new ATOM 1613 N ASP A 102 -12.274 27.827 -8.516 1.00 72.12 N ATOM 1614 CA ASP A 102 -12.045 28.765 -9.609 1.00 1.53 C ATOM 1615 C ASP A 102 -10.742 28.444 -10.336 1.00 40.52 C ATOM 1616 O ASP A 102 -10.629 28.637 -11.546 1.00 22.31 O ATOM 1617 CB ASP A 102 -12.008 30.199 -9.082 1.00 51.11 C ATOM 1618 CG ASP A 102 -13.022 31.094 -9.768 1.00 72.53 C ATOM 1619 OD1 ASP A 102 -14.179 30.658 -9.937 1.00 11.54 O ATOM 1620 OD2 ASP A 102 -12.657 32.231 -10.136 1.00 0.20 O ATOM 0 H ASP A 102 -11.928 28.143 -7.610 1.00 72.12 H new ATOM 0 HA ASP A 102 -12.869 28.668 -10.316 1.00 1.53 H new ATOM 0 HB2 ASP A 102 -12.199 30.194 -8.009 1.00 51.11 H new ATOM 0 HB3 ASP A 102 -11.009 30.610 -9.226 1.00 51.11 H new ATOM 1625 N LYS A 103 -9.760 27.951 -9.588 1.00 22.43 N ATOM 1626 CA LYS A 103 -8.464 27.603 -10.158 1.00 4.35 C ATOM 1627 C LYS A 103 -8.571 26.355 -11.030 1.00 74.15 C ATOM 1628 O LYS A 103 -7.949 26.271 -12.089 1.00 0.31 O ATOM 1629 CB LYS A 103 -7.438 27.374 -9.046 1.00 21.42 C ATOM 1630 CG LYS A 103 -5.998 27.413 -9.529 1.00 13.14 C ATOM 1631 CD LYS A 103 -5.582 28.820 -9.926 1.00 1.02 C ATOM 1632 CE LYS A 103 -4.715 29.467 -8.856 1.00 13.43 C ATOM 1633 NZ LYS A 103 -5.533 30.193 -7.845 1.00 51.42 N ATOM 0 H LYS A 103 -9.838 27.784 -8.585 1.00 22.43 H new ATOM 0 HA LYS A 103 -8.135 28.434 -10.781 1.00 4.35 H new ATOM 0 HB2 LYS A 103 -7.575 28.133 -8.275 1.00 21.42 H new ATOM 0 HB3 LYS A 103 -7.630 26.408 -8.580 1.00 21.42 H new ATOM 0 HG2 LYS A 103 -5.339 27.046 -8.742 1.00 13.14 H new ATOM 0 HG3 LYS A 103 -5.881 26.744 -10.381 1.00 13.14 H new ATOM 0 HD2 LYS A 103 -5.035 28.787 -10.868 1.00 1.02 H new ATOM 0 HD3 LYS A 103 -6.470 29.429 -10.094 1.00 1.02 H new ATOM 0 HE2 LYS A 103 -4.119 28.701 -8.359 1.00 13.43 H new ATOM 0 HE3 LYS A 103 -4.017 30.161 -9.324 1.00 13.43 H new ATOM 0 HZ1 LYS A 103 -4.905 30.648 -7.152 1.00 51.42 H new ATOM 0 HZ2 LYS A 103 -6.108 30.918 -8.320 1.00 51.42 H new ATOM 0 HZ3 LYS A 103 -6.158 29.520 -7.356 1.00 51.42 H new